data_5duk_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 5duk _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 ' 12' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 110.239 -0.282 . . . . 57.82 110.239 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.3 m -66.01 -45.07 82.89 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.843 -0.343 . . . . 43.270000000000003 111.218 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -65.41 -42.91 92.04 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.358 -0.537 . . . . 36.450000000000003 111.353 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . 0.739 ' NH2' ' O ' ' A' ' 101' ' ' HOH . 23.3 ttm180 -66.58 -27.84 68.04 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.675 -0.81 . . . . 60.229999999999997 111.435 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -74.28 -38.67 63.34 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.082 -0.647 . . . . 57.350000000000001 111.086 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.9 mt -63.54 -50.37 78.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 120.699 -0.4 . . . . 34.100000000000001 110.546 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -58.91 -32.4 69.51 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 121.969 -0.457 . . . . 34.5 112.159 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -80.3 -37.18 33.21 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 112.74 0.644 . . . . 64.879999999999995 112.74 -175.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -60.76 -28.3 68.62 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.516 0.51 . . . . 59.020000000000003 110.32 173.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.0 -33.3 18.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 111.309 0.114 . . . . 35.060000000000002 111.309 179.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.12 -48.03 64.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 O-C-N 121.715 -0.616 . . . . 35.0 110.508 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -73.87 -32.28 63.56 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.359 -0.536 . . . . 73.129999999999995 112.15 -176.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.6 t -124.59 80.03 61.73 Favored Pre-proline 0 C--O 1.239 0.544 0 N-CA-C 109.514 -0.55 . . . . 54.549999999999997 109.514 -175.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -70.41 148.34 60.62 Favored 'Trans proline' 0 C--N 1.333 -0.28 0 CA-C-O 121.846 0.686 . . . . 34.280000000000001 112.512 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.19 9.57 60.44 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 116.39 1.316 . . . . 34.259999999999998 116.39 169.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.35 161.44 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 118.78 1.29 . . . . 40.549999999999997 111.06 -176.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -90.6 171.28 9.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.061 -0.972 . . . . 57.219999999999999 110.423 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -62.91 -46.15 89.16 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.944 -1.025 . . . . 59.520000000000003 111.04 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -76.21 -26.44 56.12 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.559 0.577 . . . . 74.739999999999995 112.559 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 106' ' ' HOH . 87.5 mt-30 -71.06 -28.02 64.05 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.396 -0.521 . . . . 67.930000000000007 111.387 174.036 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tp -73.76 -45.46 51.67 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.72 -0.392 . . . . 45.479999999999997 111.02 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.03 -18.37 65.33 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 112.847 0.684 . . . . 50.710000000000001 112.847 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -85.48 -46.21 11.08 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.119 0.418 . . . . 73.849999999999994 111.36 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -75.38 0.07 18.18 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.29 0.848 . . . . 62.310000000000002 113.29 -178.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.3 mt -127.44 -2.51 6.19 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.948 0.721 . . . . 46.450000000000003 112.948 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t0 52.99 43.66 31.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.737 0.779 . . . . 74.879999999999995 111.027 -177.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.7 t -110.64 132.12 21.74 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 107.77 -1.196 . . . . 47.659999999999997 107.77 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.0 146.51 93.95 Favored 'Trans proline' 0 C--O 1.233 0.274 0 CA-C-N 119.218 0.757 . . . . 42.75 111.087 176.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 tp -60.3 -37.2 79.78 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.372 -0.831 . . . . 46.520000000000003 111.354 -174.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -63.9 -41.49 97.69 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.315 -0.554 . . . . 63.18 111.204 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.8 m -65.13 -43.88 90.52 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.561 -0.456 . . . . 45.380000000000003 111.311 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.4 tp -64.99 -35.9 82.69 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.965 -0.294 . . . . 34.039999999999999 111.65 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -67.47 -40.09 83.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 120.556 -0.458 . . . . 33.100000000000001 110.671 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.05 -39.42 81.97 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.385 -0.526 . . . . 30.469999999999999 111.41 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -77.02 -35.69 56.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.081 -0.647 . . . . 25.600000000000001 111.721 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.54 -37.74 84.89 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.242 -0.583 . . . . 27.280000000000001 110.951 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -66.4 -39.46 89.02 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.515 -0.474 . . . . 29.280000000000001 111.39 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -61.16 -48.44 81.55 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.343 -0.543 . . . . 22.460000000000001 110.849 174.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.43 -30.53 71.35 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 111.981 0.363 . . . . 25.18 111.981 -177.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -72.99 -41.39 64.36 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.175 -0.61 . . . . 59.240000000000002 111.203 173.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . 0.548 ' NH1' ' O ' ' A' ' 104' ' ' HOH . 29.2 ttp-105 -63.88 -30.3 71.4 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.723 -0.391 . . . . 30.879999999999999 111.549 -179.009 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.78 2.52 53.36 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.517 0.562 . . . . 36.759999999999998 112.517 174.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 59.31 32.6 22.03 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.62 0.768 . . . . 52.270000000000003 112.194 178.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.5 mt -90.82 -26.07 19.6 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 112.378 0.51 . . . . 26.670000000000002 112.378 174.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.6 pt -127.86 155.97 39.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 108.19 -1.041 . . . . 29.440000000000001 108.19 173.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' MSE . . . . . . . . . . . . . 11.4 ptm -129.46 -172.61 2.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.517 -0.765 . . . . 119.31 111.154 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' MSE . . . . . . . . . . . . . 16.7 ttt -147.52 121.9 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.629 . . . . 91.319999999999993 110.962 -163.