data_4pdz_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 4pdz _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 43.0 mtt . . . . . 0 C--O 1.238 0.494 0 CA-C-O 121.014 0.435 . . . . 56.72 112.037 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.3 p -71.26 170.42 13.11 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.693 0.797 . . . . 40.18 109.626 175.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.23 -37.79 88.73 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 118.623 -1.231 . . . . 56.47 111.787 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.15 -39.56 94.27 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.764 -0.458 . . . . 33.49 109.764 177.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -67.02 -43.19 83.49 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 114.956 1.465 . . . . 39.23 114.956 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -58.3 -38.24 76.65 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.982 -0.377 . . . . 57.77 109.982 173.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.57 89.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 119.805 -0.758 . . . . 33.78 111.014 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.8 t -57.9 -46.97 87.42 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 109.06 -0.718 . . . . 35.48 109.06 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.05 -42.33 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 113.391 0.886 . . . . 37.61 113.391 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.97 81.74 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.02 0.748 . . . . 37.31 113.02 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.6 mt -62.58 -44.32 96.62 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 121.508 0.671 . . . . 33.29 110.375 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.07 -41.12 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.552 -0.749 . . . . 37.46 109.361 175.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.19 -51.51 63.43 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.776 0.83 . . . . 49.39 112.74 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.24 -42.42 96.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 115.252 -0.886 . . . . 37.09 112.711 179.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.79 -49.17 78.74 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 120.005 -0.678 . . . . 37.64 110.347 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -56.72 -45.71 81.73 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.255 -0.884 . . . . 54.45 110.89 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -54.24 -50.0 68.17 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 123.559 0.537 . . . . 48.62 111.799 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . 0.467 ' OH ' ' OE2' ' A' ' 39' ' ' GLU . 55.8 m-85 -81.89 -34.76 29.83 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 120.447 -0.501 . . . . 40.4 112.109 -174.973 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.7 p -70.79 -29.32 65.48 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.073 -0.651 . . . . 38.75 111.942 -177.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.44 11.86 60.19 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 115.214 0.846 . . . . 40.98 115.214 -176.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -80.42 -50.34 10.23 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.213 -0.581 . . . . 43.84 111.572 -179.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . 0.745 ' OE2' ' O ' ' A' ' 202' ' ' HOH . 49.6 mt-10 -136.66 150.86 48.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.123 -0.631 . . . . 54.54 112.213 -171.774 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.34 -137.47 49.36 Favored Glycine 0 C--O 1.239 0.425 0 CA-C-N 116.308 -0.405 . . . . 44.84 112.519 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -50.22 115.86 1.61 Allowed 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.527 -0.546 . . . . 49.88 109.527 168.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -74.86 -10.34 59.41 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.652 0.982 . . . . 51.25 113.652 -179.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -107.31 10.11 29.82 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 113.771 1.026 . . . . 55.23 113.771 -178.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -141.39 158.66 43.58 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.318 0.386 . . . . 50.63 111.412 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.0 mt -102.51 115.71 31.14 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.574 -0.528 . . . . 33.11 109.574 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -77.31 172.92 12.53 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.007 -1.109 . . . . 54.62 108.007 169.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -50.5 -46.37 57.02 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 114.884 1.438 . . . . 43.43 114.884 -179.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -63.46 -37.47 87.43 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.284 0.564 . . . . 37.48 111.082 -176.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -71.2 -43.78 66.73 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.391 -1.277 . . . . 39.49 111.241 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.1 tp -64.56 -41.85 96.04 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.698 -0.853 . . . . 32.57 108.698 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -57.72 -49.05 77.84 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.377 0.881 . . . . 48.7 113.377 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -69.14 -37.79 78.48 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.387 0.884 . . . . 50.7 113.387 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.26 -48.36 76.73 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.183 -0.673 . . . . 30.04 109.183 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -62.92 -44.73 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 120.619 -0.432 . . . . 32.86 111.719 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -69.36 -38.4 78.08 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 115.054 1.502 . . . . 38.17 115.054 -176.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -88.55 -32.86 17.95 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 113.987 1.106 . . . . 37.12 113.987 -178.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' OH ' ' A' ' 17' ' ' TYR . 36.5 mm-40 -111.67 -14.28 13.64 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 114.741 1.386 . . . . 40.93 114.741 -168.168 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -124.07 32.01 5.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.94 0.4 . . . . 31.7 110.803 179.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.0 p -67.15 -20.66 65.78 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 115.615 -0.721 . . . . 36.5 112.792 -171.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -91.63 -5.21 54.25 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 112.635 0.605 . . . . 42.37 112.635 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -115.79 -33.89 4.99 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 114.223 1.194 . . . . 42.2 114.223 -176.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -125.89 143.73 50.96 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.598 -0.519 . . . . 37.72 109.598 -175.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 232' ' ' HOH . 58.5 mt-10 -62.8 136.24 57.76 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.271 -0.641 . . . . 53.74 109.271 176.33 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -53.05 132.02 37.28 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.848 -0.615 . . . . 48.88 111.37 178.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.5 mt -83.73 118.48 31.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 116.266 -0.425 . . . . 37.54 109.932 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -126.7 8.7 6.96 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.741 0.645 . . . . 53.42 112.741 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -130.82 141.01 50.31 Favored 'General case' 0 CA--C 1.507 -0.698 0 C-N-CA 120.355 -0.538 . . . . 56.75 111.144 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . 0.771 ' OE1' ' O ' ' A' ' 227' ' ' HOH . 69.9 tp60 -62.08 -36.11 80.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 46.84 110.218 178.987 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -62.52 -33.89 75.81 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.139 -0.625 . . . . 53.73 111.183 179.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.6 t -73.42 -46.43 49.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.099 -0.5 . . . . 36.75 110.841 -177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.81 -32.51 58.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 118.902 -1.119 . . . . 42.22 110.623 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -65.24 -41.83 93.95 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 116.751 -0.204 . . . . 37.49 110.943 174.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.03 -40.5 78.59 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.444 -0.502 . . . . 46.17 111.015 -178.26 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.01 -47.45 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 39.59 110.101 178.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.5 tpp -65.37 -40.2 93.24 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.542 0.942 . . . . 40.94 113.542 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . 0.832 ' OE2' ' O ' ' A' ' 201' ' ' HOH . 73.1 mt-10 -57.58 -42.51 83.27 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.225 0.536 . . . . 46.98 110.228 177.219 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -63.18 -47.61 81.89 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.599 -0.728 . . . . 47.57 112.185 179.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.1 mt -80.99 -26.74 36.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.502 1.297 . . . . 44.29 114.502 -173.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -83.19 88.42 6.91 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 118.147 -1.421 . . . . 52.36 114.404 -174.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.0 m -70.73 -27.25 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.879 -1.055 . . . . 55.24 113.819 -176.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -91.73 -30.76 16.09 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.045 -1.062 . . . . 62.43 110.727 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . 0.695 ' O ' ' O ' ' A' ' 203' ' ' HOH . . . 105.8 3.13 39.91 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 117.774 1.87 . . . . 54.12 117.774 171.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -75.88 10.17 1.99 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.355 1.243 . . . . 53.13 114.355 -177.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.14 -0.48 79.35 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 115.669 1.028 . . . . 48.38 115.669 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -127.29 170.79 12.09 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.086 -0.338 . . . . 49.8 110.086 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 50.2 t -110.73 110.7 21.46 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.0 -0.545 . . . . 38.49 109.671 179.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.1 p30 -82.44 177.9 8.5 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 123.166 0.291 . . . . 49.2 111.391 177.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.9 -37.41 82.11 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 119.013 -1.075 . . . . 