data_4fn3_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 4fn3 _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 ' 3' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.502 2.145 0 CA-C-O 120.922 0.391 . . . . 38.700000000000003 110.66 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -52.7 -47.23 67.42 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 117.031 -1.461 . . . . 37.890000000000001 111.491 172.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.57 -47.51 83.51 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 119.291 0.95 . . . . 25.120000000000001 109.975 -177.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 mp -57.12 -44.69 83.55 Favored 'General case' 0 C--O 1.302 3.849 0 C-N-CA 119.296 -0.962 . . . . 26.789999999999999 112.061 178.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 p -64.39 -38.06 89.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.441 -0.799 . . . . 17.690000000000001 110.306 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' NZ ' ' OE1' ' A' ' 74' ' ' GLU . 14.5 mmtt -82.09 -31.67 30.63 Favored 'General case' 0 N--CA 1.503 2.21 0 C-N-CA 117.075 -1.85 . . . . 45.93 109.608 -175.279 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.11 -50.22 56.29 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.66 0 C-N-CA 117.352 -1.739 . . . . 13.289999999999999 111.001 169.879 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.1 m -61.23 -43.74 98.39 Favored 'General case' 0 N--CA 1.528 3.461 0 O-C-N 120.187 -1.571 . . . . 15.539999999999999 112.126 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -55.82 -50.1 71.45 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 114.928 -1.033 . . . . 30.710000000000001 112.853 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.52 -40.68 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 C-N-CA 119.938 -0.705 . . . . 15.42 111.198 -176.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.43 -50.47 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.532 0 N-CA-C 108.557 -0.905 . . . . 12.949999999999999 108.557 176.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -65.23 -41.19 94.64 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 118.513 -1.275 . . . . 29.390000000000001 110.15 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -59.17 -48.89 79.94 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.098 1.147 . . . . 32.240000000000002 114.098 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.25 -42.09 94.38 Favored 'Isoleucine or valine' 0 C--O 1.281 2.741 0 C-N-CA 119.685 -0.806 . . . . 18.609999999999999 110.081 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -58.95 -40.98 86.3 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 116.861 -1.935 . . . . 14.75 111.111 -176.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.4 -38.58 68.39 Favored 'General case' 0 N--CA 1.504 2.248 0 CA-C-N 115.574 -0.739 . . . . 23.079999999999998 109.534 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.67 -29.8 66.86 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 113.289 0.848 . . . . 42.600000000000001 113.289 171.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -89.97 4.68 49.37 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.055 -0.658 . . . . 33.240000000000002 111.656 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.7 35.3 89.4 Favored Glycine 0 CA--C 1.541 1.686 0 N-CA-C 115.998 1.159 . . . . 22.02 115.998 -172.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 95.4 mtp -105.34 141.83 36.17 Favored 'General case' 0 C--O 1.291 3.258 0 O-C-N 120.046 -1.855 . . . . 24.059999999999999 107.942 -175.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -81.93 172.59 13.11 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 114.089 -1.414 . . . . 14.58 110.302 169.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.15 -39.39 94.53 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 118.12 -1.432 . . . . 13.9 111.362 174.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.267 2.3 mt-10 -59.16 -45.8 90.03 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 117.133 -1.413 . . . . 28.73 110.689 176.186 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -58.72 -48.63 80.49 Favored 'General case' 1 N--CA 1.549 4.481 0 CA-C-N 119.147 0.885 . . . . 24.41 109.532 175.998 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -65.8 -34.81 79.03 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 120.031 -1.668 . . . . 13.92 110.558 -177.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 -50.81 70.98 Favored 'General case' 0 C--O 1.284 2.899 0 O-C-N 120.945 -1.097 . . . . 14.06 109.184 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -59.66 -47.61 84.95 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 113.91 -1.496 . . . . 42.039999999999999 110.916 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -71.23 -25.58 62.55 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 115.215 1.561 . . . . 54.369999999999997 115.215 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.4 p -99.08 1.52 45.28 Favored 'General case' 0 C--O 1.284 2.889 0 CA-C-N 119.764 1.165 . . . . 13.279999999999999 112.805 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.58 27.53 14.99 Favored 'General case' 0 C--O 1.267 2.008 0 CA-C-O 122.434 1.111 . . . . 24.41 113.188 -175.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.6 mt -123.88 136.47 54.38 Favored 'General case' 0 C--N 1.362 1.134 0 O-C-N 121.49 -0.756 . . . . 