data_4heo_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 4heo _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 28.4 tpp . . . . . 0 C--O 1.238 0.45 0 N-CA-C 109.66 -0.496 . . . . 44.969999999999999 109.66 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.24 140.09 19.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.384 -0.969 . . . . 36.619999999999997 108.384 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.97 140.7 49.26 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 119.261 -0.975 . . . . 32.479999999999997 111.289 -172.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -69.08 138.96 54.76 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 107.868 -1.16 . . . . 52.82 107.868 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.28 -28.16 64.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 119.0 -1.08 . . . . 59.189999999999998 111.468 175.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.57 87.73 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 112.749 0.648 . . . . 27.940000000000001 112.749 178.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.9 p -65.73 -44.42 86.03 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 120.473 -0.491 . . . . 23.66 109.971 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -63.98 -38.39 90.89 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 117.526 -1.669 . . . . 31.800000000000001 113.164 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.39 -39.17 82.51 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 120.223 -0.591 . . . . 36.009999999999998 112.022 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t -62.96 -47.07 94.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 N-CA-C 108.887 -0.782 . . . . 22.079999999999998 108.887 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.96 -38.59 82.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 119.436 -0.905 . . . . 22.07 112.898 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.7 ttm-85 -62.21 -37.5 85.56 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.185 0.517 . . . . 35.219999999999999 109.995 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 48.5 m -66.06 -43.41 87.54 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.415 -0.514 . . . . 42.689999999999998 111.663 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' MSE . . . . . . . . . . . . . 4.1 mtm -53.99 -47.92 70.94 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 112.473 0.546 . . . . 34.25 112.473 175.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.64 -51.99 63.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-O 120.637 0.256 . . . . 26.059999999999999 110.591 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 -58.32 -38.88 78.0 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.628 0.973 . . . . 49.850000000000001 113.628 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.6 m -77.23 -41.65 40.36 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.92 0.711 . . . . 30.579999999999998 112.92 -173.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . 0.497 ' NE2' ' OD1' ' B' ' 49' ' ' ASN . 82.9 m-70 -110.53 -11.58 14.45 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 114.91 1.448 . . . . 34.060000000000002 114.91 -169.308 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mm -107.51 102.16 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 119.917 -0.713 . . . . 36.049999999999997 109.484 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -91.68 -30.43 16.31 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 114.293 1.22 . . . . 63.0 114.293 -175.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -58.49 121.3 10.57 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.882 0.697 . . . . 63.82 112.882 173.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -59.05 -36.69 75.47 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 114.985 1.476 . . . . 81.569999999999993 114.985 -175.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -75.06 -45.01 44.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.405 0.622 . . . . 75.700000000000003 111.346 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 tp -67.86 -38.53 83.22 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.389 -0.525 . . . . 39.93 110.27 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -60.29 -45.63 92.69 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.907 -0.588 . . . . 52.859999999999999 111.413 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 p -66.46 -38.86 88.27 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 118.548 -1.261 . . . . 50.460000000000001 110.148 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -35.97 81.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.507 0.67 . . . . 72.519999999999996 110.652 -176.448 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.55 -39.04 62.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.004 0.742 . . . . 33.359999999999999 113.004 177.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' MSE . . . . . . . . . . . . . 17.1 mmt -67.07 -33.37 75.36 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.808 -0.557 . . . . 42.030000000000001 111.207 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -64.83 -46.56 81.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.672 -0.695 . . . . 41.369999999999997 111.238 178.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -54.83 -48.04 73.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.217 0.607 . . . . 57.140000000000001 110.041 174.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.82 -46.72 89.45 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.43 0.634 . . . . 26.52 112.498 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.52 -35.34 80.14 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.204 0.816 . . . . 49.649999999999999 113.204 -178.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -21.1 58.11 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 112.605 0.594 . . . . 75.359999999999999 112.605 -179.585 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.59 131.58 49.51 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.798 -0.816 . . . . 35.270000000000003 108.798 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -104.24 -44.86 4.85 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.359 -0.936 . . . . 68.170000000000002 112.649 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -98.59 165.4 11.83 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.485 0.55 . . . . 30.199999999999999 112.485 -170.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -55.1 -43.58 74.13 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.826 -0.625 . . . . 55.780000000000001 109.649 175.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -66.89 -38.36 86.14 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 118.217 -1.393 . . . . 70.689999999999998 111.175 -175.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.21 -40.53 97.74 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.8 -0.36 . . . . 48.609999999999999 111.953 177.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.16 -38.8 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 120.712 -0.395 . . . . 23.66 110.827 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -58.57 -39.86 81.51 Favored 'General case' 0 C--O 1.216 -0.708 0 C-N-CA 120.29 -0.564 . . . . 48.670000000000002 112.011 173.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.07 -41.57 99.46 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 118.331 0.514 . . . . 