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -119.09 145.13 46.18 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.689 -0.486 . . . . 40.600000000000001 109.689 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -77.81 142.64 38.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.736 -0.665 . . . . 43.090000000000003 110.241 175.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -94.12 110.84 22.53 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.487 -0.931 . . . . 48.619999999999997 108.487 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.47 -28.29 66.87 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.491 -0.484 . . . . 60.909999999999997 111.573 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -63.05 -18.43 63.34 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 112.426 0.528 . . . . 77.230000000000004 112.426 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.33 6.46 11.88 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 113.023 0.749 . . . . 60.490000000000002 113.023 -177.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.89 151.29 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.5 0.667 . . . . 36.409999999999997 110.358 172.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -120.61 146.16 46.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.657 -0.701 . . . . 64.989999999999995 109.81 -176.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.39 135.99 54.02 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.871 -0.604 . . . . 31.84 110.99 -168.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -136.89 148.01 46.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.523 -0.762 . . . . 34.210000000000001 109.214 -178.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.85 141.28 46.13 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.634 -0.712 . . . . 39.329999999999998 110.069 172.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.3 p -79.44 155.97 28.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.744 0.783 . . . . 44.229999999999997 110.45 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.444 -0.798 . . . . 58.729999999999997 111.542 -177.741 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.28 0.562 . . . . 69.870000000000005 110.602 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -161.06 124.09 3.24 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.131 -1.063 . . . . 55.119999999999997 108.131 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.33 162.2 6.38 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 122.032 0.92 . . . . 75.189999999999998 111.091 -176.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.32 -32.17 69.83 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.039 -0.982 . . . . 30.489999999999998 111.078 169.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 35.9 tp -68.55 -42.36 78.5 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.701 -0.399 . . . . 30.23 111.275 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.65 -44.72 81.13 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.893 -0.723 . . . . 58.07 111.258 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.26 -41.89 93.8 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.496 -0.482 . . . . 36.049999999999997 111.491 179.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.78 -44.12 86.74 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.098 -0.641 . . . . 34.600000000000001 111.367 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -63.43 -41.53 98.69 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.393 -0.523 . . . . 26.399999999999999 111.073 178.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -61.72 -50.58 71.86 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.888 0.375 . . . . 35.780000000000001 111.31 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 28.6 mtm-85 -68.01 -36.7 80.41 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.242 -0.583 . . . . 52.130000000000003 111.402 -176.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -63.82 -33.12 74.97 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.971 -0.691 . . . . 56.649999999999999 111.23 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 69.4 mt -73.02 -46.38 51.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 120.885 0.374 . . . . 28.07 110.801 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -60.35 -36.47 78.06 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 122.03 -0.419 . . . . 35.240000000000002 112.009 -173.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.84 -9.61 28.32 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.917 0.71 . . . . 59.520000000000003 112.917 -172.516 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -74.51 -29.56 61.45 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.635 -0.826 . . . . 37.039999999999999 110.244 159.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 mm -62.88 -45.34 99.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 121.377 0.608 . . . . 31.350000000000001 110.247 172.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.61 -42.24 89.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 O-C-N 121.922 -0.486 . . . . 32.210000000000001 110.565 -177.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -74.46 -24.39 59.04 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 121.98 -0.45 . . . . 72.670000000000002 112.144 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -141.92 82.08 13.97 Favored Pre-proline 0 C--O 1.237 0.42 0 N-CA-C 109.323 -0.621 . . . . 41.539999999999999 109.323 -174.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -73.21 156.99 50.84 Favored 'Trans proline' 0 C--N 1.33 -0.398 0 CA-C-O 122.114 0.798 . . . . 36.079999999999998 112.145 -176.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.05 20.16 70.82 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 116.688 1.435 . . . . 32.340000000000003 116.688 169.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt -87.03 156.65 19.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.661 1.231 . . . . 33.509999999999998 110.681 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -85.9 164.88 17.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.368 -0.833 . . . . 52.049999999999997 109.767 171.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -70.71 -28.9 65.09 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.646 -0.821 . . . . 46.25 112.247 -173.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -71.82 -34.56 69.43 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.163 -1.015 . . . . 59.950000000000003 111.408 175.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -68.48 -40.96 80.76 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.022 -0.671 . . . . 53.219999999999999 110.857 170.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -43.24 79.36 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.602 0.239 . . . . 34.119999999999997 111.173 176.036 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 -44.98 70.15 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.73 -0.388 . . . . 25.800000000000001 111.443 -177.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -70.05 -33.6 72.15 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.078 -0.649 . . . . 47.100000000000001 112.014 -177.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -77.8 -23.32 49.14 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 112.719 0.637 . . . . 44.630000000000003 112.719 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.9 mt -100.72 -2.66 31.91 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 112.965 0.728 . . . . 27.890000000000001 112.965 177.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t0 57.35 40.42 27.59 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.53 0.681 . . . . 29.469999999999999 111.118 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 76.3 t -116.35 138.87 24.66 Favored Pre-proline 0 C--O 1.24 0.581 0 N-CA-C 108.157 -1.053 . . . . 25.84 108.157 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -58.08 148.26 78.38 Favored 'Trans proline' 0 C--O 1.234 0.284 0 CA-C-N 119.175 0.741 . . . . 27.510000000000002 111.067 173.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 34.2 tp -61.7 -38.08 86.53 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.441 -0.799 . . . . 26.309999999999999 111.627 -175.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -62.47 -44.6 96.01 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.37 -0.532 . . . . 