13.73 109.036 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -52.52 146.13 10.42 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 113.365 -3.334 . . . . 15.91 115.003 -173.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -52.91 -38.17 61.54 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 113.118 -1.856 . . . . 32.009999999999998 112.915 -172.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.1 p -71.97 -30.24 65.07 Favored 'General case' 0 C--O 1.183 -2.424 0 O-C-N 120.661 -1.275 . . . . 21.649999999999999 108.881 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -62.83 -51.41 67.17 Favored 'General case' 0 C--O 1.27 2.148 0 C-N-CA 118.874 -1.131 . . . . 18.300000000000001 113.346 171.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . 0.755 ' C ' ' CA ' ' A' ' 39' ' ' SER . 43.3 mm -54.88 -50.2 63.75 Favored 'Isoleucine or valine' 0 C--O 1.276 2.451 0 N-CA-C 108.808 -0.812 . . . . 12.08 108.808 175.542 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . 0.755 ' CA ' ' C ' ' A' ' 38' ' ' ILE 1.029 37.1 t -77.55 -22.43 51.03 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-O 122.089 0.947 . . . . 11.98 113.459 -177.985 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . 0.653 ' N ' ' CA ' ' A' ' 39' ' ' SER . . . -53.52 -49.26 58.0 Favored Glycine 0 C--N 1.312 -0.802 0 C-N-CA 123.997 0.808 . . . . 13.81 111.435 175.917 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.64 -33.41 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.512 0 CA-C-N 117.874 0.837 . . . . 26.16 111.324 -178.839 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -76.7 -25.18 53.33 Favored 'General case' 0 C--O 1.2 -1.528 0 C-N-CA 118.381 -1.327 . . . . 20.09 108.32 -176.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -75.82 -44.46 41.01 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.019 0.528 . . . . 60.210000000000001 110.799 172.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -158.02 114.54 2.84 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 118.376 -0.821 . . . . 20.600000000000001 109.197 -175.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 p -83.21 7.34 16.48 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 114.998 1.481 . . . . 23.809999999999999 114.998 -179.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -43.26 -48.95 6.78 Favored 'General case' 0 C--O 1.285 2.966 0 CA-C-N 119.76 1.164 . . . . 31.620000000000001 112.252 -178.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -103.41 6.83 37.95 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 119.396 -0.921 . . . . 28.030000000000001 112.92 -169.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.35 131.69 51.76 Favored 'General case' 0 C--O 1.284 2.916 0 N-CA-C 108.652 -0.87 . . . . 14.710000000000001 108.652 170.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.4 p -97.4 166.38 11.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.57 -1.331 . . . . 16.539999999999999 109.567 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.1 mm -67.19 -35.5 74.31 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.059 0 N-CA-C 106.409 -1.7 . . . . 15.92 106.409 -176.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -60.87 -48.86 79.89 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 117.982 -1.487 . . . . 39.990000000000002 111.605 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.64 84.25 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.59 -0.892 . . . . 10.890000000000001 108.59 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.1 tp -67.85 -37.58 82.05 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.922 1.237 . . . . 11.94 108.796 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.71 -39.54 94.55 Favored 'General case' 0 N--CA 1.51 2.565 0 C-N-CA 119.291 -0.963 . . . . 47.469999999999999 112.959 174.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.05 -42.4 99.7 Favored 'General case' 0 N--CA 1.509 2.501 0 CA-C-O 121.82 0.819 . . . . 15.49 111.558 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.61 -41.82 93.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 121.589 -0.695 . . . . 11.960000000000001 112.19 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' MET . . . . . 0.909 ' CG ' ' O ' ' A' ' 216' ' ' HOH . 12.3 mtm -63.91 -41.67 97.62 Favored 'General case' 0 N--CA 1.514 2.732 0 N-CA-C 106.753 -1.573 . . . . 33.539999999999999 106.753 179.032 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -60.88 -44.23 97.37 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 117.972 -1.491 . . . . 55.399999999999999 113.953 175.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.79 -31.62 73.2 Favored Glycine 0 N--CA 1.502 3.074 0 N-CA-C 110.779 -0.928 . . . . 18.41 110.779 -177.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.2 mt -73.65 -14.04 61.1 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 115.5 1.667 . . . . 20.989999999999998 115.5 167.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 50.37 49.21 21.07 Favored 'General case' 0 C--O 1.255 1.347 0 CA-C-O 122.411 1.101 . . . . 47.520000000000003 108.812 -172.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.6 p -123.05 144.03 33.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 107.257 -1.386 . . . . 15.93 107.257 172.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.6 p -71.85 154.87 40.98 Favored 'General case' 0 C--O 1.259 1.581 0 C-N-CA 117.797 -1.561 . . . . 