60.909999999999997 112.385 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.4 t -61.21 -46.42 96.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.555 -0.293 . . . . 29.280000000000001 110.343 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.52 74.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.313 0.578 . . . . 21.98 110.744 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -61.49 -42.34 98.65 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.01 -0.676 . . . . 32.409999999999997 112.23 178.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.9 m -65.14 -44.28 89.16 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.128 0.489 . . . . 38.240000000000002 111.908 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.26 -44.52 95.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 115.916 -0.584 . . . . 28.77 110.641 177.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.34 -38.99 81.76 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.879 0.696 . . . . 32.850000000000001 112.879 175.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -57.23 -47.18 82.0 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.17 0.51 . . . . 50.93 111.995 175.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.49 -47.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.75 -0.659 . . . . 42.140000000000001 111.257 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.66 -34.48 70.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.288 0.566 . . . . 45.490000000000002 110.365 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.32 -15.67 58.02 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.963 0.727 . . . . 54.950000000000003 112.963 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.73 -9.95 53.49 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 115.921 1.128 . . . . 72.730000000000004 115.921 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 174.84 6.06 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 115.188 1.551 . . . . 78.890000000000001 115.188 -178.773 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 113.519 0.933 . . . . 78.319999999999993 113.519 -175.387 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MSE . . . . . . . . . . . . . 4.9 ptt? . . . . . 0 C--O 1.234 0.284 0 N-CA-C 110.578 -0.156 . . . . 130.68000000000001 110.578 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.39 -3.79 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 N-CA-C 114.618 1.34 . . . . 70.390000000000001 114.618 -173.931 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.41 130.53 45.19 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.101 -0.703 . . . . 51.090000000000003 109.101 177.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.05 130.04 41.86 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.103 -0.639 . . . . 64.810000000000002 109.423 -179.169 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.96 -31.62 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.198 -0.667 . . . . 85.629999999999995 109.198 -178.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.21 -49.88 72.45 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 113.466 0.914 . . . . 48.390000000000001 113.466 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 98.1 p -64.59 -38.81 92.29 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 118.972 -1.091 . . . . 43.359999999999999 108.242 -177.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -60.86 -42.71 98.39 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 118.267 -1.373 . . . . 28.870000000000001 111.912 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -61.56 -35.64 78.35 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 119.893 -0.723 . . . . 45.189999999999998 112.822 180.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.95 -48.05 90.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 C-N-CA 119.66 -0.816 . . . . 31.82 112.141 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.05 -38.43 79.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 C-N-CA 119.848 -0.741 . . . . 23.140000000000001 111.667 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -58.57 -40.14 82.3 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.44 -0.904 . . . . 39.240000000000002 112.29 177.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 43.9 p -62.86 -34.5 77.49 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 120.112 -0.635 . . . . 36.93 111.81 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' MSE . . . . . . . . . . . . . 38.8 mtp -69.47 -40.07 77.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.921 0.867 . . . . 29.640000000000001 109.445 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.9 mt -67.61 -45.9 84.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.236 -0.893 . . . . 27.170000000000002 109.702 -174.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -66.14 -32.9 74.62 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.584 -0.846 . . . . 34.18 112.29 -175.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 96.4 m -79.99 -40.26 28.29 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.097 0.777 . . . . 35.079999999999998 113.097 -178.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -112.35 -16.91 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.277 1.214 . . . . 37.57 114.277 -165.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 24.7 mm -98.2 107.65 20.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 108.248 -1.019 . . . . 31.219999999999999 108.248 -174.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -90.74 -26.27 19.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 76.75 111.839 -170.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -70.18 115.84 9.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.142 -0.688 . . . . 61.049999999999997 109.142 177.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -60.64 -40.0 90.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.884 0.698 . . . . 73.299999999999997 112.884 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.6 -46.02 84.46 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.443 -0.577 . . . . 68.329999999999998 109.443 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.22 -42.61 99.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.146 -0.934 . . . . 40.600000000000001 111.225 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -60.06 -43.89 95.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.553 -0.906 . . . . 33.259999999999998 108.553 -179.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -62.89 -43.28 99.22 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.231 -0.44 . . . . 40.579999999999998 109.874 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -61.29 -44.4 97.28 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.838 0.828 . . . . 48.009999999999998 111.91 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 98.3 mt -70.8 -40.16 72.68 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.493 -0.776 . . . . 24.690000000000001 111.965 -178.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' MSE . . . . . . . . . . . . . 14.7 mmm -63.1 -35.11 79.19 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 117.492 -1.683 . . . . 33.969999999999999 112.328 176.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.5 -44.53 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.758 -1.201 . . . . 36.109999999999999 107.758 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' TYR . . . . . 0.409 ' OH ' ' OE2' ' B' ' 43' ' ' GLU . 2.2 t80 -55.79 -45.29 78.25 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 122.629 1.204 . . . . 