47.299999999999997 111.236 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 17.0 m -66.22 -40.02 90.02 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.226 -0.59 . . . . 28.219999999999999 111.092 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tp -60.4 -47.67 85.08 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.736 -0.386 . . . . 24.109999999999999 111.246 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.86 -31.47 52.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 122.151 -0.343 . . . . 23.280000000000001 110.562 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -60.79 -41.81 96.32 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.999 -0.438 . . . . 35.82 111.189 174.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -80.37 -27.76 38.13 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.512 0.56 . . . . 27.09 112.512 -179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.77 -42.59 90.63 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.028 -0.669 . . . . 23.5 111.25 176.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -62.05 -36.19 80.87 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.518 -0.473 . . . . 24.609999999999999 111.036 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.81 -49.54 57.66 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.463 -0.495 . . . . 48.920000000000002 111.125 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -61.62 -31.18 71.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.74 -0.384 . . . . 26.359999999999999 111.59 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -75.02 -36.38 61.91 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.742 -0.383 . . . . 38.479999999999997 111.357 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ARG . . . . . 0.568 ' NH1' ' O ' ' B' ' 102' ' ' HOH . 27.8 ttp-105 -63.11 -40.0 96.34 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.224 -0.59 . . . . 51.939999999999998 110.939 175.456 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -79.59 5.81 12.14 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.919 0.711 . . . . 55.119999999999997 112.919 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 56.71 27.58 12.88 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 118.366 0.53 . . . . 60.82 112.3 176.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -83.84 -25.32 30.41 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.998 -0.681 . . . . 31.07 111.576 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 22.9 pt -132.93 160.28 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.171 -1.048 . . . . 28.559999999999999 108.171 173.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' MSE . . . . . . . . . . . . . 3.3 ptm -127.61 151.53 48.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.145 -0.934 . . . . 118.45 109.608 176.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' MSE . . . . . . . . . . . . . 21.1 ttt -113.7 117.44 31.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.647 -0.706 . . . . 79.540000000000006 110.844 -174.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -105.56 120.03 40.62 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.081 -0.711 . . . . 72.530000000000001 109.081 -178.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 50.7 m -72.13 157.73 37.22 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.803 0.811 . . . . 48.299999999999997 110.417 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -120.74 101.58 7.82 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.313 -1.365 . . . . 57.409999999999997 107.313 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -74.78 -8.05 55.25 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 113.062 0.764 . . . . 83.590000000000003 113.062 -173.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . . . -66.89 -17.25 64.81 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.305 -0.558 . . . . 51.719999999999999 111.83 170.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -114.28 33.04 5.52 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.272 0.629 . . . . 66.140000000000001 111.808 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.57 146.97 48.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.534 0.683 . . . . 37.969999999999999 110.616 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -100.52 134.84 42.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.426 -0.807 . . . . 60.439999999999998 108.978 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -103.49 130.6 50.89 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.579 -0.282 . . . . 41.590000000000003 110.338 -173.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -130.76 151.53 51.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.875 -0.787 . . . . 38.049999999999997 108.875 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.47 138.54 32.74 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.896 -0.593 . . . . 41.909999999999997 110.192 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 26.5 p -76.95 158.2 30.82 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.828 0.823 . . . . 39.25 110.354 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.307 -0.86 . . . . 81.120000000000005 111.472 -177.33 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.739 ' O ' ' NH2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . 0.548 ' O ' ' NH1' ' A' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . 0.432 ' O ' ' NE2' ' A' ' 31' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . 0.568 ' O ' ' NH1' ' B' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 110.239 -0.282 . . . . 57.82 110.239 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.3 m -66.01 -45.07 82.89 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.843 -0.343 . . . . 43.270000000000003 111.218 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -65.41 -42.91 92.04 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.358 -0.537 . . . . 36.450000000000003 111.353 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . 0.526 ' NH2' ' O ' ' A' ' 101' ' ' HOH . 23.3 ttm180 -66.58 -27.84 68.04 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.675 -0.81 . . . . 60.229999999999997 111.435 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -74.28 -38.67 63.34 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.082 -0.647 . . . . 57.350000000000001 111.086 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.9 mt -63.54 -50.37 78.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 120.699 -0.4 . . . . 34.100000000000001 110.546 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -58.91 -32.4 69.51 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 121.969 -0.457 . . . . 34.5 112.159 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -80.3 -37.18 33.21 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 112.74 0.644 . . . . 64.879999999999995 112.74 -175.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -60.76 -28.3 68.62 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.516 0.51 . . . . 59.020000000000003 110.32 173.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.0 -33.3 18.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 111.309 0.114 . . . . 35.060000000000002 111.309 179.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.12 -48.03 64.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 O-C-N 121.715 -0.616 . . . . 35.0 110.508 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -73.87 -32.28 63.56 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.359 -0.536 . . . . 73.129999999999995 112.15 -176.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.6 t -124.59 80.03 61.73 Favored Pre-proline 0 C--O 1.239 0.544 0 N-CA-C 109.514 -0.55 . . . . 54.549999999999997 109.514 -175.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -70.41 148.34 60.62 Favored 'Trans proline' 0 C--N 1.333 -0.28 0 CA-C-O 121.846 0.686 . . . . 34.280000000000001 112.512 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.19 9.57 60.44 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 116.39 1.316 . . . . 34.259999999999998 116.39 169.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.35 161.44 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 118.78 1.29 . . . . 40.549999999999997 111.06 -176.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -90.6 171.28 9.