41.49 112.845 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -69.8 -33.51 72.46 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.734 -0.666 . . . . 56.63 110.895 -175.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -74.96 -35.1 62.12 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 115.721 -0.672 . . . . 45.84 110.454 175.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.19 -44.69 94.69 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.592 -0.731 . . . . 35.39 110.976 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.66 -34.95 76.61 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.42 0.896 . . . . 43.89 113.42 174.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.81 88.82 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 120.488 -0.485 . . . . 38.21 110.619 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -63.96 -47.4 80.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.86 0.362 . . . . 33.32 110.051 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.1 t -60.51 -41.63 88.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 119.887 -0.725 . . . . 32.22 110.529 177.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.91 -45.7 86.1 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.831 1.048 . . . . 37.33 113.831 177.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.2 mtt -58.54 -44.96 89.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 119.275 -0.97 . . . . 72.72 113.253 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.88 -51.13 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.328 0.585 . . . . 38.35 109.689 -176.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.4 p -64.78 -39.8 94.21 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.277 0.843 . . . . 38.34 113.277 -176.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.2 m -66.62 -42.44 86.8 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.732 -0.667 . . . . 42.84 110.766 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.67 87.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.645 0.239 . . . . 42.28 111.645 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 72.7 m -70.7 -40.45 72.86 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.783 -0.367 . . . . 40.18 111.015 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.58 -44.22 96.87 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.344 -0.844 . . . . 42.41 111.363 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -63.22 -30.73 71.81 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 119.704 -0.798 . . . . 58.92 111.556 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -68.22 -48.17 65.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.792 0.664 . . . . 53.63 112.792 178.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -82.56 -24.23 34.1 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 117.345 2.35 . . . . 54.13 117.345 -176.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.881 0.372 . . . . 55.26 110.741 -178.644 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 62.8 p . . . . . 0 N--CA 1.466 0.343 0 CA-C-O 120.436 0.16 . . . . 43.15 110.697 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.12 -38.13 89.96 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.301 0.852 . . . . 56.71 113.301 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.76 -39.13 93.1 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.295 -0.562 . . . . 35.94 110.25 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -67.7 -43.5 79.92 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.008 -0.677 . . . . 37.49 111.239 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -57.72 -39.75 77.99 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.563 -0.744 . . . . 49.39 111.426 174.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.56 92.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.044 0.387 . . . . 33.06 112.044 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 20.3 t -58.26 -45.73 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.507 -0.477 . . . . 32.26 109.965 177.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.33 -40.26 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.216 0.45 . . . . 33.21 112.216 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.03 86.4 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 112.595 0.591 . . . . 33.43 112.595 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.78 -44.6 92.91 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.18 0.514 . . . . 32.71 111.696 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.44 -43.14 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.916 -0.584 . . . . 37.93 111.203 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -67.45 -47.9 68.78 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 113.923 1.082 . . . . 50.54 113.923 -177.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.36 -41.23 89.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 120.043 -0.663 . . . . 37.05 111.388 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.58 -48.99 79.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 118.597 -1.241 . . . . 38.12 111.057 176.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -57.93 -43.96 86.62 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.269 0.557 . . . . 49.11 110.271 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -53.29 -50.93 63.88 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.238 1.015 . . . . 41.31 111.797 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -83.07 -36.0 25.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.865 0.691 . . . . 37.71 112.865 -175.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.9 p -69.81 -30.71 68.3 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.739 -0.785 . . . . 38.74 109.973 -178.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.34 12.72 54.21 Favored Glycine 0 C--O 1.242 0.642 0 N-CA-C 114.779 0.672 . . . . 43.5 114.779 -173.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -80.42 -48.27 13.14 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 119.261 -0.976 . . . . 41.4 111.844 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -137.95 151.02 47.55 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.847 -0.615 . . . . 53.56 111.237 -168.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.25 -139.9 45.84 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.585 -0.734 . . . . 43.09 112.766 175.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASP . . . . . 0.703 ' OD2' ' O ' ' B' ' 201' ' ' HOH . 27.4 t0 -52.07 117.24 2.64 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 109.105 -0.702 . . . . 46.4 109.105 167.887 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -71.45 -9.14 57.7 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.447 0.906 . . . . 43.74 113.447 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -107.23 10.4 29.92 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.009 1.115 . . . . 48.14 114.009 -177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -141.83 159.17 42.77 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.269 0.556 . . . . 47.79 111.771 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.2 mt -102.74 115.77 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.312 -0.996 . . . . 35.15 108.312 -179.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -78.99 172.22 14.11 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.991 -1.114 . . . . 47.92 107.991 169.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -50.59 -46.63 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.096 0.776 . . . . 44.83 113.096 -178.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -63.94 -36.11 82.88 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.693 0.627 . . . . 37.83 112.693 -178.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -70.99 -41.1 71.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 121.011 -0.275 . . . . 37.82 111.455 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.57 -43.13 90.74 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.397 -0.594 . . . . 36.09 109.397 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -57.57 -47.52 81.86 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.748 -0.66 . . . . 47.82 111.153 178.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -66.93 -38.5 86.29 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.288 0.848 . . . . 44.82 113.288 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.72 -48.06 80.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.963 -0.384 . . . . 31.47 109.963 175.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.94 -46.61 91.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-O 121.49 0.662 . . . . 31.99 110.919 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASN . . . . . 0.588 ' ND2' ' O ' ' B' ' 203' ' ' HOH . 44.2 m-20 -67.72 -39.98 84.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.489 0.922 . . . . 36.15 113.489 -176.719 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -86.87 -33.5 19.76 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 114.491 1.293 . . . . 34.03 114.491 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -112.06 -13.47 13.56 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 115.358 1.614 . . . . 35.98 115.358 -168.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -125.48 31.25 5.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.073 -0.651 . . . . 32.52 111.807 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 83.5 p -67.65 -20.18 65.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 114.063 1.135 . . . . 36.75 114.063 -173.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -88.79 -8.27 54.7 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.13 -1.028 . . . . 47.07 112.711 177.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -115.49 -31.78 5.79 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.421 0.897 . . . . 39.53 113.421 -177.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -125.25 142.59 51.41 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.684 -0.858 . . . . 38.94 108.684 -176.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.45 138.0 58.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.105 0.878 . . . . 53.97 109.583 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -54.28 135.11 44.95 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.361 0.6 . . . . 48.08 111.827 176.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 58.9 mt -84.61 121.02 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.188 -0.671 . . . . 37.6 109.188 176.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -124.36 7.96 8.42 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.984 1.475 . . . . 52.18 114.984 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -137.38 146.17 44.16 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.003 0.372 . . . . 45.41 112.003 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -58.51 -36.45 73.82 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.249 0.462 . . . . 54.13 112.249 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -59.64 -35.01 73.54 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.248 -0.433 . . . . 48.49 110.004 -177.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 77.0 t -73.93 -45.16 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 112.743 0.646 . . . . 40.48 112.743 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.9 p -65.81 -31.94 55.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 118.454 -1.298 . . . . 43.73 110.97 178.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.5 -45.17 94.24 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.187 0.518 . . . . 43.95 110.757 175.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LYS . . . . . 