39.409999999999997 110.461 177.331 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.7 -43.44 93.47 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 120.811 -1.181 . . . . 24.370000000000001 111.767 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.53 -25.66 68.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.236 1.199 . . . . 45.520000000000003 114.236 177.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -86.93 -9.62 55.22 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.13 0.419 . . . . 29.620000000000001 112.13 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.14 136.76 56.39 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.917 0.389 . . . . 32.619999999999997 111.093 176.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -113.84 -9.9 13.04 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 113.038 0.755 . . . . 51.130000000000003 113.038 -172.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 71.3 p -138.84 163.04 33.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.19 -1.041 . . . . 37.68 108.19 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -61.03 -30.57 70.39 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 121.084 0.469 . . . . 54.990000000000002 110.247 176.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.56 -43.04 95.19 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.982 0.896 . . . . 62.289999999999999 112.644 176.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.3 -30.26 68.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.925 -0.58 . . . . 36.82 111.388 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 44.6 t -65.13 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 119.033 -1.067 . . . . 24.440000000000001 109.604 176.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -71.72 -27.79 63.24 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.533 -0.73 . . . . 29.989999999999998 111.749 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . 0.409 ' OE2' ' OH ' ' B' ' 31' ' ' TYR . 28.7 tt0 -61.19 -44.86 96.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 122.419 1.104 . . . . 45.560000000000002 108.509 175.429 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.61 -43.42 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 C-N-CA 119.118 -1.033 . . . . 25.690000000000001 111.175 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.38 -39.84 76.89 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.025 -0.67 . . . . 22.260000000000002 112.032 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -72.3 -28.19 62.93 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 118.458 -1.297 . . . . 35.719999999999999 111.556 -176.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 46.7 m -69.01 -44.66 72.33 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.149 -0.686 . . . . 34.280000000000001 109.149 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.95 -44.46 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 107.81 -1.181 . . . . 25.289999999999999 107.81 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ASN . . . . . 0.497 ' OD1' ' NE2' ' A' ' 18' ' ' HIS . 63.9 t30 -59.11 -39.89 83.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.716 -0.675 . . . . 41.520000000000003 112.525 -178.146 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -67.62 -37.25 82.22 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.275 -0.42 . . . . 46.640000000000001 112.091 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 60.2 mt -66.09 -46.77 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.246 -1.02 . . . . 38.640000000000001 108.246 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.76 -42.55 94.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 N-CA-C 109.633 -0.506 . . . . 36.159999999999997 109.633 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -63.41 -36.78 84.86 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.479 -0.782 . . . . 50.030000000000001 109.799 -177.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.33 -38.9 94.06 Favored Glycine 0 N--CA 1.452 -0.257 0 N-CA-C 111.321 -0.711 . . . . 53.149999999999999 111.321 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASN . . . . . 0.661 ' ND2' ' O ' ' B' ' 217' ' ' HOH . 81.7 m-20 -75.24 -1.28 22.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.868 1.062 . . . . 67.170000000000002 113.868 -177.378 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 88.6 mt -113.0 110.43 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.514 -0.55 . . . . 81.709999999999994 109.514 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.5 -37.47 87.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.047 -0.524 . . . . 86.25 110.497 -178.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -161.63 123.96 2.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.633 -0.712 . . . . 98.269999999999996 109.973 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -66.95 131.3 45.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.31 -0.404 . . . . 85.670000000000002 110.092 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 24.0 p80 . . . . . 0 C--N 1.331 -0.218 0 C-N-CA 123.628 0.771 . . . . 116.54000000000001 113.048 -177.651 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . 0.661 ' O ' ' ND2' ' B' ' 55' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 28.4 tpp . . . . . 0 C--O 1.238 0.45 0 N-CA-C 109.66 -0.496 . . . . 44.97 109.66 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.24 140.09 19.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.384 -0.969 . . . . 36.62 108.384 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.97 140.7 49.26 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 119.261 -0.975 . . . . 32.48 111.289 -172.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -69.08 138.96 54.76 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 107.868 -1.16 . . . . 52.82 107.868 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.28 -28.16 64.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 119.0 -1.08 . . . . 59.19 111.468 175.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.57 87.73 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 112.749 0.648 . . . . 27.94 112.749 178.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.9 p -65.73 -44.42 86.03 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 120.473 -0.491 . . . . 25.77 109.971 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -63.98 -38.39 90.89 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 117.526 -1.669 . . . . 31.8 113.164 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.39 -39.17 82.51 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 120.223 -0.591 . . . . 36.01 112.022 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t -62.96 -47.07 94.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 N-CA-C 108.887 -0.782 . . . . 22.08 108.887 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.96 -38.59 82.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 119.436 -0.905 . . . . 22.07 112.898 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . 0.563 ' HG3' ' HE3' ' A' ' 29' ' ' MSE . 24.7 ttm-85 -62.21 -37.5 85.56 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.185 0.517 . . . . 35.22 109.995 178.093 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 48.5 m -66.06 -43.41 87.54 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.415 -0.514 . . . . 42.69 111.663 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' MSE . . . . . 0.408 'SE ' ' HG2' ' B' ' 14' ' ' MSE . 4.1 mtm -53.99 -47.92 70.94 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 112.473 0.546 . . . . 