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.061 -0.972 . . . . 57.219999999999999 110.423 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' A' ' 40' ' ' LEU . 44.7 tt0 -62.91 -46.15 89.16 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.944 -1.025 . . . . 59.520000000000003 111.04 179.108 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -76.21 -26.44 56.12 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.559 0.577 . . . . 74.739999999999995 112.559 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 106' ' ' HOH . 87.5 mt-30 -71.06 -28.02 64.05 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.396 -0.521 . . . . 67.930000000000007 111.387 174.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tp -73.76 -45.46 51.67 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.72 -0.392 . . . . 45.479999999999997 111.02 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.03 -18.37 65.33 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 112.847 0.684 . . . . 50.710000000000001 112.847 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -85.48 -46.21 11.08 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.119 0.418 . . . . 73.849999999999994 111.36 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -75.38 0.07 18.18 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.29 0.848 . . . . 62.310000000000002 113.29 -178.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.3 mt -127.44 -2.51 6.19 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.948 0.721 . . . . 46.450000000000003 112.948 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t0 52.99 43.66 31.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.737 0.779 . . . . 74.879999999999995 111.027 -177.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.7 t -110.64 132.12 21.74 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 107.77 -1.196 . . . . 47.659999999999997 107.77 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.0 146.51 93.95 Favored 'Trans proline' 0 C--O 1.233 0.274 0 CA-C-N 119.218 0.757 . . . . 42.75 111.087 176.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . 0.584 HD11 ' HG2' ' A' ' 29' ' ' GLU . 21.0 tp -60.3 -37.2 79.78 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.372 -0.831 . . . . 46.520000000000003 111.354 -174.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -63.9 -41.49 97.69 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.315 -0.554 . . . . 63.18 111.204 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.8 m -65.13 -43.88 90.52 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.561 -0.456 . . . . 45.380000000000003 111.311 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.4 tp -64.99 -35.9 82.69 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.965 -0.294 . . . . 34.039999999999999 111.65 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -67.47 -40.09 83.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 120.556 -0.458 . . . . 33.100000000000001 110.671 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.05 -39.42 81.97 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.385 -0.526 . . . . 30.469999999999999 111.41 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -77.02 -35.69 56.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.081 -0.647 . . . . 25.600000000000001 111.721 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.54 -37.74 84.89 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.242 -0.583 . . . . 27.280000000000001 110.951 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -66.4 -39.46 89.02 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.515 -0.474 . . . . 29.280000000000001 111.39 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -61.16 -48.44 81.55 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.343 -0.543 . . . . 22.460000000000001 110.849 174.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.43 -30.53 71.35 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 111.981 0.363 . . . . 25.18 111.981 -177.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -72.99 -41.39 64.36 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.175 -0.61 . . . . 59.240000000000002 111.203 173.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 ttp-105 -63.88 -30.3 71.4 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.723 -0.391 . . . . 30.879999999999999 111.549 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.78 2.52 53.36 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.517 0.562 . . . . 36.759999999999998 112.517 174.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 59.31 32.6 22.03 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.62 0.768 . . . . 52.270000000000003 112.194 178.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.5 mt -90.82 -26.07 19.6 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 112.378 0.51 . . . . 26.670000000000002 112.378 174.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.6 pt -127.86 155.97 39.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 108.19 -1.041 . . . . 29.440000000000001 108.19 173.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' MSE . . . . . . . . . . . . . 11.4 ptm -129.46 -172.61 2.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.517 -0.765 . . . . 119.31 111.154 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' MSE . . . . . . . . . . . . . 16.7 ttt -147.52 121.9 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.629 . . . . 91.319999999999993 110.962 -163.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -119.09 145.13 46.18 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.689 -0.486 . . . . 40.600000000000001 109.689 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -77.81 142.64 38.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.736 -0.665 . . . . 43.090000000000003 110.241 175.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -94.12 110.84 22.53 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.487 -0.931 . . . . 48.619999999999997 108.487 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.47 -28.29 66.87 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.491 -0.484 . . . . 60.909999999999997 111.573 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -63.05 -18.43 63.34 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 112.426 0.528 . . . . 77.230000000000004 112.426 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.33 6.46 11.88 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 113.023 0.749 . . . . 60.490000000000002 113.023 -177.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.89 151.29 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.5 0.667 . . . . 36.409999999999997 110.358 172.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -120.61 146.16 46.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.657 -0.701 . . . . 64.989999999999995 109.81 -176.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.39 135.99 54.02 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.871 -0.604 . . . . 31.84 110.99 -168.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -136.89 148.01 46.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.523 -0.762 . . . . 34.210000000000001 109.214 -178.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.85 141.28 46.13 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.634 -0.712 . . . . 39.329999999999998 110.069 172.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.3 p -79.44 155.97 28.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.744 0.783 . . . . 44.229999999999997 110.45 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.444 -0.798 . . . . 58.729999999999997 111.542 -177.741 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.28 0.562 . . . . 69.870000000000005 110.602 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -161.06 124.09 3.24 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.131 -1.063 . . . . 55.119999999999997 108.131 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.33 162.2 6.38 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 122.032 0.92 . . . . 75.189999999999998 111.091 -176.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.32 -32.17 69.83 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.039 -0.982 . . . . 30.489999999999998 111.078 169.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 35.9 tp -68.55 -42.36 78.5 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.701 -0.399 . . . . 