18.440000000000001 110.434 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -59.08 -37.7 77.73 Favored 'General case' 0 N--CA 1.519 2.995 0 O-C-N 124.878 1.361 . . . . 24.920000000000002 109.868 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.5 t -61.16 -52.69 58.61 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 O-C-N 124.347 1.029 . . . . 20.75 110.833 -178.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.1 t -55.13 -45.12 77.05 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 N-CA-C 117.021 2.23 . . . . 18.030000000000001 117.021 173.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -55.37 -52.12 64.56 Favored 'General case' 0 C--O 1.279 2.618 0 O-C-N 120.661 -1.274 . . . . 17.460000000000001 113.415 173.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -65.62 -33.32 75.62 Favored 'General case' 0 CA--C 1.576 1.961 0 C-N-CA 117.045 -1.862 . . . . 19.050000000000001 111.355 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -66.91 -37.98 85.36 Favored 'General case' 0 C--O 1.264 1.835 0 O-C-N 121.51 -0.744 . . . . 17.059999999999999 110.322 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 91.4 mtp -65.44 -42.04 92.84 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 107.801 -1.185 . . . . 12.49 107.801 178.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.09 -44.47 97.31 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 120.971 -1.081 . . . . 16.02 111.457 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.9 mt -63.07 -44.79 99.75 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.411 0 N-CA-C 105.862 -1.903 . . . . 11.31 105.862 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -59.26 -44.77 92.4 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 117.858 -1.537 . . . . 46.07 111.555 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . 0.409 ' OE1' ' NZ ' ' A' ' 8' ' ' LYS . 33.0 tp10 -57.62 -46.08 84.55 Favored 'General case' 0 C--O 1.279 2.621 0 C-N-CA 119.537 -0.865 . . . . 22.329999999999998 111.91 -179.46 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.36 -52.42 60.31 Favored 'Isoleucine or valine' 0 C--O 1.274 2.362 0 N-CA-C 108.801 -0.814 . . . . 15.41 108.801 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.6 -42.43 98.86 Favored 'General case' 1 N--CA 1.547 4.415 0 N-CA-C 109.603 -0.517 . . . . 15.91 109.603 -175.278 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -89.29 -13.64 37.57 Favored 'General case' 0 C--O 1.246 0.91 0 O-C-N 120.856 -1.152 . . . . 21.84 111.652 -170.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -124.0 -11.85 7.54 Favored 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 117.202 2.297 . . . . 27.09 117.202 -172.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 t0 . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 117.922 -1.037 . . . . 38.539999999999999 110.869 179.994 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 C--O 1.272 2.238 0 N-CA-C 107.563 -1.273 . . . . 36.789999999999999 107.563 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -49.89 -47.29 52.13 Favored 'General case' 0 CA--C 1.569 1.69 0 CA-C-N 114.015 -1.448 . . . . 44.43 109.796 169.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.7 tp -63.86 -49.81 71.3 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.733 1.151 . . . . 26.670000000000002 109.5 -174.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 32.9 mt -54.22 -44.36 71.61 Favored 'General case' 0 C--O 1.273 2.32 0 C-N-CA 118.73 -1.188 . . . . 25.420000000000002 111.434 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 16.5 p -63.23 -36.62 84.27 Favored 'General case' 0 C--O 1.208 -1.103 0 C-N-CA 119.917 -0.713 . . . . 15.33 111.569 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . 0.517 ' NZ ' ' OE1' ' B' ' 74' ' ' GLU . 70.3 mmtt -83.39 -29.4 28.19 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 118.42 -1.312 . . . . 42.340000000000003 110.952 -176.067 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -57.93 -49.03 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.627 0 O-C-N 125.158 1.536 . . . . 13.630000000000001 109.524 170.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 49.9 m -61.04 -44.74 96.94 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.584 -1.323 . . . . 13.75 112.617 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -55.8 -52.2 64.82 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 114.187 -1.369 . . . . 27.969999999999999 113.273 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.19 -42.48 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 112.562 0.578 . . . . 13.359999999999999 112.562 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.28 -47.25 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 120.941 -1.099 . . . . 14.02 109.758 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.64 -38.75 87.55 Favored 'General case' 0 C--O 1.191 -1.997 0 CA-C-O 122.355 1.074 . . . . 23.379999999999999 110.531 -178.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -63.76 -49.18 74.0 Favored 'General case' 0 C--O 1.27 2.148 0 O-C-N 120.333 -1.479 . . . . 28.02 111.642 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 95.0 mt -61.94 -41.04 89.38 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 C-N-CA 118.473 -1.291 . . . . 16.719999999999999 111.328 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -55.4 -46.57 76.58 Favored 'General case' 0 C--O 1.284 2.895 0 C-N-CA 117.82 -1.552 . . . . 