34.25 112.473 175.53 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.64 -51.99 63.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-O 120.637 0.256 . . . . 26.06 110.591 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 -58.32 -38.88 78.0 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.628 0.973 . . . . 49.85 113.628 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.6 m -77.23 -41.65 40.36 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.92 0.711 . . . . 30.58 112.92 -173.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . 0.454 ' NE2' ' OD1' ' B' ' 49' ' ' ASN . 82.9 m-70 -110.53 -11.58 14.45 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 114.91 1.448 . . . . 34.06 114.91 -169.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mm -107.51 102.16 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 119.917 -0.713 . . . . 36.05 109.484 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -91.68 -30.43 16.31 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 114.293 1.22 . . . . 63.0 114.293 -175.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -58.49 121.3 10.57 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.882 0.697 . . . . 63.82 112.882 173.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -59.05 -36.69 75.47 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 114.985 1.476 . . . . 81.57 114.985 -175.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -75.06 -45.01 44.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.405 0.622 . . . . 75.7 111.346 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 tp -67.86 -38.53 83.22 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.389 -0.525 . . . . 39.93 110.27 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -60.29 -45.63 92.69 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.907 -0.588 . . . . 52.86 111.413 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 p -66.46 -38.86 88.27 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 118.548 -1.261 . . . . 50.46 110.148 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -35.97 81.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.507 0.67 . . . . 72.52 110.652 -176.448 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.55 -39.04 62.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.004 0.742 . . . . 33.36 113.004 177.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' MSE . . . . . 0.563 ' HE3' ' HG3' ' A' ' 12' ' ' ARG . 17.1 mmt -67.07 -33.37 75.36 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.808 -0.557 . . . . 42.03 111.207 177.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -64.83 -46.56 81.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.672 -0.695 . . . . 41.37 111.238 178.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TYR . . . . . 0.463 ' CE2' HG22 ' A' ' 44' ' ' VAL . 11.9 t80 -54.83 -48.04 73.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.217 0.607 . . . . 57.14 110.041 174.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.82 -46.72 89.45 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.43 0.634 . . . . 26.52 112.498 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.52 -35.34 80.14 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.204 0.816 . . . . 49.65 113.204 -178.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -21.1 58.11 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 112.605 0.594 . . . . 75.36 112.605 -179.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.59 131.58 49.51 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.798 -0.816 . . . . 35.27 108.798 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -104.24 -44.86 4.85 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.359 -0.936 . . . . 68.17 112.649 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -98.59 165.4 11.83 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.485 0.55 . . . . 30.2 112.485 -170.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -55.1 -43.58 74.13 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.826 -0.625 . . . . 55.78 109.649 175.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -66.89 -38.36 86.14 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 118.217 -1.393 . . . . 70.69 111.175 -175.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.21 -40.53 97.74 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.8 -0.36 . . . . 48.61 111.953 177.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.16 -38.8 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 120.712 -0.395 . . . . 23.66 110.827 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -58.57 -39.86 81.51 Favored 'General case' 0 C--O 1.216 -0.708 0 C-N-CA 120.29 -0.564 . . . . 48.67 112.011 173.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.07 -41.57 99.46 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 118.331 0.514 . . . . 60.91 112.385 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . 0.463 HG22 ' CE2' ' A' ' 31' ' ' TYR . 59.4 t -61.21 -46.42 96.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.555 -0.293 . . . . 29.28 110.343 175.195 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.52 74.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.313 0.578 . . . . 21.98 110.744 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -61.49 -42.34 98.65 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.01 -0.676 . . . . 32.41 112.23 178.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.9 m -65.14 -44.28 89.16 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.128 0.489 . . . . 38.24 111.908 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.26 -44.52 95.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 115.916 -0.584 . . . . 28.77 110.641 177.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.34 -38.99 81.76 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.879 0.696 . . . . 32.85 112.879 175.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -57.23 -47.18 82.0 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.17 0.51 . . . . 50.93 111.995 175.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.49 -47.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.75 -0.659 . . . . 42.14 111.257 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.66 -34.48 70.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.288 0.566 . . . . 45.49 110.365 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.32 -15.67 58.02 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.963 0.727 . . . . 54.95 112.963 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.73 -9.95 53.49 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 115.921 1.128 . . . . 72.73 115.921 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -118.88 174.84 6.06 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 115.188 1.551 . . . . 78.89 115.188 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 113.519 0.933 . . . . 78.32 113.519 -175.387 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MSE . . . . . . . . . . . . . 4.9 ptt? . . . . . 0 C--O 1.234 0.284 0 N-CA-C 110.578 -0.156 . . . . 130.68 110.578 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.39 -3.79 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 N-CA-C 114.618 1.34 . . . . 70.39 114.618 -173.931 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.41 130.53 45.19 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.101 -0.703 . . . . 51.09 109.101 177.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.05 130.04 41.86 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.103 -0.639 . . . . 