30.23 111.275 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.65 -44.72 81.13 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.893 -0.723 . . . . 58.07 111.258 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.26 -41.89 93.8 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.496 -0.482 . . . . 36.049999999999997 111.491 179.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.78 -44.12 86.74 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.098 -0.641 . . . . 34.600000000000001 111.367 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -63.43 -41.53 98.69 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.393 -0.523 . . . . 26.399999999999999 111.073 178.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -61.72 -50.58 71.86 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.888 0.375 . . . . 35.780000000000001 111.31 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 28.6 mtm-85 -68.01 -36.7 80.41 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.242 -0.583 . . . . 52.130000000000003 111.402 -176.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -63.82 -33.12 74.97 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.971 -0.691 . . . . 56.649999999999999 111.23 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . 0.501 HG12 HD13 ' B' ' 36' ' ' LEU . 69.4 mt -73.02 -46.38 51.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 120.885 0.374 . . . . 28.07 110.801 178.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -60.35 -36.47 78.06 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 122.03 -0.419 . . . . 35.240000000000002 112.009 -173.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.84 -9.61 28.32 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.917 0.71 . . . . 59.520000000000003 112.917 -172.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -74.51 -29.56 61.45 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.635 -0.826 . . . . 37.039999999999999 110.244 159.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ILE . . . . . 0.637 HD11 HD21 ' B' ' 32' ' ' LEU . 7.9 mm -62.88 -45.34 99.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 121.377 0.608 . . . . 31.350000000000001 110.247 172.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.61 -42.24 89.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 O-C-N 121.922 -0.486 . . . . 32.210000000000001 110.565 -177.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -74.46 -24.39 59.04 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 121.98 -0.45 . . . . 72.670000000000002 112.144 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -141.92 82.08 13.97 Favored Pre-proline 0 C--O 1.237 0.42 0 N-CA-C 109.323 -0.621 . . . . 41.539999999999999 109.323 -174.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -73.21 156.99 50.84 Favored 'Trans proline' 0 C--N 1.33 -0.398 0 CA-C-O 122.114 0.798 . . . . 36.079999999999998 112.145 -176.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.05 20.16 70.82 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 116.688 1.435 . . . . 32.340000000000003 116.688 169.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt -87.03 156.65 19.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.661 1.231 . . . . 33.509999999999998 110.681 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -85.9 164.88 17.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.368 -0.833 . . . . 52.049999999999997 109.767 171.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -70.71 -28.9 65.09 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.646 -0.821 . . . . 46.25 112.247 -173.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -71.82 -34.56 69.43 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.163 -1.015 . . . . 59.950000000000003 111.408 175.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -68.48 -40.96 80.76 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.022 -0.671 . . . . 53.219999999999999 110.857 170.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . 0.637 HD21 HD11 ' B' ' 21' ' ' ILE . 0.4 OUTLIER -56.46 -43.24 79.36 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.602 0.239 . . . . 34.119999999999997 111.173 176.036 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 -44.98 70.15 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.73 -0.388 . . . . 25.800000000000001 111.443 -177.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -70.05 -33.6 72.15 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.078 -0.649 . . . . 47.100000000000001 112.014 -177.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -77.8 -23.32 49.14 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 112.719 0.637 . . . . 44.630000000000003 112.719 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . 0.501 HD13 HG12 ' B' ' 17' ' ' ILE . 23.9 mt -100.72 -2.66 31.91 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 112.965 0.728 . . . . 27.890000000000001 112.965 177.139 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t0 57.35 40.42 27.59 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.53 0.681 . . . . 29.469999999999999 111.118 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 76.3 t -116.35 138.87 24.66 Favored Pre-proline 0 C--O 1.24 0.581 0 N-CA-C 108.157 -1.053 . . . . 25.84 108.157 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -58.08 148.26 78.38 Favored 'Trans proline' 0 C--O 1.234 0.284 0 CA-C-N 119.175 0.741 . . . . 27.510000000000002 111.067 173.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 34.2 tp -61.7 -38.08 86.53 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.441 -0.799 . . . . 26.309999999999999 111.627 -175.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -62.47 -44.6 96.01 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.37 -0.532 . . . . 47.299999999999997 111.236 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 17.0 m -66.22 -40.02 90.02 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.226 -0.59 . . . . 28.219999999999999 111.092 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tp -60.4 -47.67 85.08 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.736 -0.386 . . . . 24.109999999999999 111.246 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.86 -31.47 52.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 122.151 -0.343 . . . . 23.280000000000001 110.562 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -60.79 -41.81 96.32 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.999 -0.438 . . . . 35.82 111.189 174.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -80.37 -27.76 38.13 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.512 0.56 . . . . 27.09 112.512 -179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.77 -42.59 90.63 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.028 -0.669 . . . . 23.5 111.25 176.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -62.05 -36.19 80.87 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.518 -0.473 . . . . 24.609999999999999 111.036 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.81 -49.54 57.66 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.463 -0.495 . . . . 48.920000000000002 111.125 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -61.62 -31.18 71.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.74 -0.384 . . . . 26.359999999999999 111.59 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -75.02 -36.38 61.91 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.742 -0.383 . . . . 38.479999999999997 111.357 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ARG . . . . . 0.568 ' NH1' ' O ' ' B' ' 102' ' ' HOH . 27.8 ttp-105 -63.11 -40.0 96.34 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.224 -0.59 . . . . 51.939999999999998 110.939 175.456 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -79.59 5.81 12.14 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.919 0.711 . . . . 55.119999999999997 112.919 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 56.71 27.58 12.88 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 118.366 0.53 . . . . 60.82 112.3 176.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -83.84 -25.32 30.41 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.998 -0.681 . . . . 31.07 111.576 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 22.9 pt -132.93 160.28 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.171 -1.048 . . . . 28.559999999999999 108.171 173.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' MSE . . . . . . . . . . . . . 