12.75 112.395 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.45 -33.91 69.78 Favored 'General case' 0 CA--C 1.582 2.187 0 C-N-CA 117.599 -1.64 . . . . 22.670000000000002 109.976 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.53 -29.42 69.11 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 119.02 0.827 . . . . 34.630000000000003 110.857 173.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -87.4 1.28 53.84 Favored 'General case' 0 N--CA 1.434 -1.229 0 O-C-N 120.377 -1.452 . . . . 41.409999999999997 113.072 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.67 32.89 83.16 Favored Glycine 0 N--CA 1.48 1.615 0 CA-C-O 122.921 1.29 . . . . 18.800000000000001 114.406 -175.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.9 mtp -102.91 144.92 30.58 Favored 'General case' 0 C--O 1.298 3.647 0 O-C-N 119.536 -2.155 . . . . 22.800000000000001 112.22 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 82.4 p -84.83 170.71 12.89 Favored 'General case' 0 C--O 1.281 2.74 0 O-C-N 125.527 1.767 . . . . 15.99 107.094 170.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 99.6 mt-30 -61.81 -40.02 93.79 Favored 'General case' 0 CA--C 1.501 -0.938 0 O-C-N 124.96 1.412 . . . . 14.85 111.192 174.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -60.57 -41.14 94.03 Favored 'General case' 0 N--CA 1.512 2.666 0 N-CA-C 113.932 1.086 . . . . 29.66 113.932 173.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.21 -48.36 81.91 Favored 'General case' 0 N--CA 1.512 2.639 0 O-C-N 125.026 1.453 . . . . 22.370000000000001 108.316 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 50.8 tp -66.15 -35.67 81.1 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 118.427 -1.309 . . . . 13.76 112.446 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.11 -47.45 77.11 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 106.756 -1.572 . . . . 14.52 106.756 -175.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.99 -48.04 83.65 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.266 -1.334 . . . . 34.170000000000002 110.778 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYS . . . . . 0.537 ' NZ ' ' O ' ' B' ' 59' ' ' GLY . 0.7 OUTLIER -69.29 -26.33 64.69 Favored 'General case' 0 C--O 1.261 1.674 0 N-CA-C 117.366 2.358 . . . . 50.719999999999999 117.366 178.881 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 85.6 p -97.04 -3.56 41.2 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.648 0.779 . . . . 14.44 109.674 -174.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.08 28.81 16.23 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 113.991 1.108 . . . . 23.149999999999999 113.991 -172.923 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt -126.08 139.01 53.73 Favored 'General case' 0 C--N 1.374 1.653 0 N-CA-C 103.335 -2.839 . . . . 13.09 103.335 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -56.05 149.56 15.35 Favored 'General case' 0 C--O 1.265 1.904 0 C-N-CA 115.509 -2.476 . . . . 14.949999999999999 112.914 -174.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -53.3 -40.32 64.66 Favored 'General case' 0 C--O 1.265 1.887 0 CA-C-N 113.704 -1.589 . . . . 37.700000000000003 111.407 -174.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 25.5 p -71.3 -27.11 63.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 119.153 -2.217 . . . . 20.460000000000001 110.004 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -63.28 -52.13 63.29 Favored 'General case' 0 C--O 1.247 0.96 0 N-CA-C 111.862 0.319 . . . . 15.789999999999999 111.862 170.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ILE . . . . . 0.564 ' C ' ' CA ' ' B' ' 39' ' ' SER . 25.1 mm -57.21 -51.36 70.27 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 C-N-CA 124.044 0.938 . . . . 10.16 108.627 177.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' SER . . . . . 0.693 ' CA ' ' N ' ' B' ' 40' ' ' GLY 0.55 1.8 t -61.32 -48.94 79.05 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 114.43 1.27 . . . . 11.73 114.43 176.531 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLY . . . . . 0.693 ' N ' ' CA ' ' B' ' 39' ' ' SER . . . -58.43 -46.34 93.2 Favored Glycine 0 N--CA 1.477 1.386 0 N-CA-C 109.11 -1.596 . . . . 12.76 109.11 -179.4 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 pp -75.68 -22.0 16.1 Favored 'Isoleucine or valine' 0 C--O 1.29 3.187 0 C-N-CA 116.338 -2.145 . . . . 14.789999999999999 111.328 -174.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -71.82 -29.78 64.78 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.78 0.718 . . . . 19.170000000000002 110.696 174.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -72.59 -45.62 58.23 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 114.183 1.179 . . . . 29.079999999999998 114.183 170.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -155.01 111.73 3.26 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 108.892 -0.781 . . . . 21.989999999999998 108.892 -176.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 77.6 p -82.03 3.57 26.19 Favored 'General case' 0 N--CA 1.517 2.911 0 N-CA-C 112.846 0.684 . . . . 21.030000000000001 112.846 -175.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -42.58 -48.74 5.45 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 113.498 0.925 . . . . 56.869999999999997 113.498 -175.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -101.63 7.48 42.11 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 115.072 1.508 . . . . 