64.81 109.423 -179.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.96 -31.62 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.198 -0.667 . . . . 85.63 109.198 -178.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.21 -49.88 72.45 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 113.466 0.914 . . . . 48.39 113.466 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 98.1 p -64.59 -38.81 92.29 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 118.972 -1.091 . . . . 43.36 108.242 -177.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -60.86 -42.71 98.39 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 118.267 -1.373 . . . . 28.87 111.912 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ASP . . . . . 0.415 ' O ' HG23 ' B' ' 13' ' ' THR . 87.8 m-20 -61.56 -35.64 78.35 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 119.893 -0.723 . . . . 45.19 112.822 180.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.95 -48.05 90.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 C-N-CA 119.66 -0.816 . . . . 31.82 112.141 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.05 -38.43 79.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 C-N-CA 119.848 -0.741 . . . . 23.14 111.667 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ARG . . . . . 0.55 ' HG2' ' HE1' ' B' ' 29' ' ' MSE . 72.0 mtt85 -58.57 -40.14 82.3 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.44 -0.904 . . . . 39.24 112.29 177.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . 0.543 HG22 ' NH2' ' B' ' 16' ' ' ARG . 43.9 p -62.86 -34.5 77.49 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 120.112 -0.635 . . . . 36.93 111.81 178.627 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' MSE . . . . . 0.408 ' HG2' 'SE ' ' A' ' 14' ' ' MSE . 38.8 mtp -69.47 -40.07 77.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.921 0.867 . . . . 29.64 109.445 178.824 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.9 mt -67.61 -45.9 84.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.236 -0.893 . . . . 27.17 109.702 -174.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ARG . . . . . 0.543 ' NH2' HG22 ' B' ' 13' ' ' THR . 48.2 mtt180 -66.14 -32.9 74.62 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.584 -0.846 . . . . 35.66 112.29 -175.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 96.4 m -79.99 -40.26 28.29 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.097 0.777 . . . . 35.08 113.097 -178.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -112.35 -16.91 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.277 1.214 . . . . 37.57 114.277 -165.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 24.7 mm -98.2 107.65 20.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 108.248 -1.019 . . . . 31.22 108.248 -174.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -90.74 -26.27 19.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 76.75 111.839 -170.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -70.18 115.84 9.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.142 -0.688 . . . . 61.05 109.142 177.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -60.64 -40.0 90.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.884 0.698 . . . . 73.3 112.884 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.6 -46.02 84.46 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.443 -0.577 . . . . 68.33 109.443 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.22 -42.61 99.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.146 -0.934 . . . . 40.6 111.225 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -60.06 -43.89 95.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.553 -0.906 . . . . 33.26 108.553 -179.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -62.89 -43.28 99.22 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.231 -0.44 . . . . 40.58 109.874 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -61.29 -44.4 97.28 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.838 0.828 . . . . 48.01 111.91 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 98.3 mt -70.8 -40.16 72.68 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.493 -0.776 . . . . 24.69 111.965 -178.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' MSE . . . . . 0.55 ' HE1' ' HG2' ' B' ' 12' ' ' ARG . 14.7 mmm -63.1 -35.11 79.19 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 117.492 -1.683 . . . . 33.97 112.328 176.573 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.5 -44.53 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.758 -1.201 . . . . 36.11 107.758 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.79 -45.29 78.25 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 122.629 1.204 . . . . 39.41 110.461 177.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.7 -43.44 93.47 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 120.811 -1.181 . . . . 24.37 111.767 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.53 -25.66 68.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.236 1.199 . . . . 45.52 114.236 177.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -86.93 -9.62 55.22 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.13 0.419 . . . . 29.62 112.13 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.14 136.76 56.39 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.917 0.389 . . . . 32.62 111.093 176.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -113.84 -9.9 13.04 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 113.038 0.755 . . . . 51.13 113.038 -172.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 71.3 p -138.84 163.04 33.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.19 -1.041 . . . . 37.68 108.19 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -61.03 -30.57 70.39 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 121.084 0.469 . . . . 54.99 110.247 176.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.56 -43.04 95.19 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.982 0.896 . . . . 62.29 112.644 176.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.3 -30.26 68.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.925 -0.58 . . . . 36.82 111.388 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 44.6 t -65.13 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 119.033 -1.067 . . . . 24.44 109.604 176.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -71.72 -27.79 63.24 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.533 -0.73 . . . . 29.99 111.749 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -61.19 -44.86 96.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 122.419 1.104 . . . . 45.56 108.509 175.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.61 -43.42 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 C-N-CA 119.118 -1.033 . . . . 25.69 111.175 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.38 -39.84 76.89 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.025 -0.67 . . . . 22.26 112.032 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -72.3 -28.19 62.93 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 118.458 -1.297 . . . . 35.72 111.556 -176.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 46.7 m -69.01 -44.66 72.33 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.149 -0.686 . . . . 34.28 109.149 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.95 -44.46 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 107.81 -1.181 . . . . 25.29 107.81 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ASN . . . . . 0.454 ' OD1' ' NE2' ' A' ' 18' ' ' HIS . 