0.682 ' NZ ' ' O ' ' B' ' 202' ' ' HOH . 2.0 ttpt -71.93 -37.21 70.06 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.43 -0.908 . . . . 52.24 111.154 -177.971 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.57 -46.81 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.427 0.455 . . . . 40.85 110.875 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 57.9 tpp -63.78 -39.23 93.76 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 119.798 -0.761 . . . . 41.57 111.728 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -57.48 -42.86 83.47 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.242 0.544 . . . . 56.57 110.705 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -64.07 -46.05 86.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.436 -0.802 . . . . 45.02 112.518 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.6 mt -83.15 -24.06 32.68 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.326 1.602 . . . . 43.93 115.326 -175.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -80.58 84.47 6.16 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.407 0.622 . . . . 49.71 111.45 -176.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -72.46 -25.32 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.306 0.854 . . . . 49.21 113.306 -175.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -93.93 -32.08 14.03 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.284 1.216 . . . . 57.5 114.284 -178.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.76 2.85 40.05 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.742 -0.742 . . . . 50.25 113.518 174.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.32 9.11 2.26 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.015 1.117 . . . . 49.47 114.015 -178.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.37 -1.13 66.42 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 115.042 0.777 . . . . 45.9 115.042 176.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -130.59 169.77 15.16 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.129 0.788 . . . . 45.03 113.129 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 50.2 t -106.84 109.84 21.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.979 -1.119 . . . . 37.38 107.979 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -83.72 -179.42 7.3 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.411 -0.359 . . . . 42.14 110.056 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -63.97 -37.26 86.76 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 115.497 1.666 . . . . 37.71 115.497 -174.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -71.68 -31.18 66.51 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 118.205 -1.398 . . . . 52.34 109.734 -177.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -69.98 -35.36 74.37 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.123 -1.066 . . . . 45.15 108.123 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -65.2 -46.68 79.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.503 -0.771 . . . . 32.67 110.566 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 74.9 mmm -61.16 -33.58 73.65 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 119.461 -0.896 . . . . 41.87 113.28 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.02 93.48 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.9 0.857 . . . . 37.71 109.424 175.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -63.66 -49.05 74.74 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.71 -1.132 . . . . 36.47 110.894 175.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 50.9 t -58.96 -41.81 84.24 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 N-CA-C 108.265 -1.013 . . . . 31.69 108.265 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.65 -41.44 81.46 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.926 1.084 . . . . 35.98 113.926 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.4 mtt -59.21 -49.76 76.6 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.375 0.67 . . . . 47.39 109.903 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.7 -49.0 82.34 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 CA-C-O 121.817 0.818 . . . . 35.26 112.939 -178.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 75.8 p -65.02 -42.0 94.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.011 -0.675 . . . . 36.91 112.134 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -64.51 -42.17 95.96 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.572 0.545 . . . . 42.55 110.609 179.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.15 80.97 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 123.529 0.518 . . . . 40.68 111.295 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 30.3 t -73.22 -38.15 66.17 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.222 -0.444 . . . . 40.99 111.633 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' HIS . . . . . 0.794 ' ND1' ' O ' ' B' ' 237' ' ' HOH . 24.3 t-80 -65.54 -44.55 86.5 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.255 -0.578 . . . . 47.16 110.013 179.43 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.4 -27.56 67.56 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.98 0.912 . . . . 57.89 112.676 176.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -62.08 -40.81 97.07 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 54.82 110.745 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -75.44 -23.34 56.91 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.111 -0.636 . . . . 59.41 111.067 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.227 0.537 . . . . 57.96 111.075 175.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' CTI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.832 ' O ' ' OE2' ' A' ' 58' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.745 ' O ' ' OE2' ' A' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . 0.695 ' O ' ' O ' ' A' ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . 0.771 ' O ' ' OE1' ' A' ' 50' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . 0.468 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . 0.703 ' O ' ' OD2' ' B' ' 23' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . 0.682 ' O ' ' NZ ' ' B' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . 0.588 ' O ' ' ND2' ' B' ' 37' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' HOH . . . . . 0.794 ' O ' ' ND1' ' B' ' 85' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 43.0 mtt . . . . . 0 C--O 1.238 0.494 0 CA-C-O 121.014 0.435 . . . . 56.719999999999999 112.037 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.3 p -71.26 170.42 13.11 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.693 0.797 . . . . 40.18 109.626 175.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.23 -37.79 88.73 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 118.623 -1.231 . . . . 56.469999999999999 111.787 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.15 -39.56 94.27 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.764 -0.458 . . . . 33.490000000000002 109.764 177.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' HG2' ' CE2' ' B' ' 43' ' ' PHE . 77.7 mt-10 -67.02 -43.19 83.49 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 114.956 1.465 . . . . 39.229999999999997 114.956 179.209 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -58.3 -38.24 76.65 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.982 -0.377 . . . . 57.770000000000003 109.982 173.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.57 89.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 119.805 -0.758 . . . . 33.780000000000001 111.014 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . 0.72 HG13 HG22 ' B' ' 81' ' ' THR . 24.8 t -57.9 -46.97 87.42 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 109.06 -0.718 . . . . 35.479999999999997 109.06 178.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.05 -42.33 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 113.391 0.886 . . . . 37.609999999999999 113.391 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.97 81.74 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.02 0.748 . . . . 37.310000000000002 113.02 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.6 mt -62.58 -44.32 96.62 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 121.508 0.671 . . . . 33.289999999999999 110.375 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.07 -41.12 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.552 -0.749 . . . . 37.460000000000001 109.361 175.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.19 -51.51 63.43 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.776 0.83 . . . . 49.390000000000001 112.74 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.24 -42.42 96.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 115.252 -0.886 . . . . 37.090000000000003 112.711 179.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.79 -49.17 78.74 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 120.005 -0.678 . . . . 37.640000000000001 110.347 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -56.72 -45.71 81.73 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.255 -0.884 . . . . 54.450000000000003 110.89 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -54.24 -50.0 68.17 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 123.559 0.537 . . . . 48.619999999999997 111.799 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -81.89 -34.76 29.83 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 120.447 -0.501 . . . . 40.399999999999999 112.109 -174.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.7 p -70.79 -29.32 65.48 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.073 -0.651 . . . . 38.75 111.942 -177.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.44 11.86 60.19 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 115.214 0.846 . . . . 40.979999999999997 115.214 -176.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -80.42 -50.34 10.23 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.213 -0.581 . . . . 43.840000000000003 111.572 -179.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.745 ' OE2' ' O ' ' A' ' 202' ' ' HOH . 49.6 mt-10 -136.66 150.86 48.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.123 -0.631 . . . . 54.539999999999999 112.213 -171.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' HD3' ' A' ' 24' ' ' LYS . . . 57.34 -137.47 49.36 Favored Glycine 0 C--O 1.239 0.425 0 CA-C-N 116.308 -0.405 . . . . 44.840000000000003 112.519 174.047 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -50.22 115.86 1.61 Allowed 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.527 -0.546 . . . . 49.880000000000003 109.527 168.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 22' ' ' GLY . 19.8 mmtt -74.86 -10.34 59.41 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.652 0.982 . . . . 51.25 113.652 -179.525 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HIS . . . . . 0.473 ' CE1' ' HG2' ' B' ' 89' ' ' GLU . 28.2 m-70 -107.31 10.11 29.82 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 113.771 1.026 . . . . 55.229999999999997 113.771 -178.792 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -141.39 158.66 43.58 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.318 0.386 . . . . 50.630000000000003 111.412 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.0 mt -102.51 115.71 31.14 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.574 -0.528 . . . . 33.109999999999999 109.574 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -77.31 172.92 12.53 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.007 -1.109 . . . . 54.619999999999997 108.007 169.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -50.5 -46.37 57.02 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 114.884 1.438 . . . . 