24.989999999999998 115.072 -174.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.98 132.76 54.93 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 107.955 -1.128 . . . . 13.34 107.955 171.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -96.93 166.63 11.52 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.426 -0.953 . . . . 12.9 108.426 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 46.5 mm -66.05 -36.85 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.88 0 C-N-CA 118.351 -1.34 . . . . 14.59 108.577 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -60.05 -48.68 80.69 Favored 'General case' 0 C--O 1.195 -1.783 0 C-N-CA 118.125 -1.43 . . . . 25.329999999999998 109.16 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.34 96.49 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 118.509 -1.276 . . . . 11.56 110.855 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.36 -42.15 99.17 Favored 'General case' 0 C--O 1.252 1.195 0 C-N-CA 120.27 -0.572 . . . . 12.210000000000001 111.226 177.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.54 -42.41 96.45 Favored 'General case' 0 N--CA 1.525 3.321 0 C-N-CA 118.903 -1.119 . . . . 45.109999999999999 112.759 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 73.0 mt -56.51 -43.48 79.79 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.634 1.346 . . . . 15.359999999999999 114.634 171.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.83 -41.25 89.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 CA-C-N 115.367 -0.833 . . . . 12.08 110.377 178.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' MET . . . . . 0.913 ' CG ' ' O ' ' B' ' 207' ' ' HOH . 37.7 mtm -68.03 -35.97 79.15 Favored 'General case' 0 C--O 1.184 -2.373 0 N-CA-C 107.439 -1.319 . . . . 31.690000000000001 107.439 -178.552 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -63.31 -41.41 98.94 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 121.591 -0.693 . . . . 17.329999999999998 111.864 173.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLY . . . . . 0.537 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . . . -71.79 -33.66 63.0 Favored Glycine 0 CA--C 1.465 -3.046 0 N-CA-C 109.513 -1.435 . . . . 17.640000000000001 109.513 -175.821 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.3 mt -72.68 -14.43 61.57 Favored 'General case' 0 C--O 1.29 3.216 0 N-CA-C 116.729 2.122 . . . . 20.0 116.729 169.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 48.78 49.37 19.06 Favored 'General case' 0 N--CA 1.505 2.282 0 C-N-CA 125.582 1.553 . . . . 49.009999999999998 109.37 -170.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 13.3 p -116.98 144.32 25.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 N-CA-C 106.681 -1.6 . . . . 20.73 106.681 168.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 78.6 p -75.72 156.14 34.97 Favored 'General case' 0 C--O 1.276 2.461 0 C-N-CA 118.3 -1.36 . . . . 21.09 108.048 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -57.25 -43.11 82.7 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 113.991 -1.459 . . . . 25.390000000000001 110.782 174.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.5 t -53.23 -49.22 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.588 0 O-C-N 124.232 0.958 . . . . 19.719999999999999 111.011 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.76 -42.57 92.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 122.73 1.253 . . . . 18.530000000000001 112.467 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -50.91 -55.33 17.66 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 115.915 1.82 . . . . 21.890000000000001 115.915 170.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -62.05 -34.7 76.74 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 114.415 -1.266 . . . . 17.75 111.042 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -68.8 -38.8 80.2 Favored 'General case' 0 C--O 1.276 2.452 0 C-N-CA 119.484 -0.887 . . . . 17.91 110.731 -179.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 94.1 mtp -64.82 -38.36 90.71 Favored 'General case' 0 N--CA 1.433 -1.314 0 O-C-N 121.283 -0.886 . . . . 22.0 109.723 177.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.6 tp -66.97 -44.84 79.46 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.443 -0.947 . . . . 16.460000000000001 108.443 -179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 63.5 mt -60.55 -47.04 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.969 0 C-N-CA 118.066 -1.454 . . . . 12.41 108.765 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -56.31 -44.29 79.77 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 118.359 -1.336 . . . . 36.560000000000002 112.334 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLU . . . . . 0.517 ' OE1' ' NZ ' ' B' ' 8' ' ' LYS . 53.7 tp10 -61.67 -41.77 98.01 Favored 'General case' 0 C--O 1.269 2.098 0 O-C-N 120.459 -1.401 . . . . 23.359999999999999 112.415 177.517 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.37 -48.03 87.0 Favored 'Isoleucine or valine' 0 C--O 1.275 2.428 0 CA-C-N 115.502 -0.772 . . . . 16.210000000000001 109.819 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 28.3 mt -68.81 -36.99 78.92 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 118.592 -1.243 . . . . 17.260000000000002 109.955 -173.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -86.56 -18.5 31.32 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 120.958 -1.089 . . . . 