63.9 t30 -59.11 -39.89 83.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.716 -0.675 . . . . 41.52 112.525 -178.146 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -67.62 -37.25 82.22 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.275 -0.42 . . . . 46.64 112.091 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 60.2 mt -66.09 -46.77 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.246 -1.02 . . . . 38.64 108.246 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.76 -42.55 94.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 N-CA-C 109.633 -0.506 . . . . 36.16 109.633 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -63.41 -36.78 84.86 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.479 -0.782 . . . . 50.03 109.799 -177.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.33 -38.9 94.06 Favored Glycine 0 N--CA 1.452 -0.257 0 N-CA-C 111.321 -0.711 . . . . 53.15 111.321 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' B' ' 217' ' ' HOH . 81.7 m-20 -75.24 -1.28 22.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.868 1.062 . . . . 67.17 113.868 -177.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 88.6 mt -113.0 110.43 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.514 -0.55 . . . . 81.71 109.514 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.5 -37.47 87.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.047 -0.524 . . . . 86.25 110.497 -178.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -161.63 123.96 2.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.633 -0.712 . . . . 98.27 109.973 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -66.95 131.3 45.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.31 -0.404 . . . . 85.67 110.092 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 . . . . . 0 C--N 1.331 -0.218 0 C-N-CA 123.628 0.771 . . . . 116.54 113.048 -177.651 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . 0.604 ' O ' ' ND2' ' B' ' 55' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 28.4 tpp . . . . . 0 C--O 1.238 0.45 0 N-CA-C 109.66 -0.496 . . . . 44.969999999999999 109.66 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.24 140.09 19.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.384 -0.969 . . . . 36.619999999999997 108.384 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.97 140.7 49.26 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 119.261 -0.975 . . . . 32.479999999999997 111.289 -172.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -69.08 138.96 54.76 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 107.868 -1.16 . . . . 52.82 107.868 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.28 -28.16 64.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 119.0 -1.08 . . . . 59.189999999999998 111.468 175.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.18 -37.57 87.73 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 112.749 0.648 . . . . 27.940000000000001 112.749 178.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.9 p -65.73 -44.42 86.03 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 120.473 -0.491 . . . . 25.77 109.971 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -63.98 -38.39 90.89 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 117.526 -1.669 . . . . 31.800000000000001 113.164 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.39 -39.17 82.51 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 120.223 -0.591 . . . . 36.009999999999998 112.022 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t -62.96 -47.07 94.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 N-CA-C 108.887 -0.782 . . . . 22.079999999999998 108.887 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.96 -38.59 82.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 119.436 -0.905 . . . . 22.07 112.898 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.563 ' HG3' ' HE3' ' A' ' 29' ' ' MSE . 24.7 ttm-85 -62.21 -37.5 85.56 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.185 0.517 . . . . 35.219999999999999 109.995 178.093 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 48.5 m -66.06 -43.41 87.54 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.415 -0.514 . . . . 42.689999999999998 111.663 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' MSE . . . . . 0.408 'SE ' ' HG2' ' B' ' 14' ' ' MSE . 4.1 mtm -53.99 -47.92 70.94 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 112.473 0.546 . . . . 34.25 112.473 175.53 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.64 -51.99 63.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-O 120.637 0.256 . . . . 26.059999999999999 110.591 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 -58.32 -38.88 78.0 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.628 0.973 . . . . 49.850000000000001 113.628 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.6 m -77.23 -41.65 40.36 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.92 0.711 . . . . 30.579999999999998 112.92 -173.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.454 ' NE2' ' OD1' ' B' ' 49' ' ' ASN . 82.9 m-70 -110.53 -11.58 14.45 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 114.91 1.448 . . . . 34.060000000000002 114.91 -169.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mm -107.51 102.16 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 119.917 -0.713 . . . . 36.049999999999997 109.484 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -91.68 -30.43 16.31 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 114.293 1.22 . . . . 63.0 114.293 -175.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -58.49 121.3 10.57 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.882 0.697 . . . . 63.82 112.882 173.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -59.05 -36.69 75.47 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 114.985 1.476 . . . . 81.569999999999993 114.985 -175.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -75.06 -45.01 44.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.405 0.622 . . . . 75.700000000000003 111.346 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 tp -67.86 -38.53 83.22 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.389 -0.525 . . . . 39.93 110.27 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -60.29 -45.63 92.69 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.907 -0.588 . . . . 52.859999999999999 111.413 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 p -66.46 -38.86 88.27 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 118.548 -1.261 . . . . 50.460000000000001 110.148 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -35.97 81.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.507 0.67 . . . . 72.519999999999996 110.652 -176.448 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.55 -39.04 62.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.004 0.742 . . . . 33.359999999999999 113.004 177.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' MSE . . . . . 0.563 ' HE3' ' HG3' ' A' ' 12' ' ' ARG . 17.1 mmt -67.07 -33.37 75.36 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.808 -0.557 . . . . 42.030000000000001 111.207 177.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -64.83 -46.56 81.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.672 -0.695 . . . . 41.369999999999997 111.238 178.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.463 ' CE2' HG22 ' A' ' 44' ' ' VAL . 11.9 t80 -54.83 -48.04 73.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.217 0.607 . . . . 57.140000000000001 110.041 174.