43.43 114.884 -179.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -63.46 -37.47 87.43 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.284 0.564 . . . . 37.479999999999997 111.082 -176.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -71.2 -43.78 66.73 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.391 -1.277 . . . . 39.490000000000002 111.241 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.1 tp -64.56 -41.85 96.04 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.698 -0.853 . . . . 32.57 108.698 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -57.72 -49.05 77.84 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.377 0.881 . . . . 48.700000000000003 113.377 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -69.14 -37.79 78.48 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.387 0.884 . . . . 50.700000000000003 113.387 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.26 -48.36 76.73 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.183 -0.673 . . . . 30.039999999999999 109.183 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -62.92 -44.73 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 120.619 -0.432 . . . . 32.859999999999999 111.719 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -69.36 -38.4 78.08 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 115.054 1.502 . . . . 38.170000000000002 115.054 -176.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -88.55 -32.86 17.95 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 113.987 1.106 . . . . 37.119999999999997 113.987 -178.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -111.67 -14.28 13.64 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 114.741 1.386 . . . . 40.93 114.741 -168.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -124.07 32.01 5.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.94 0.4 . . . . 31.699999999999999 110.803 179.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.0 p -67.15 -20.66 65.78 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 115.615 -0.721 . . . . 36.5 112.792 -171.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -91.63 -5.21 54.25 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 112.635 0.605 . . . . 42.369999999999997 112.635 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -115.79 -33.89 4.99 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 114.223 1.194 . . . . 42.200000000000003 114.223 -176.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -125.89 143.73 50.96 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.598 -0.519 . . . . 37.719999999999999 109.598 -175.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -62.8 136.24 57.76 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.271 -0.641 . . . . 53.740000000000002 109.271 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -53.05 132.02 37.28 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.848 -0.615 . . . . 48.880000000000003 111.37 178.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.5 mt -83.73 118.48 31.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 116.266 -0.425 . . . . 37.539999999999999 109.932 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -126.7 8.7 6.96 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.741 0.645 . . . . 53.420000000000002 112.741 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -130.82 141.01 50.31 Favored 'General case' 0 CA--C 1.507 -0.698 0 C-N-CA 120.355 -0.538 . . . . 56.75 111.144 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . 0.771 ' OE1' ' O ' ' A' ' 227' ' ' HOH . 69.9 tp60 -62.08 -36.11 80.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 46.840000000000003 110.218 178.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -62.52 -33.89 75.81 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.139 -0.625 . . . . 53.729999999999997 111.183 179.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.6 t -73.42 -46.43 49.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.099 -0.5 . . . . 36.75 110.841 -177.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.81 -32.51 58.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 118.902 -1.119 . . . . 42.219999999999999 110.623 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -65.24 -41.83 93.95 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 116.751 -0.204 . . . . 37.490000000000002 110.943 174.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.03 -40.5 78.59 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.444 -0.502 . . . . 46.170000000000002 111.015 -178.26 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.01 -47.45 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 39.590000000000003 110.101 178.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.5 tpp -65.37 -40.2 93.24 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.542 0.942 . . . . 40.939999999999998 113.542 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . 0.832 ' OE2' ' O ' ' A' ' 201' ' ' HOH . 73.1 mt-10 -57.58 -42.51 83.27 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.225 0.536 . . . . 46.979999999999997 110.228 177.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -63.18 -47.61 81.89 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.599 -0.728 . . . . 47.57 112.185 179.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.1 mt -80.99 -26.74 36.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.502 1.297 . . . . 44.289999999999999 114.502 -173.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -83.19 88.42 6.91 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 118.147 -1.421 . . . . 52.359999999999999 114.404 -174.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.0 m -70.73 -27.25 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.879 -1.055 . . . . 55.240000000000002 113.819 -176.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -91.73 -30.76 16.09 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.045 -1.062 . . . . 62.43 110.727 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . 0.695 ' O ' ' O ' ' A' ' 203' ' ' HOH . . . 105.8 3.13 39.91 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 117.774 1.87 . . . . 54.119999999999997 117.774 171.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -75.88 10.17 1.99 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.355 1.243 . . . . 53.130000000000003 114.355 -177.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.14 -0.48 79.35 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 115.669 1.028 . . . . 48.380000000000003 115.669 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -127.29 170.79 12.09 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.086 -0.338 . . . . 49.799999999999997 110.086 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 50.2 t -110.73 110.7 21.46 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.0 -0.545 . . . . 38.490000000000002 109.671 179.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . 0.539 ' OD1' ' HG2' ' A' ' 71' ' ' GLN . 35.1 p30 -82.44 177.9 8.5 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 123.166 0.291 . . . . 49.200000000000003 111.391 177.17 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.9 -37.41 82.11 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 119.013 -1.075 . . . . 41.490000000000002 112.845 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . 0.539 ' HG2' ' OD1' ' A' ' 69' ' ' ASP . 6.7 pt20 -69.8 -33.51 72.46 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.734 -0.666 . . . . 56.630000000000003 110.895 -175.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -74.96 -35.1 62.12 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 115.721 -0.672 . . . . 45.840000000000003 110.454 175.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.19 -44.69 94.69 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.592 -0.731 . . . . 35.390000000000001 110.976 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.66 -34.95 76.61 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.42 0.896 . . . . 43.890000000000001 113.42 174.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.81 88.82 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 120.488 -0.485 . . . . 38.210000000000001 110.619 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -63.96 -47.4 80.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.86 0.362 . . . . 33.32 110.051 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.1 t -60.51 -41.63 88.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 119.887 -0.725 . . . . 32.219999999999999 110.529 177.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.91 -45.7 86.1 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.831 1.048 . . . . 37.329999999999998 113.831 177.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.2 mtt -58.54 -44.96 89.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 119.275 -0.97 . . . . 72.719999999999999 113.253 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.88 -51.13 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.328 0.585 . . . . 38.350000000000001 109.689 -176.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' THR . . . . . 0.701 HG22 HG13 ' B' ' 7' ' ' VAL . 79.4 p -64.78 -39.8 94.21 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.277 0.843 . . . . 38.340000000000003 113.277 -176.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.2 m -66.62 -42.44 86.8 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.732 -0.667 . . . . 42.840000000000003 110.766 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.67 87.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.645 0.239 . . . . 42.280000000000001 111.645 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 72.7 m -70.7 -40.45 72.86 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.783 -0.367 . . . . 40.18 111.015 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.58 -44.22 96.87 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.344 -0.844 . . . . 42.409999999999997 111.363 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -63.22 -30.73 71.81 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 119.704 -0.798 . . . . 58.920000000000002 111.556 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -68.22 -48.17 65.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.792 0.664 . . . . 53.630000000000003 112.792 178.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -82.56 -24.23 34.1 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 117.345 2.35 . . . . 54.130000000000003 117.345 -176.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.881 0.372 . . . . 55.259999999999998 110.741 -178.644 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 62.8 p . . . . . 0 N--CA 1.466 0.343 0 CA-C-O 120.436 0.16 . . . . 43.149999999999999 110.697 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.12 -38.13 89.96 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.301 0.852 . . . . 56.710000000000001 113.301 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.76 -39.13 93.1 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.295 -0.562 . . . . 35.939999999999998 110.25 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -67.7 -43.5 79.92 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.008 -0.677 . . . . 37.490000000000002 111.239 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -57.72 -39.75 77.99 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.563 -0.744 . . . . 49.390000000000001 111.426 174.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.56 92.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.044 0.387 . . . . 33.060000000000002 112.044 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . 0.701 HG13 HG22 ' A' ' 81' ' ' THR . 20.3 t -58.26 -45.73 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.507 -0.477 . . . . 32.259999999999998 109.965 177.