30.120000000000001 112.316 -173.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . 0.28 97.2 m-70 -121.29 -14.72 8.27 Favored 'General case' 0 CA--C 1.472 -2.046 0 N-CA-C 114.652 1.353 . . . . 32.289999999999999 114.652 -167.945 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 N--CA 1.488 1.43 0 O-C-N 121.238 -0.914 . . . . 41.770000000000003 111.446 -178.531 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . 0.909 ' O ' ' CG ' ' A' ' 57' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' 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 . . . . . 0.913 ' O ' ' CG ' ' B' ' 57' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.502 2.145 0 CA-C-O 120.922 0.391 . . . . 38.700000000000003 110.66 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . 0.642 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 50.2 t80 -52.7 -47.23 67.42 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 117.031 -1.461 . . . . 37.890000000000001 111.491 172.826 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.57 -47.51 83.51 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 119.291 0.95 . . . . 25.120000000000001 109.975 -177.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.45 HD21 ' HG3' ' A' ' 46' ' ' ARG . 7.3 mp -57.12 -44.69 83.55 Favored 'General case' 0 C--O 1.302 3.849 0 C-N-CA 119.296 -0.962 . . . . 26.789999999999999 112.061 178.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 p -64.39 -38.06 89.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.441 -0.799 . . . . 26.52 110.306 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.642 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 14.5 mmtt -82.09 -31.67 30.63 Favored 'General case' 0 N--CA 1.503 2.21 0 C-N-CA 117.075 -1.85 . . . . 45.93 109.608 -175.279 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.11 -50.22 56.29 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.66 0 C-N-CA 117.352 -1.739 . . . . 13.289999999999999 111.001 169.879 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.1 m -61.23 -43.74 98.39 Favored 'General case' 0 N--CA 1.528 3.461 0 O-C-N 120.187 -1.571 . . . . 15.539999999999999 112.126 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -55.82 -50.1 71.45 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 114.928 -1.033 . . . . 30.710000000000001 112.853 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.52 -40.68 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 C-N-CA 119.938 -0.705 . . . . 15.42 111.198 -176.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.43 -50.47 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.532 0 N-CA-C 108.557 -0.905 . . . . 12.949999999999999 108.557 176.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -65.23 -41.19 94.64 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 118.513 -1.275 . . . . 29.390000000000001 110.15 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -59.17 -48.89 79.94 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.098 1.147 . . . . 32.240000000000002 114.098 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.25 -42.09 94.38 Favored 'Isoleucine or valine' 0 C--O 1.281 2.741 0 C-N-CA 119.685 -0.806 . . . . 18.609999999999999 110.081 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -58.95 -40.98 86.3 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 116.861 -1.935 . . . . 14.75 111.111 -176.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.4 -38.58 68.39 Favored 'General case' 0 N--CA 1.504 2.248 0 CA-C-N 115.574 -0.739 . . . . 23.079999999999998 109.534 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.67 -29.8 66.86 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 113.289 0.848 . . . . 42.600000000000001 113.289 171.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -89.97 4.68 49.37 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.055 -0.658 . . . . 33.240000000000002 111.656 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.7 35.3 89.4 Favored Glycine 0 CA--C 1.541 1.686 0 N-CA-C 115.998 1.159 . . . . 22.02 115.998 -172.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 95.4 mtp -105.34 141.83 36.17 Favored 'General case' 0 C--O 1.291 3.258 0 O-C-N 120.046 -1.855 . . . . 24.059999999999999 107.942 -175.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -81.93 172.59 13.11 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 114.089 -1.414 . . . . 14.58 110.302 169.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.15 -39.39 94.53 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 118.12 -1.432 . . . . 13.9 111.362 174.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 35' ' ' ARG 0.267 2.3 mt-10 -59.16 -45.8 90.03 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 117.133 -1.413 . . . . 28.73 110.689 176.186 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -58.72 -48.63 80.49 Favored 'General case' 1 N--CA 1.549 4.481 0 CA-C-N 119.147 0.885 . . . . 24.41 109.532 175.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -65.8 -34.81 79.03 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 120.031 -1.668 . . . . 13.92 110.558 -177.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 -50.81 70.98 Favored 'General case' 0 C--O 1.284 2.899 0 O-C-N 120.945 -1.097 . . . . 14.06 109.184 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -59.66 -47.61 84.95 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 113.91 -1.496 . . . . 