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.82 -46.72 89.45 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.43 0.634 . . . . 26.52 112.498 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.52 -35.34 80.14 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.204 0.816 . . . . 49.649999999999999 113.204 -178.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -21.1 58.11 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 112.605 0.594 . . . . 75.359999999999999 112.605 -179.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.59 131.58 49.51 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.798 -0.816 . . . . 35.270000000000003 108.798 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -104.24 -44.86 4.85 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.359 -0.936 . . . . 68.170000000000002 112.649 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -98.59 165.4 11.83 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.485 0.55 . . . . 30.199999999999999 112.485 -170.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -55.1 -43.58 74.13 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.826 -0.625 . . . . 55.780000000000001 109.649 175.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -66.89 -38.36 86.14 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 118.217 -1.393 . . . . 70.689999999999998 111.175 -175.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.21 -40.53 97.74 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.8 -0.36 . . . . 48.609999999999999 111.953 177.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.16 -38.8 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 120.712 -0.395 . . . . 23.66 110.827 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.448 ' NE2' HG21 ' B' ' 13' ' ' THR . 48.2 tp60 -58.57 -39.86 81.51 Favored 'General case' 0 C--O 1.216 -0.708 0 C-N-CA 120.29 -0.564 . . . . 48.670000000000002 112.011 173.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.07 -41.57 99.46 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 118.331 0.514 . . . . 60.909999999999997 112.385 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.463 HG22 ' CE2' ' A' ' 31' ' ' TYR . 59.4 t -61.21 -46.42 96.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.555 -0.293 . . . . 29.280000000000001 110.343 175.195 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.52 74.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.313 0.578 . . . . 21.98 110.744 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -61.49 -42.34 98.65 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.01 -0.676 . . . . 32.409999999999997 112.23 178.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.9 m -65.14 -44.28 89.16 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.128 0.489 . . . . 38.240000000000002 111.908 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.26 -44.52 95.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 115.916 -0.584 . . . . 28.77 110.641 177.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.34 -38.99 81.76 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.879 0.696 . . . . 32.850000000000001 112.879 175.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -57.23 -47.18 82.0 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.17 0.51 . . . . 50.93 111.995 175.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.49 -47.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.75 -0.659 . . . . 42.140000000000001 111.257 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.66 -34.48 70.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.288 0.566 . . . . 45.490000000000002 110.365 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.32 -15.67 58.02 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.963 0.727 . . . . 54.950000000000003 112.963 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.73 -9.95 53.49 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 115.921 1.128 . . . . 72.730000000000004 115.921 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 174.84 6.06 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 115.188 1.551 . . . . 78.890000000000001 115.188 -178.773 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 113.519 0.933 . . . . 78.319999999999993 113.519 -175.387 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MSE . . . . . . . . . . . . . 4.9 ptt? . . . . . 0 C--O 1.234 0.284 0 N-CA-C 110.578 -0.156 . . . . 130.68000000000001 110.578 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.39 -3.79 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 N-CA-C 114.618 1.34 . . . . 70.390000000000001 114.618 -173.931 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.41 130.53 45.19 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.101 -0.703 . . . . 51.090000000000003 109.101 177.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.05 130.04 41.86 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.103 -0.639 . . . . 64.810000000000002 109.423 -179.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.96 -31.62 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.198 -0.667 . . . . 85.629999999999995 109.198 -178.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.21 -49.88 72.45 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 113.466 0.914 . . . . 48.390000000000001 113.466 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 98.1 p -64.59 -38.81 92.29 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 118.972 -1.091 . . . . 43.359999999999999 108.242 -177.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -60.86 -42.71 98.39 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 118.267 -1.373 . . . . 28.870000000000001 111.912 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.415 ' O ' HG23 ' B' ' 13' ' ' THR . 87.8 m-20 -61.56 -35.64 78.35 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 119.893 -0.723 . . . . 45.189999999999998 112.822 180.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.95 -48.05 90.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 C-N-CA 119.66 -0.816 . . . . 31.82 112.141 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.05 -38.43 79.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 C-N-CA 119.848 -0.741 . . . . 23.140000000000001 111.667 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.55 ' HG2' ' HE1' ' B' ' 29' ' ' MSE . 72.0 mtt85 -58.57 -40.14 82.3 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.44 -0.904 . . . . 39.240000000000002 112.29 177.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . 0.543 HG22 ' NH2' ' B' ' 16' ' ' ARG . 43.9 p -62.86 -34.5 77.49 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 120.112 -0.635 . . . . 36.93 111.81 178.627 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' MSE . . . . . 0.408 ' HG2' 'SE ' ' A' ' 14' ' ' MSE . 38.8 mtp -69.47 -40.07 77.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.921 0.867 . . . . 29.640000000000001 109.445 178.824 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.9 mt -67.61 -45.9 84.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.236 -0.893 . . . . 27.170000000000002 109.702 -174.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.543 ' NH2' HG22 ' B' ' 13' ' ' THR . 48.2 mtt180 -66.14 -32.9 74.62 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.584 -0.846 . . . . 35.659999999999997 112.29 -175.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 96.4 m -79.99 -40.26 28.29 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.097 0.777 . . . . 35.079999999999998 113.097 -178.