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.33 -40.26 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.216 0.45 . . . . 33.210000000000001 112.216 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.03 86.4 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 112.595 0.591 . . . . 33.43 112.595 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.78 -44.6 92.91 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.18 0.514 . . . . 32.710000000000001 111.696 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.44 -43.14 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.916 -0.584 . . . . 37.93 111.203 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -67.45 -47.9 68.78 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 113.923 1.082 . . . . 50.539999999999999 113.923 -177.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.36 -41.23 89.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 120.043 -0.663 . . . . 37.049999999999997 111.388 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.58 -48.99 79.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 118.597 -1.241 . . . . 38.119999999999997 111.057 176.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -57.93 -43.96 86.62 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.269 0.557 . . . . 49.109999999999999 110.271 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -53.29 -50.93 63.88 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.238 1.015 . . . . 41.310000000000002 111.797 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -83.07 -36.0 25.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.865 0.691 . . . . 37.710000000000001 112.865 -175.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.9 p -69.81 -30.71 68.3 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.739 -0.785 . . . . 38.740000000000002 109.973 -178.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.34 12.72 54.21 Favored Glycine 0 C--O 1.242 0.642 0 N-CA-C 114.779 0.672 . . . . 43.5 114.779 -173.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -80.42 -48.27 13.14 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 119.261 -0.976 . . . . 41.399999999999999 111.844 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -137.95 151.02 47.55 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.847 -0.615 . . . . 53.560000000000002 111.237 -168.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.25 -139.9 45.84 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.585 -0.734 . . . . 43.090000000000003 112.766 175.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASP . . . . . 0.703 ' OD2' ' O ' ' B' ' 201' ' ' HOH . 27.4 t0 -52.07 117.24 2.64 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 109.105 -0.702 . . . . 46.399999999999999 109.105 167.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -71.45 -9.14 57.7 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.447 0.906 . . . . 43.740000000000002 113.447 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -107.23 10.4 29.92 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.009 1.115 . . . . 48.140000000000001 114.009 -177.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -141.83 159.17 42.77 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.269 0.556 . . . . 47.789999999999999 111.771 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.2 mt -102.74 115.77 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.312 -0.996 . . . . 35.149999999999999 108.312 -179.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -78.99 172.22 14.11 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.991 -1.114 . . . . 47.920000000000002 107.991 169.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -50.59 -46.63 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.096 0.776 . . . . 44.829999999999998 113.096 -178.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -63.94 -36.11 82.88 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.693 0.627 . . . . 37.829999999999998 112.693 -178.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -70.99 -41.1 71.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 121.011 -0.275 . . . . 37.82 111.455 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.57 -43.13 90.74 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.397 -0.594 . . . . 36.090000000000003 109.397 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -57.57 -47.52 81.86 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.748 -0.66 . . . . 47.82 111.153 178.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -66.93 -38.5 86.29 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.288 0.848 . . . . 44.82 113.288 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.72 -48.06 80.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.963 -0.384 . . . . 31.469999999999999 109.963 175.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.94 -46.61 91.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-O 121.49 0.662 . . . . 31.989999999999998 110.919 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -67.72 -39.98 84.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.489 0.922 . . . . 36.149999999999999 113.489 -176.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -86.87 -33.5 19.76 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 114.491 1.293 . . . . 34.030000000000001 114.491 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -112.06 -13.47 13.56 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 115.358 1.614 . . . . 35.979999999999997 115.358 -168.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -125.48 31.25 5.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.073 -0.651 . . . . 32.520000000000003 111.807 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 83.5 p -67.65 -20.18 65.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 114.063 1.135 . . . . 36.75 114.063 -173.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -88.79 -8.27 54.7 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.13 -1.028 . . . . 47.07 112.711 177.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' PHE . . . . . 0.453 ' CZ ' H13B ' B' ' 101' ' ' CTI . 20.1 m-85 -115.49 -31.78 5.79 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.421 0.897 . . . . 39.530000000000001 113.421 -177.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -125.25 142.59 51.41 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.684 -0.858 . . . . 38.939999999999998 108.684 -176.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.45 138.0 58.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.105 0.878 . . . . 53.969999999999999 109.583 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -54.28 135.11 44.95 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.361 0.6 . . . . 48.079999999999998 111.827 176.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 58.9 mt -84.61 121.02 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.188 -0.671 . . . . 37.600000000000001 109.188 176.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -124.36 7.96 8.42 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.984 1.475 . . . . 52.18 114.984 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -137.38 146.17 44.16 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.003 0.372 . . . . 45.409999999999997 112.003 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -58.51 -36.45 73.82 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.249 0.462 . . . . 54.130000000000003 112.249 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -59.64 -35.01 73.54 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.248 -0.433 . . . . 48.490000000000002 110.004 -177.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 202' ' ' HOH . 77.0 t -73.93 -45.16 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 112.743 0.646 . . . . 40.479999999999997 112.743 -179.918 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.9 p -65.81 -31.94 55.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 118.454 -1.298 . . . . 43.729999999999997 110.97 178.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.5 -45.17 94.24 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.187 0.518 . . . . 43.950000000000003 110.757 175.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LYS . . . . . 0.682 ' NZ ' ' O ' ' B' ' 202' ' ' HOH . 2.0 ttpt -71.93 -37.21 70.06 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.43 -0.908 . . . . 52.240000000000002 111.154 -177.971 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.57 -46.81 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.427 0.455 . . . . 40.850000000000001 110.875 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 57.9 tpp -63.78 -39.23 93.76 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 119.798 -0.761 . . . . 41.57 111.728 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -57.48 -42.86 83.47 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.242 0.544 . . . . 56.57 110.705 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -64.07 -46.05 86.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.436 -0.802 . . . . 45.020000000000003 112.518 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.6 mt -83.15 -24.06 32.68 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.326 1.602 . . . . 43.93 115.326 -175.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -80.58 84.47 6.16 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.407 0.622 . . . . 49.710000000000001 111.45 -176.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -72.46 -25.32 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.306 0.854 . . . . 49.210000000000001 113.306 -175.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -93.93 -32.08 14.03 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.284 1.216 . . . . 57.5 114.284 -178.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.76 2.85 40.05 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.742 -0.742 . . . . 50.25 113.518 174.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.32 9.11 2.26 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.015 1.117 . . . . 49.469999999999999 114.015 -178.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.37 -1.13 66.42 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 115.042 0.777 . . . . 45.899999999999999 115.042 176.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -130.59 169.77 15.16 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.129 0.788 . . . . 45.030000000000001 113.129 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 50.2 t -106.84 109.84 21.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.979 -1.119 . . . . 37.380000000000003 107.979 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -83.72 -179.42 7.3 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.411 -0.359 . . . . 42.140000000000001 110.056 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -63.97 -37.26 86.76 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 115.497 1.666 . . . . 37.710000000000001 115.497 -174.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -71.68 -31.18 66.51 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 118.205 -1.398 . . . . 52.340000000000003 109.734 -177.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -69.98 -35.36 74.37 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.123 -1.066 . . . . 45.149999999999999 108.123 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -65.2 -46.68 79.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.503 -0.771 . . . . 32.670000000000002 110.566 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 74.9 mmm -61.16 -33.58 73.65 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 119.461 -0.896 . . . . 41.869999999999997 113.28 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.02 93.48 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.9 0.857 . . . . 37.710000000000001 109.424 175.