42.039999999999999 110.916 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -71.23 -25.58 62.55 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 115.215 1.561 . . . . 54.369999999999997 115.215 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.4 p -99.08 1.52 45.28 Favored 'General case' 0 C--O 1.284 2.889 0 CA-C-N 119.764 1.165 . . . . 15.81 112.805 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.7 t30 63.58 27.53 14.99 Favored 'General case' 0 C--O 1.267 2.008 0 CA-C-O 122.434 1.111 . . . . 24.41 113.188 -175.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.6 mt -123.88 136.47 54.38 Favored 'General case' 0 C--N 1.362 1.134 0 O-C-N 121.49 -0.756 . . . . 13.73 109.036 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -52.52 146.13 10.42 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 113.365 -3.334 . . . . 15.91 115.003 -173.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 25' ' ' GLU . 35.4 ttt180 -52.91 -38.17 61.54 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 113.118 -1.856 . . . . 32.009999999999998 112.915 -172.568 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.1 p -71.97 -30.24 65.07 Favored 'General case' 0 C--O 1.183 -2.424 0 O-C-N 120.661 -1.275 . . . . 21.649999999999999 108.881 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -62.83 -51.41 67.17 Favored 'General case' 0 C--O 1.27 2.148 0 C-N-CA 118.874 -1.131 . . . . 18.300000000000001 113.346 171.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . 0.755 ' C ' ' CA ' ' A' ' 39' ' ' SER . 43.3 mm -54.88 -50.2 63.75 Favored 'Isoleucine or valine' 0 C--O 1.276 2.451 0 N-CA-C 108.808 -0.812 . . . . 12.08 108.808 175.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . 0.755 ' CA ' ' C ' ' A' ' 38' ' ' ILE 1.029 37.1 t -77.55 -22.43 51.03 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-O 122.089 0.947 . . . . 19.09 113.459 -177.985 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . 0.653 ' N ' ' CA ' ' A' ' 39' ' ' SER . . . -53.52 -49.26 58.0 Favored Glycine 0 C--N 1.312 -0.802 0 C-N-CA 123.997 0.808 . . . . 13.81 111.435 175.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.64 -33.41 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.512 0 CA-C-N 117.874 0.837 . . . . 26.16 111.324 -178.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -76.7 -25.18 53.33 Favored 'General case' 0 C--O 1.2 -1.528 0 C-N-CA 118.381 -1.327 . . . . 20.09 108.32 -176.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -75.82 -44.46 41.01 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.019 0.528 . . . . 60.210000000000001 110.799 172.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . 0.495 ' HA ' ' O ' ' A' ' 207' ' ' HOH . 21.0 t-20 -158.02 114.54 2.84 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 118.376 -0.821 . . . . 29.190000000000001 109.197 -175.374 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 p -83.21 7.34 16.48 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 114.998 1.481 . . . . 23.809999999999999 114.998 -179.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . 0.45 ' HG3' HD21 ' A' ' 6' ' ' LEU . 4.5 ttt-85 -43.26 -48.95 6.78 Favored 'General case' 0 C--O 1.285 2.966 0 CA-C-N 119.76 1.164 . . . . 37.170000000000002 112.252 -178.063 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -103.41 6.83 37.95 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 119.396 -0.921 . . . . 28.030000000000001 112.92 -169.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.35 131.69 51.76 Favored 'General case' 0 C--O 1.284 2.916 0 N-CA-C 108.652 -0.87 . . . . 14.710000000000001 108.652 170.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.4 p -97.4 166.38 11.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.57 -1.331 . . . . 16.539999999999999 109.567 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.1 mm -67.19 -35.5 74.31 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.059 0 N-CA-C 106.409 -1.7 . . . . 15.92 106.409 -176.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -60.87 -48.86 79.89 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 117.982 -1.487 . . . . 39.990000000000002 111.605 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.64 84.25 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.59 -0.892 . . . . 10.890000000000001 108.59 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.1 tp -67.85 -37.58 82.05 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.922 1.237 . . . . 11.94 108.796 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . 0.571 ' HA ' ' HE2' ' A' ' 57' ' ' MET . 35.2 tt0 -63.71 -39.54 94.55 Favored 'General case' 0 N--CA 1.51 2.565 0 C-N-CA 119.291 -0.963 . . . . 47.469999999999999 112.959 174.598 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.05 -42.4 99.7 Favored 'General case' 0 N--CA 1.509 2.501 0 CA-C-O 121.82 0.819 . . . . 15.49 111.558 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.61 -41.82 93.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 121.589 -0.695 . . . . 11.960000000000001 112.19 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' MET . . . . . 1.184 ' HG2' ' O ' ' A' ' 216' ' ' HOH . 12.3 mtm -63.91 -41.67 97.62 Favored 'General case' 0 N--CA 1.514 2.732 0 N-CA-C 106.753 -1.573 . . . . 33.539999999999999 106.753 179.032 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -60.88 -44.23 97.37 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 117.972 -1.491 . . . . 