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -112.35 -16.91 12.84 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.277 1.214 . . . . 37.57 114.277 -165.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 24.7 mm -98.2 107.65 20.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 108.248 -1.019 . . . . 31.219999999999999 108.248 -174.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -90.74 -26.27 19.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 76.75 111.839 -170.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -70.18 115.84 9.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.142 -0.688 . . . . 61.049999999999997 109.142 177.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -60.64 -40.0 90.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.884 0.698 . . . . 73.299999999999997 112.884 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.6 -46.02 84.46 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.443 -0.577 . . . . 68.329999999999998 109.443 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.22 -42.61 99.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.146 -0.934 . . . . 40.600000000000001 111.225 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -60.06 -43.89 95.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.553 -0.906 . . . . 33.259999999999998 108.553 -179.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -62.89 -43.28 99.22 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.231 -0.44 . . . . 40.579999999999998 109.874 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -61.29 -44.4 97.28 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.838 0.828 . . . . 48.009999999999998 111.91 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 98.3 mt -70.8 -40.16 72.68 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.493 -0.776 . . . . 24.690000000000001 111.965 -178.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' MSE . . . . . 0.55 ' HE1' ' HG2' ' B' ' 12' ' ' ARG . 14.7 mmm -63.1 -35.11 79.19 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 117.492 -1.683 . . . . 33.969999999999999 112.328 176.573 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.5 -44.53 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.758 -1.201 . . . . 36.109999999999999 107.758 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.79 -45.29 78.25 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 122.629 1.204 . . . . 39.409999999999997 110.461 177.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.7 -43.44 93.47 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 120.811 -1.181 . . . . 24.370000000000001 111.767 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.53 -25.66 68.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.236 1.199 . . . . 45.520000000000003 114.236 177.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -86.93 -9.62 55.22 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.13 0.419 . . . . 29.620000000000001 112.13 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.14 136.76 56.39 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.917 0.389 . . . . 32.619999999999997 111.093 176.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -113.84 -9.9 13.04 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 113.038 0.755 . . . . 51.130000000000003 113.038 -172.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 71.3 p -138.84 163.04 33.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.19 -1.041 . . . . 37.68 108.19 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -61.03 -30.57 70.39 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 121.084 0.469 . . . . 54.990000000000002 110.247 176.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.56 -43.04 95.19 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.982 0.896 . . . . 62.289999999999999 112.644 176.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.3 -30.26 68.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.925 -0.58 . . . . 36.82 111.388 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 44.6 t -65.13 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 119.033 -1.067 . . . . 24.440000000000001 109.604 176.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -71.72 -27.79 63.24 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.533 -0.73 . . . . 29.989999999999998 111.749 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -61.19 -44.86 96.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 122.419 1.104 . . . . 45.560000000000002 108.509 175.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.61 -43.42 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 C-N-CA 119.118 -1.033 . . . . 25.690000000000001 111.175 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.38 -39.84 76.89 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.025 -0.67 . . . . 22.260000000000002 112.032 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -72.3 -28.19 62.93 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 118.458 -1.297 . . . . 35.719999999999999 111.556 -176.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 46.7 m -69.01 -44.66 72.33 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.149 -0.686 . . . . 34.280000000000001 109.149 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.95 -44.46 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 107.81 -1.181 . . . . 25.289999999999999 107.81 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.454 ' OD1' ' NE2' ' A' ' 18' ' ' HIS . 63.9 t30 -59.11 -39.89 83.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.716 -0.675 . . . . 41.520000000000003 112.525 -178.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -67.62 -37.25 82.22 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.275 -0.42 . . . . 46.640000000000001 112.091 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 60.2 mt -66.09 -46.77 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 108.246 -1.02 . . . . 38.640000000000001 108.246 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.76 -42.55 94.86 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 N-CA-C 109.633 -0.506 . . . . 36.159999999999997 109.633 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -63.41 -36.78 84.86 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.479 -0.782 . . . . 50.030000000000001 109.799 -177.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.33 -38.9 94.06 Favored Glycine 0 N--CA 1.452 -0.257 0 N-CA-C 111.321 -0.711 . . . . 53.149999999999999 111.321 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' B' ' 217' ' ' HOH . 81.7 m-20 -75.24 -1.28 22.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.868 1.062 . . . . 67.170000000000002 113.868 -177.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 88.6 mt -113.0 110.43 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.514 -0.55 . . . . 81.709999999999994 109.514 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.5 -37.47 87.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.047 -0.524 . . . . 86.25 110.497 -178.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -161.63 123.96 2.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.633 -0.712 . . . . 98.269999999999996 109.973 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -66.95 131.3 45.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.31 -0.404 . . . . 85.670000000000002 110.092 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 24.0 p80 . . . . . 0 C--N 1.331 -0.218 0 C-N-CA 123.628 0.771 . . . . 116.54000000000001 113.048 -177.651 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . 0.604 ' O ' ' ND2' ' B' ' 55' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_