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -63.66 -49.05 74.74 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.71 -1.132 . . . . 36.469999999999999 110.894 175.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 50.9 t -58.96 -41.81 84.24 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 N-CA-C 108.265 -1.013 . . . . 31.690000000000001 108.265 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.65 -41.44 81.46 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.926 1.084 . . . . 35.979999999999997 113.926 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.4 mtt -59.21 -49.76 76.6 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.375 0.67 . . . . 47.390000000000001 109.903 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.7 -49.0 82.34 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 CA-C-O 121.817 0.818 . . . . 35.259999999999998 112.939 -178.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' THR . . . . . 0.72 HG22 HG13 ' A' ' 7' ' ' VAL . 75.8 p -65.02 -42.0 94.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.011 -0.675 . . . . 36.909999999999997 112.134 -178.442 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -64.51 -42.17 95.96 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.572 0.545 . . . . 42.549999999999997 110.609 179.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.15 80.97 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 123.529 0.518 . . . . 40.68 111.295 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 30.3 t -73.22 -38.15 66.17 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.222 -0.444 . . . . 40.990000000000002 111.633 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' HIS . . . . . 0.794 ' ND1' ' O ' ' B' ' 237' ' ' HOH . 24.3 t-80 -65.54 -44.55 86.5 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.255 -0.578 . . . . 47.159999999999997 110.013 179.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.4 -27.56 67.56 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.98 0.912 . . . . 57.890000000000001 112.676 176.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -62.08 -40.81 97.07 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 54.82 110.745 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -75.44 -23.34 56.91 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.111 -0.636 . . . . 59.409999999999997 111.067 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLU . . . . . 0.473 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.227 0.537 . . . . 57.960000000000001 111.075 175.356 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' CTI . . . . . 0.453 H13B ' CZ ' ' B' ' 43' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.832 ' O ' ' OE2' ' A' ' 58' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.745 ' O ' ' OE2' ' A' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . 0.695 ' O ' ' O ' ' A' ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . 0.771 ' O ' ' OE1' ' A' ' 50' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . 0.703 ' O ' ' OD2' ' B' ' 23' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . 0.682 ' O ' ' NZ ' ' B' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 237' ' ' HOH . . . . . 0.794 ' O ' ' ND1' ' B' ' 85' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 43.0 mtt . . . . . 0 C--O 1.238 0.494 0 CA-C-O 121.014 0.435 . . . . 56.719999999999999 112.037 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.3 p -71.26 170.42 13.11 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.693 0.797 . . . . 40.18 109.626 175.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.23 -37.79 88.73 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 118.623 -1.231 . . . . 56.469999999999999 111.787 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.15 -39.56 94.27 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.764 -0.458 . . . . 33.490000000000002 109.764 177.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' HG2' ' CE2' ' B' ' 43' ' ' PHE . 77.7 mt-10 -67.02 -43.19 83.49 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 114.956 1.465 . . . . 39.229999999999997 114.956 179.209 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -58.3 -38.24 76.65 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.982 -0.377 . . . . 57.770000000000003 109.982 173.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.57 89.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 119.805 -0.758 . . . . 33.780000000000001 111.014 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.72 HG13 HG22 ' B' ' 81' ' ' THR . 24.8 t -57.9 -46.97 87.42 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 109.06 -0.718 . . . . 35.479999999999997 109.06 178.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.05 -42.33 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 113.391 0.886 . . . . 37.609999999999999 113.391 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.97 81.74 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.02 0.748 . . . . 37.310000000000002 113.02 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.6 mt -62.58 -44.32 96.62 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 121.508 0.671 . . . . 33.289999999999999 110.375 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.07 -41.12 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.552 -0.749 . . . . 37.460000000000001 109.361 175.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.19 -51.51 63.43 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.776 0.83 . . . . 49.390000000000001 112.74 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.24 -42.42 96.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 115.252 -0.886 . . . . 37.090000000000003 112.711 179.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.79 -49.17 78.74 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 120.005 -0.678 . . . . 37.640000000000001 110.347 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -56.72 -45.71 81.73 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.255 -0.884 . . . . 54.450000000000003 110.89 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -54.24 -50.0 68.17 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 123.559 0.537 . . . . 48.619999999999997 111.799 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -81.89 -34.76 29.83 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 120.447 -0.501 . . . . 40.399999999999999 112.109 -174.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.7 p -70.79 -29.32 65.48 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.073 -0.651 . . . . 38.75 111.942 -177.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.44 11.86 60.19 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 115.214 0.846 . . . . 40.979999999999997 115.214 -176.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -80.42 -50.34 10.23 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.213 -0.581 . . . . 43.840000000000003 111.572 -179.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.745 ' OE2' ' O ' ' A' ' 202' ' ' HOH . 49.6 mt-10 -136.66 150.86 48.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.123 -0.631 . . . . 54.539999999999999 112.213 -171.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' HD3' ' A' ' 24' ' ' LYS . . . 57.34 -137.47 49.36 Favored Glycine 0 C--O 1.239 0.425 0 CA-C-N 116.308 -0.405 . . . . 44.840000000000003 112.519 174.047 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -50.22 115.86 1.61 Allowed 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.527 -0.546 . . . . 49.880000000000003 109.527 168.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 22' ' ' GLY . 19.8 mmtt -74.86 -10.34 59.41 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.652 0.982 . . . . 51.25 113.652 -179.525 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.473 ' CE1' ' HG2' ' B' ' 89' ' ' GLU . 28.2 m-70 -107.31 10.11 29.82 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 113.771 1.026 . . . . 55.229999999999997 113.771 -178.792 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -141.39 158.66 43.58 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.318 0.386 . . . . 50.630000000000003 111.412 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.0 mt -102.51 115.71 31.14 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.574 -0.528 . . . . 33.109999999999999 109.574 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -77.31 172.92 12.53 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.007 -1.109 . . . . 54.619999999999997 108.007 169.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -50.5 -46.37 57.02 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 114.884 1.438 . . . . 43.43 114.884 -179.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -63.46 -37.47 87.43 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.284 0.564 . . . . 37.479999999999997 111.082 -176.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -71.2 -43.78 66.73 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.391 -1.277 . . . . 39.490000000000002 111.241 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.1 tp -64.56 -41.85 96.04 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.698 -0.853 . . . . 32.57 108.698 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -57.72 -49.05 77.84 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.377 0.881 . . . . 48.700000000000003 113.377 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -69.14 -37.79 78.48 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.387 0.884 . . . . 50.700000000000003 113.387 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.26 -48.36 76.73 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.183 -0.673 . . . . 30.039999999999999 109.183 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -62.92 -44.73 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 120.619 -0.432 . . . . 32.859999999999999 111.719 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -69.36 -38.4 78.08 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 115.054 1.502 . . . . 38.170000000000002 115.054 -176.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -88.55 -32.86 17.95 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 113.987 1.106 . . . . 37.119999999999997 113.987 -178.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -111.67 -14.28 13.64 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 114.741 1.386 . . . . 40.93 114.741 -168.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -124.07 32.01 5.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.94 0.4 . . . . 31.699999999999999 110.803 179.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.0 p -67.15 -20.66 65.78 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 115.615 -0.721 . . . . 36.5 112.792 -171.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -91.63 -5.21 54.25 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 112.635 0.605 . . . . 42.369999999999997 112.635 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -115.79 -33.89 4.99 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 114.223 1.194 . . . . 42.200000000000003 114.223 -176.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -125.89 143.73 50.96 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.598 -0.519 . . . . 37.719999999999999 109.598 -175.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -62.8 136.24 57.76 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.271 -0.641 . . . . 53.740000000000002 109.271 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -53.05 132.02 37.28 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.848 -0.615 . . . . 48.880000000000003 111.37 178.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.5 mt -83.73 118.48 31.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 116.266 -0.425 . . . . 