3.3 ptm -127.61 151.53 48.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.145 -0.934 . . . . 118.45 109.608 176.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' MSE . . . . . . . . . . . . . 21.1 ttt -113.7 117.44 31.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.647 -0.706 . . . . 79.540000000000006 110.844 -174.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -105.56 120.03 40.62 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.081 -0.711 . . . . 72.530000000000001 109.081 -178.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 50.7 m -72.13 157.73 37.22 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.803 0.811 . . . . 48.299999999999997 110.417 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -120.74 101.58 7.82 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.313 -1.365 . . . . 57.409999999999997 107.313 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -74.78 -8.05 55.25 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 113.062 0.764 . . . . 83.590000000000003 113.062 -173.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . . . -66.89 -17.25 64.81 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.305 -0.558 . . . . 51.719999999999999 111.83 170.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -114.28 33.04 5.52 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.272 0.629 . . . . 66.140000000000001 111.808 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.57 146.97 48.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.534 0.683 . . . . 37.969999999999999 110.616 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -100.52 134.84 42.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.426 -0.807 . . . . 60.439999999999998 108.978 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -103.49 130.6 50.89 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.579 -0.282 . . . . 41.590000000000003 110.338 -173.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -130.76 151.53 51.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.875 -0.787 . . . . 38.049999999999997 108.875 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.47 138.54 32.74 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.896 -0.593 . . . . 41.909999999999997 110.192 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 26.5 p -76.95 158.2 30.82 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.828 0.823 . . . . 39.25 110.354 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.307 -0.86 . . . . 81.120000000000005 111.472 -177.33 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.526 ' O ' ' NH2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . 0.432 ' O ' ' NE2' ' A' ' 31' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . 0.568 ' O ' ' NH1' ' B' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 110.239 -0.282 . . . . 57.82 110.239 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.3 m -66.01 -45.07 82.89 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.843 -0.343 . . . . 43.270000000000003 111.218 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -65.41 -42.91 92.04 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.358 -0.537 . . . . 36.450000000000003 111.353 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.526 ' NH2' ' O ' ' A' ' 101' ' ' HOH . 23.3 ttm180 -66.58 -27.84 68.04 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.675 -0.81 . . . . 60.229999999999997 111.435 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -74.28 -38.67 63.34 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.082 -0.647 . . . . 57.350000000000001 111.086 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.9 mt -63.54 -50.37 78.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 120.699 -0.4 . . . . 34.100000000000001 110.546 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -58.91 -32.4 69.51 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 121.969 -0.457 . . . . 34.5 112.159 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -80.3 -37.18 33.21 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 112.74 0.644 . . . . 64.879999999999995 112.74 -175.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -60.76 -28.3 68.62 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.516 0.51 . . . . 59.020000000000003 110.32 173.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.0 -33.3 18.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 111.309 0.114 . . . . 35.060000000000002 111.309 179.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.12 -48.03 64.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 O-C-N 121.715 -0.616 . . . . 35.0 110.508 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -73.87 -32.28 63.56 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.359 -0.536 . . . . 73.129999999999995 112.15 -176.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.6 t -124.59 80.03 61.73 Favored Pre-proline 0 C--O 1.239 0.544 0 N-CA-C 109.514 -0.55 . . . . 54.549999999999997 109.514 -175.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -70.41 148.34 60.62 Favored 'Trans proline' 0 C--N 1.333 -0.28 0 CA-C-O 121.846 0.686 . . . . 34.280000000000001 112.512 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.19 9.57 60.44 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 116.39 1.316 . . . . 34.259999999999998 116.39 169.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.35 161.44 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 118.78 1.29 . . . . 40.549999999999997 111.06 -176.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -90.6 171.28 9.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.061 -0.972 . . . . 57.219999999999999 110.423 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' A' ' 40' ' ' LEU . 44.7 tt0 -62.91 -46.15 89.16 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.944 -1.025 . . . . 59.520000000000003 111.04 179.108 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -76.21 -26.44 56.12 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.559 0.577 . . . . 74.739999999999995 112.559 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 106' ' ' HOH . 87.5 mt-30 -71.06 -28.02 64.05 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.396 -0.521 . . . . 67.930000000000007 111.387 174.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tp -73.76 -45.46 51.67 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.72 -0.392 . . . . 45.479999999999997 111.02 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.03 -18.37 65.33 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 112.847 0.684 . . . . 50.710000000000001 112.847 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -85.48 -46.21 11.08 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.119 0.418 . . . . 73.849999999999994 111.36 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -75.38 0.07 18.18 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.29 0.848 . . . . 62.310000000000002 113.29 -178.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.3 mt -127.44 -2.51 6.19 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.948 0.721 . . . . 46.450000000000003 112.948 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t0 52.99 43.66 31.44 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.737 0.779 . . . . 74.879999999999995 111.027 -177.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.7 t -110.64 132.12 21.74 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 107.77 -1.196 . . . . 47.659999999999997 107.77 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.0 146.51 93.95 Favored 'Trans proline' 0 C--O 1.233 0.274 0 CA-C-N 119.218 0.757 . . . . 42.75 111.087 176.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.584 HD11 ' HG2' ' A' ' 29' ' ' GLU . 21.0 tp -60.3 -37.2 79.78 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.372 -0.831 . . . . 46.520000000000003 111.354 -174.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -63.9 -41.49 97.69 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.315 -0.554 . . . . 63.18 111.204 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.8 m -65.13 -43.88 90.52 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.561 -0.456 . . . . 45.380000000000003 111.311 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.4 tp -64.99 -35.9 82.69 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.965 -0.294 . . . . 34.039999999999999 111.65 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -67.47 -40.09 83.