37.539999999999999 109.932 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -126.7 8.7 6.96 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.741 0.645 . . . . 53.420000000000002 112.741 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -130.82 141.01 50.31 Favored 'General case' 0 CA--C 1.507 -0.698 0 C-N-CA 120.355 -0.538 . . . . 56.75 111.144 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.771 ' OE1' ' O ' ' A' ' 227' ' ' HOH . 69.9 tp60 -62.08 -36.11 80.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 46.840000000000003 110.218 178.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -62.52 -33.89 75.81 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.139 -0.625 . . . . 53.729999999999997 111.183 179.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.6 t -73.42 -46.43 49.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.099 -0.5 . . . . 36.75 110.841 -177.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.81 -32.51 58.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 118.902 -1.119 . . . . 42.219999999999999 110.623 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -65.24 -41.83 93.95 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 116.751 -0.204 . . . . 37.490000000000002 110.943 174.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.03 -40.5 78.59 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.444 -0.502 . . . . 46.170000000000002 111.015 -178.26 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.01 -47.45 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 39.590000000000003 110.101 178.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.5 tpp -65.37 -40.2 93.24 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.542 0.942 . . . . 40.939999999999998 113.542 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.832 ' OE2' ' O ' ' A' ' 201' ' ' HOH . 73.1 mt-10 -57.58 -42.51 83.27 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.225 0.536 . . . . 46.979999999999997 110.228 177.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -63.18 -47.61 81.89 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.599 -0.728 . . . . 47.57 112.185 179.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.1 mt -80.99 -26.74 36.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.502 1.297 . . . . 44.289999999999999 114.502 -173.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -83.19 88.42 6.91 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 118.147 -1.421 . . . . 52.359999999999999 114.404 -174.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.0 m -70.73 -27.25 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.879 -1.055 . . . . 55.240000000000002 113.819 -176.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -91.73 -30.76 16.09 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.045 -1.062 . . . . 62.43 110.727 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.695 ' O ' ' O ' ' A' ' 203' ' ' HOH . . . 105.8 3.13 39.91 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 117.774 1.87 . . . . 54.119999999999997 117.774 171.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -75.88 10.17 1.99 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.355 1.243 . . . . 53.130000000000003 114.355 -177.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.14 -0.48 79.35 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 115.669 1.028 . . . . 48.380000000000003 115.669 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -127.29 170.79 12.09 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.086 -0.338 . . . . 49.799999999999997 110.086 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 50.2 t -110.73 110.7 21.46 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.0 -0.545 . . . . 38.490000000000002 109.671 179.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.539 ' OD1' ' HG2' ' A' ' 71' ' ' GLN . 35.1 p30 -82.44 177.9 8.5 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 123.166 0.291 . . . . 49.200000000000003 111.391 177.17 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.9 -37.41 82.11 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 119.013 -1.075 . . . . 41.490000000000002 112.845 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.539 ' HG2' ' OD1' ' A' ' 69' ' ' ASP . 6.7 pt20 -69.8 -33.51 72.46 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.734 -0.666 . . . . 56.630000000000003 110.895 -175.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -74.96 -35.1 62.12 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 115.721 -0.672 . . . . 45.840000000000003 110.454 175.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.19 -44.69 94.69 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.592 -0.731 . . . . 35.390000000000001 110.976 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.66 -34.95 76.61 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.42 0.896 . . . . 43.890000000000001 113.42 174.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.81 88.82 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 120.488 -0.485 . . . . 38.210000000000001 110.619 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -63.96 -47.4 80.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.86 0.362 . . . . 33.32 110.051 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.1 t -60.51 -41.63 88.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 119.887 -0.725 . . . . 32.219999999999999 110.529 177.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.91 -45.7 86.1 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.831 1.048 . . . . 37.329999999999998 113.831 177.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.2 mtt -58.54 -44.96 89.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 119.275 -0.97 . . . . 72.719999999999999 113.253 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.88 -51.13 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.328 0.585 . . . . 38.350000000000001 109.689 -176.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' THR . . . . . 0.701 HG22 HG13 ' B' ' 7' ' ' VAL . 79.4 p -64.78 -39.8 94.21 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.277 0.843 . . . . 38.340000000000003 113.277 -176.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.2 m -66.62 -42.44 86.8 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.732 -0.667 . . . . 42.840000000000003 110.766 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.67 87.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.645 0.239 . . . . 42.280000000000001 111.645 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 72.7 m -70.7 -40.45 72.86 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.783 -0.367 . . . . 40.18 111.015 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.58 -44.22 96.87 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.344 -0.844 . . . . 42.409999999999997 111.363 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -63.22 -30.73 71.81 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 119.704 -0.798 . . . . 58.920000000000002 111.556 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -68.22 -48.17 65.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.792 0.664 . . . . 53.630000000000003 112.792 178.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -82.56 -24.23 34.1 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 117.345 2.35 . . . . 54.130000000000003 117.345 -176.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.881 0.372 . . . . 55.259999999999998 110.741 -178.644 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 62.8 p . . . . . 0 N--CA 1.466 0.343 0 CA-C-O 120.436 0.16 . . . . 43.149999999999999 110.697 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.12 -38.13 89.96 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.301 0.852 . . . . 56.710000000000001 113.301 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.76 -39.13 93.1 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.295 -0.562 . . . . 35.939999999999998 110.25 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -67.7 -43.5 79.92 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.008 -0.677 . . . . 37.490000000000002 111.239 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -57.72 -39.75 77.99 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.563 -0.744 . . . . 49.390000000000001 111.426 174.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.56 92.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.044 0.387 . . . . 33.060000000000002 112.044 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.701 HG13 HG22 ' A' ' 81' ' ' THR . 20.3 t -58.26 -45.73 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.507 -0.477 . . . . 32.259999999999998 109.965 177.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.33 -40.26 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.216 0.45 . . . . 33.210000000000001 112.216 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.03 86.4 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 112.595 0.591 . . . . 33.43 112.595 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.78 -44.6 92.91 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.18 0.514 . . . . 32.710000000000001 111.696 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.44 -43.14 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.916 -0.584 . . . . 37.93 111.203 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -67.45 -47.9 68.78 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 113.923 1.082 . . . . 50.539999999999999 113.923 -177.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.36 -41.23 89.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 120.043 -0.663 . . . . 37.049999999999997 111.388 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.58 -48.99 79.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 118.597 -1.241 . . . . 38.119999999999997 111.057 176.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -57.93 -43.96 86.62 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.269 0.557 . . . . 49.109999999999999 110.271 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -53.29 -50.93 63.88 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.238 1.015 . . . . 41.310000000000002 111.797 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -83.07 -36.0 25.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.865 0.691 . . . . 37.710000000000001 112.865 -175.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.9 p -69.81 -30.71 68.3 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.739 -0.785 . . . . 38.740000000000002 109.973 -178.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.34 12.72 54.21 Favored Glycine 0 C--O 1.242 0.642 0 N-CA-C 114.779 0.672 . . . . 43.5 114.779 -173.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -80.42 -48.27 13.14 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 119.261 -0.976 . . . . 41.399999999999999 111.844 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -137.95 151.02 47.55 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.847 -0.615 . . . . 53.560000000000002 111.237 -168.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.25 -139.9 45.84 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.585 -0.734 . . . . 43.090000000000003 112.766 175.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.703 ' OD2' ' O ' ' B' ' 201' ' ' HOH . 27.4 t0 -52.07 117.24 2.64 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 109.105 -0.702 . . . . 46.399999999999999 109.105 167.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -71.45 -9.14 57.7 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.447 0.906 . . . . 43.740000000000002 113.447 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -107.23 10.4 29.92 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.009 1.115 . . . . 48.140000000000001 114.009 -177.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -141.83 159.17 42.77 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.269 0.556 . . . . 