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 120.556 -0.458 . . . . 33.100000000000001 110.671 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.05 -39.42 81.97 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.385 -0.526 . . . . 30.469999999999999 111.41 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -77.02 -35.69 56.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.081 -0.647 . . . . 25.600000000000001 111.721 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.54 -37.74 84.89 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.242 -0.583 . . . . 27.280000000000001 110.951 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -66.4 -39.46 89.02 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.515 -0.474 . . . . 29.280000000000001 111.39 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -61.16 -48.44 81.55 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.343 -0.543 . . . . 22.460000000000001 110.849 174.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.43 -30.53 71.35 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 111.981 0.363 . . . . 25.18 111.981 -177.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -72.99 -41.39 64.36 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.175 -0.61 . . . . 59.240000000000002 111.203 173.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 ttp-105 -63.88 -30.3 71.4 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.723 -0.391 . . . . 30.879999999999999 111.549 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.78 2.52 53.36 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.517 0.562 . . . . 36.759999999999998 112.517 174.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 59.31 32.6 22.03 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.62 0.768 . . . . 52.270000000000003 112.194 178.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.5 mt -90.82 -26.07 19.6 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 112.378 0.51 . . . . 26.670000000000002 112.378 174.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.6 pt -127.86 155.97 39.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 108.19 -1.041 . . . . 29.440000000000001 108.19 173.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' MSE . . . . . . . . . . . . . 11.4 ptm -129.46 -172.61 2.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.517 -0.765 . . . . 119.31 111.154 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' MSE . . . . . . . . . . . . . 16.7 ttt -147.52 121.9 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.629 . . . . 91.319999999999993 110.962 -163.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -119.09 145.13 46.18 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.689 -0.486 . . . . 40.600000000000001 109.689 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -77.81 142.64 38.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.736 -0.665 . . . . 43.090000000000003 110.241 175.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -94.12 110.84 22.53 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.487 -0.931 . . . . 48.619999999999997 108.487 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.47 -28.29 66.87 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.491 -0.484 . . . . 60.909999999999997 111.573 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -63.05 -18.43 63.34 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 112.426 0.528 . . . . 77.230000000000004 112.426 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.33 6.46 11.88 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 113.023 0.749 . . . . 60.490000000000002 113.023 -177.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.89 151.29 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.5 0.667 . . . . 36.409999999999997 110.358 172.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -120.61 146.16 46.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.657 -0.701 . . . . 64.989999999999995 109.81 -176.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.39 135.99 54.02 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.871 -0.604 . . . . 31.84 110.99 -168.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -136.89 148.01 46.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.523 -0.762 . . . . 34.210000000000001 109.214 -178.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.85 141.28 46.13 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.634 -0.712 . . . . 39.329999999999998 110.069 172.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.3 p -79.44 155.97 28.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.744 0.783 . . . . 44.229999999999997 110.45 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.444 -0.798 . . . . 58.729999999999997 111.542 -177.741 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.28 0.562 . . . . 69.870000000000005 110.602 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -161.06 124.09 3.24 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.131 -1.063 . . . . 55.119999999999997 108.131 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -60.33 162.2 6.38 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 122.032 0.92 . . . . 75.189999999999998 111.091 -176.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.32 -32.17 69.83 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.039 -0.982 . . . . 30.489999999999998 111.078 169.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 35.9 tp -68.55 -42.36 78.5 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.701 -0.399 . . . . 30.23 111.275 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.65 -44.72 81.13 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.893 -0.723 . . . . 58.07 111.258 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.26 -41.89 93.8 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.496 -0.482 . . . . 36.049999999999997 111.491 179.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.78 -44.12 86.74 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.098 -0.641 . . . . 34.600000000000001 111.367 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -63.43 -41.53 98.69 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.393 -0.523 . . . . 26.399999999999999 111.073 178.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -61.72 -50.58 71.86 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.888 0.375 . . . . 35.780000000000001 111.31 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 28.6 mtm-85 -68.01 -36.7 80.41 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.242 -0.583 . . . . 52.130000000000003 111.402 -176.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -63.82 -33.12 74.97 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.971 -0.691 . . . . 56.649999999999999 111.23 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.501 HG12 HD13 ' B' ' 36' ' ' LEU . 69.4 mt -73.02 -46.38 51.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 120.885 0.374 . . . . 28.07 110.801 178.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -60.35 -36.47 78.06 Favored 'General case' 0 C--O 1.238 0.462 0 O-C-N 122.03 -0.419 . . . . 35.240000000000002 112.009 -173.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.84 -9.61 28.32 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.917 0.71 . . . . 59.520000000000003 112.917 -172.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -74.51 -29.56 61.45 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.635 -0.826 . . . . 37.039999999999999 110.244 159.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.637 HD11 HD21 ' B' ' 32' ' ' LEU . 7.9 mm -62.88 -45.34 99.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 121.377 0.608 . . . . 31.350000000000001 110.247 172.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.61 -42.24 89.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 O-C-N 121.922 -0.486 . . . . 32.210000000000001 110.565 -177.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -74.46 -24.39 59.04 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 121.98 -0.45 . . . . 72.670000000000002 112.144 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -141.92 82.08 13.97 Favored Pre-proline 0 C--O 1.237 0.42 0 N-CA-C 109.323 -0.621 . . . . 41.539999999999999 109.323 -174.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -73.21 156.99 50.84 Favored 'Trans proline' 0 C--N 1.33 -0.398 0 CA-C-O 122.114 0.798 . . . . 36.079999999999998 112.145 -176.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.05 20.16 70.82 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 116.688 1.435 . . . . 32.340000000000003 116.688 169.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt -87.03 156.65 19.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.661 1.231 . . . . 33.509999999999998 110.681 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -85.9 164.88 17.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.368 -0.833 . . . . 52.049999999999997 109.767 171.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -70.71 -28.9 65.09 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.646 -0.821 . . . . 46.25 112.247 -173.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -71.82 -34.56 69.43 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.163 -1.015 . . . . 59.950000000000003 111.408 175.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -68.48 -40.96 80.76 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.022 -0.671 . . . . 53.219999999999999 110.857 170.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.637 HD21 HD11 ' B' ' 21' ' ' ILE . 0.4 OUTLIER -56.46 -43.24 79.36 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.602 0.239 . . . . 34.119999999999997 111.173 176.036 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 -44.98 70.15 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.73 -0.388 . . . . 25.800000000000001 111.443 -177.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -70.05 -33.6 72.15 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.078 -0.649 . . . . 47.100000000000001 112.014 -177.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -77.8 -23.32 49.14 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 112.719 0.637 . . . . 44.630000000000003 112.719 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.501 HD13 HG12 ' B' ' 17' ' ' ILE . 23.9 mt -100.72 -2.66 31.91 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 112.965 0.728 . . . . 27.890000000000001 112.965 177.139 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t0 57.35 40.42 27.59 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.53 0.681 . . . . 29.469999999999999 111.118 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 76.3 t -116.35 138.87 24.66 Favored Pre-proline 0 C--O 1.24 0.581 0 N-CA-C 108.157 -1.053 . . . . 25.84 108.157 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -58.08 148.26 78.38 Favored 'Trans proline' 0 C--O 1.234 0.284 0 CA-C-N 119.175 0.741 . . . . 27.510000000000002 111.067 173.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 34.2 tp -61.7 -38.08 86.53 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.441 -0.799 . . . . 26.309999999999999 111.627 -175.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -62.47 -44.6 96.01 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.37 -0.532 . . . . 47.299999999999997 111.236 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 17.0 m -66.22 -40.02 90.02 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.226 -0.59 . . . . 28.219999999999999 111.092 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tp -60.4 -47.67 85.08 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.736 -0.386 . . . . 24.109999999999999 111.246 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.86 -31.47 52.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 122.151 -0.343 . . . . 23.280000000000001 110.562 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -60.79 -41.81 96.32 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.999 -0.438 . . . . 35.82 111.189 174.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -80.37 -27.76 38.13 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 112.512 0.56 . . . . 27.09 112.512 -179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.77 -42.59 90.63 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.028 -0.669 . . . . 23.5 111.25 176.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -62.05 -36.19 80.87 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.518 -0.473 . . . . 24.609999999999999 111.036 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.81 -49.54 57.66 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.463 -0.495 . . . . 48.920000000000002 111.125 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -61.62 -31.18 71.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.74 -0.384 . . . . 26.359999999999999 111.59 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -75.02 -36.38 61.91 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.742 -0.383 . . . . 38.479999999999997 111.357 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.568 ' NH1' ' O ' ' B' ' 102' ' ' HOH . 27.8 ttp-105 -63.11 -40.0 96.34 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.224 -0.59 . . . . 51.939999999999998 110.939 175.456 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -79.59 5.81 12.14 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.919 0.711 . . . . 55.119999999999997 112.919 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 56.71 27.58 12.88 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 118.366 0.53 . . . . 60.82 112.3 176.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -83.84 -25.32 30.41 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.998 -0.681 . . . . 31.07 111.576 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 22.9 pt -132.93 160.28 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.171 -1.048 . . . . 28.559999999999999 108.171 173.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' MSE . . . . . . . . . . . . . 3.3 ptm -127.61 151.53 48.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.145 -0.934 . . . . 118.45 109.608 176.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' MSE . . . . . . . . . . . . . 21.1 ttt -113.7 117.44 31.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.647 -0.706 . . . . 79.540000000000006 110.844 -174.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -105.56 120.03 40.62 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 109.081 -0.711 . . . . 72.530000000000001 109.081 -178.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 50.7 m -72.13 157.73 37.22 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.803 0.811 . . . . 48.299999999999997 110.417 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -120.74 101.58 7.82 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.313 -1.365 . . . . 57.409999999999997 107.313 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -74.78 -8.05 55.25 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 113.062 0.764 . . . . 83.590000000000003 113.062 -173.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . . . -66.89 -17.25 64.81 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.305 -0.558 . . . . 51.719999999999999 111.83 170.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -114.28 33.04 5.52 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.272 0.629 . . . . 66.140000000000001 111.808 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.57 146.97 48.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.534 0.683 . . . . 37.969999999999999 110.616 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -100.52 134.84 42.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.426 -0.807 . . . . 60.439999999999998 108.978 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -103.49 130.6 50.89 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.579 -0.282 . . . . 41.590000000000003 110.338 -173.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -130.76 151.53 51.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.875 -0.787 . . . . 38.049999999999997 108.875 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.47 138.54 32.74 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.896 -0.593 . . . . 41.909999999999997 110.192 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 26.5 p -76.95 158.2 30.82 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.828 0.823 . . . . 39.25 110.354 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.307 -0.86 . . . . 81.120000000000005 111.472 -177.33 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.526 ' O ' ' NH2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . 0.432 ' O ' ' NE2' ' A' ' 31' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . 0.568 ' O ' ' NH1' ' B' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_