47.789999999999999 111.771 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.2 mt -102.74 115.77 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.312 -0.996 . . . . 35.149999999999999 108.312 -179.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -78.99 172.22 14.11 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.991 -1.114 . . . . 47.920000000000002 107.991 169.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -50.59 -46.63 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.096 0.776 . . . . 44.829999999999998 113.096 -178.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -63.94 -36.11 82.88 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.693 0.627 . . . . 37.829999999999998 112.693 -178.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -70.99 -41.1 71.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 121.011 -0.275 . . . . 37.82 111.455 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.57 -43.13 90.74 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.397 -0.594 . . . . 36.090000000000003 109.397 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -57.57 -47.52 81.86 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.748 -0.66 . . . . 47.82 111.153 178.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -66.93 -38.5 86.29 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.288 0.848 . . . . 44.82 113.288 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.72 -48.06 80.64 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.963 -0.384 . . . . 31.469999999999999 109.963 175.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.94 -46.61 91.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-O 121.49 0.662 . . . . 31.989999999999998 110.919 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -67.72 -39.98 84.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.489 0.922 . . . . 36.149999999999999 113.489 -176.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -86.87 -33.5 19.76 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 114.491 1.293 . . . . 34.030000000000001 114.491 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -112.06 -13.47 13.56 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 115.358 1.614 . . . . 35.979999999999997 115.358 -168.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -125.48 31.25 5.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.073 -0.651 . . . . 32.520000000000003 111.807 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 83.5 p -67.65 -20.18 65.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 114.063 1.135 . . . . 36.75 114.063 -173.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -88.79 -8.27 54.7 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.13 -1.028 . . . . 47.07 112.711 177.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.453 ' CZ ' H13B ' B' ' 101' ' ' CTI . 20.1 m-85 -115.49 -31.78 5.79 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.421 0.897 . . . . 39.530000000000001 113.421 -177.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 93.6 mt -125.25 142.59 51.41 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 108.684 -0.858 . . . . 38.939999999999998 108.684 -176.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.45 138.0 58.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.105 0.878 . . . . 53.969999999999999 109.583 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -54.28 135.11 44.95 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.361 0.6 . . . . 48.079999999999998 111.827 176.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 58.9 mt -84.61 121.02 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.188 -0.671 . . . . 37.600000000000001 109.188 176.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -124.36 7.96 8.42 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.984 1.475 . . . . 52.18 114.984 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -137.38 146.17 44.16 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.003 0.372 . . . . 45.409999999999997 112.003 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -58.51 -36.45 73.82 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.249 0.462 . . . . 54.130000000000003 112.249 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -59.64 -35.01 73.54 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.248 -0.433 . . . . 48.490000000000002 110.004 -177.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 202' ' ' HOH . 77.0 t -73.93 -45.16 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 112.743 0.646 . . . . 40.479999999999997 112.743 -179.918 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.9 p -65.81 -31.94 55.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 118.454 -1.298 . . . . 43.729999999999997 110.97 178.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.5 -45.17 94.24 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.187 0.518 . . . . 43.950000000000003 110.757 175.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.682 ' NZ ' ' O ' ' B' ' 202' ' ' HOH . 2.0 ttpt -71.93 -37.21 70.06 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.43 -0.908 . . . . 52.240000000000002 111.154 -177.971 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.57 -46.81 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.427 0.455 . . . . 40.850000000000001 110.875 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 57.9 tpp -63.78 -39.23 93.76 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 119.798 -0.761 . . . . 41.57 111.728 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -57.48 -42.86 83.47 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.242 0.544 . . . . 56.57 110.705 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -64.07 -46.05 86.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.436 -0.802 . . . . 45.020000000000003 112.518 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.6 mt -83.15 -24.06 32.68 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.326 1.602 . . . . 43.93 115.326 -175.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -80.58 84.47 6.16 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.407 0.622 . . . . 49.710000000000001 111.45 -176.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -72.46 -25.32 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.306 0.854 . . . . 49.210000000000001 113.306 -175.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 40.2 p30 -93.93 -32.08 14.03 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.284 1.216 . . . . 57.5 114.284 -178.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.76 2.85 40.05 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.742 -0.742 . . . . 50.25 113.518 174.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.32 9.11 2.26 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.015 1.117 . . . . 49.469999999999999 114.015 -178.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.37 -1.13 66.42 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 115.042 0.777 . . . . 45.899999999999999 115.042 176.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -130.59 169.77 15.16 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.129 0.788 . . . . 45.030000000000001 113.129 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 50.2 t -106.84 109.84 21.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.979 -1.119 . . . . 37.380000000000003 107.979 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -83.72 -179.42 7.3 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.411 -0.359 . . . . 42.140000000000001 110.056 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -63.97 -37.26 86.76 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 115.497 1.666 . . . . 37.710000000000001 115.497 -174.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -71.68 -31.18 66.51 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 118.205 -1.398 . . . . 52.340000000000003 109.734 -177.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -69.98 -35.36 74.37 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.123 -1.066 . . . . 45.149999999999999 108.123 177.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -65.2 -46.68 79.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.503 -0.771 . . . . 32.670000000000002 110.566 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 74.9 mmm -61.16 -33.58 73.65 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 119.461 -0.896 . . . . 41.869999999999997 113.28 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.02 93.48 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.9 0.857 . . . . 37.710000000000001 109.424 175.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -63.66 -49.05 74.74 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.71 -1.132 . . . . 36.469999999999999 110.894 175.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 50.9 t -58.96 -41.81 84.24 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 N-CA-C 108.265 -1.013 . . . . 31.690000000000001 108.265 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.65 -41.44 81.46 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.926 1.084 . . . . 35.979999999999997 113.926 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.4 mtt -59.21 -49.76 76.6 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.375 0.67 . . . . 47.390000000000001 109.903 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.7 -49.0 82.34 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 CA-C-O 121.817 0.818 . . . . 35.259999999999998 112.939 -178.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' THR . . . . . 0.72 HG22 HG13 ' A' ' 7' ' ' VAL . 75.8 p -65.02 -42.0 94.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.011 -0.675 . . . . 36.909999999999997 112.134 -178.442 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -64.51 -42.17 95.96 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.572 0.545 . . . . 42.549999999999997 110.609 179.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.15 80.97 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 123.529 0.518 . . . . 40.68 111.295 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 30.3 t -73.22 -38.15 66.17 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.222 -0.444 . . . . 40.990000000000002 111.633 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.794 ' ND1' ' O ' ' B' ' 237' ' ' HOH . 24.3 t-80 -65.54 -44.55 86.5 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.255 -0.578 . . . . 47.159999999999997 110.013 179.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.4 -27.56 67.56 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.98 0.912 . . . . 57.890000000000001 112.676 176.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -62.08 -40.81 97.07 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 54.82 110.745 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -75.44 -23.34 56.91 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.111 -0.636 . . . . 59.409999999999997 111.067 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.473 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.227 0.537 . . . . 57.960000000000001 111.075 175.356 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' CTI . . . . . 0.453 H13B ' CZ ' ' B' ' 43' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.832 ' O ' ' OE2' ' A' ' 58' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.745 ' O ' ' OE2' ' A' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . 0.695 ' O ' ' O ' ' A' ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . 0.771 ' O ' ' OE1' ' A' ' 50' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . 0.703 ' O ' ' OD2' ' B' ' 23' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . 0.682 ' O ' ' NZ ' ' B' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' HOH . . . . . 0.794 ' O ' ' ND1' ' B' ' 85' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_