55.399999999999999 113.953 175.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.79 -31.62 73.2 Favored Glycine 0 N--CA 1.502 3.074 0 N-CA-C 110.779 -0.928 . . . . 18.41 110.779 -177.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.2 mt -73.65 -14.04 61.1 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 115.5 1.667 . . . . 20.989999999999998 115.5 167.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 50.37 49.21 21.07 Favored 'General case' 0 C--O 1.255 1.347 0 CA-C-O 122.411 1.101 . . . . 47.520000000000003 108.812 -172.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.6 p -123.05 144.03 33.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 107.257 -1.386 . . . . 22.02 107.257 172.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.6 p -71.85 154.87 40.98 Favored 'General case' 0 C--O 1.259 1.581 0 C-N-CA 117.797 -1.561 . . . . 18.440000000000001 110.434 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -59.08 -37.7 77.73 Favored 'General case' 0 N--CA 1.519 2.995 0 O-C-N 124.878 1.361 . . . . 24.920000000000002 109.868 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.5 t -61.16 -52.69 58.61 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 O-C-N 124.347 1.029 . . . . 20.75 110.833 -178.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.1 t -55.13 -45.12 77.05 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 N-CA-C 117.021 2.23 . . . . 18.030000000000001 117.021 173.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -55.37 -52.12 64.56 Favored 'General case' 0 C--O 1.279 2.618 0 O-C-N 120.661 -1.274 . . . . 17.460000000000001 113.415 173.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -65.62 -33.32 75.62 Favored 'General case' 0 CA--C 1.576 1.961 0 C-N-CA 117.045 -1.862 . . . . 19.050000000000001 111.355 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -66.91 -37.98 85.36 Favored 'General case' 0 C--O 1.264 1.835 0 O-C-N 121.51 -0.744 . . . . 17.059999999999999 110.322 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 91.4 mtp -65.44 -42.04 92.84 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 107.801 -1.185 . . . . 21.57 107.801 178.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.09 -44.47 97.31 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 120.971 -1.081 . . . . 16.02 111.457 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.9 mt -63.07 -44.79 99.75 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.411 0 N-CA-C 105.862 -1.903 . . . . 11.31 105.862 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . 0.606 ' HE2' ' HE2' ' A' ' 77' ' ' LYS . 49.0 tttt -59.26 -44.77 92.4 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 117.858 -1.537 . . . . 46.07 111.555 -179.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . 0.641 ' CG ' ' HD2' ' A' ' 8' ' ' LYS . 33.0 tp10 -57.62 -46.08 84.55 Favored 'General case' 0 C--O 1.279 2.621 0 C-N-CA 119.537 -0.865 . . . . 22.329999999999998 111.91 -179.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.36 -52.42 60.31 Favored 'Isoleucine or valine' 0 C--O 1.274 2.362 0 N-CA-C 108.801 -0.814 . . . . 15.41 108.801 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 76' ' ' LEU . 43.5 mt -61.6 -42.43 98.86 Favored 'General case' 1 N--CA 1.547 4.415 0 N-CA-C 109.603 -0.517 . . . . 15.91 109.603 -175.278 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . 0.606 ' HE2' ' HE2' ' A' ' 73' ' ' LYS . 7.9 mttp -89.29 -13.64 37.57 Favored 'General case' 0 C--O 1.246 0.91 0 O-C-N 120.856 -1.152 . . . . 21.84 111.652 -170.647 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -124.0 -11.85 7.54 Favored 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 117.202 2.297 . . . . 27.09 117.202 -172.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 t0 . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 117.922 -1.037 . . . . 38.539999999999999 110.869 179.994 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 C--O 1.272 2.238 0 N-CA-C 107.563 -1.273 . . . . 36.789999999999999 107.563 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PHE . . . . . 0.576 ' CE1' ' HG3' ' B' ' 8' ' ' LYS . 44.4 t80 -49.89 -47.29 52.13 Favored 'General case' 0 CA--C 1.569 1.69 0 CA-C-N 114.015 -1.448 . . . . 44.43 109.796 169.605 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.7 tp -63.86 -49.81 71.3 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.733 1.151 . . . . 26.670000000000002 109.5 -174.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 32.9 mt -54.22 -44.36 71.61 Favored 'General case' 0 C--O 1.273 2.32 0 C-N-CA 118.73 -1.188 . . . . 25.420000000000002 111.434 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 16.5 p -63.23 -36.62 84.27 Favored 'General case' 0 C--O 1.208 -1.103 0 C-N-CA 119.917 -0.713 . . . . 25.600000000000001 111.569 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . 0.775 ' HD2' ' HG2' ' B' ' 74' ' ' GLU . 70.3 mmtt -83.39 -29.4 28.19 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 118.42 -1.312 . . . . 42.340000000000003 110.952 -176.067 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -57.93 -49.03 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.627 0 O-C-N 125.158 1.536 . . . . 13.630000000000001 109.524 170.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 49.9 m -61.04 -44.74 96.94 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.584 -1.323 . . . . 13.75 112.617 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -55.8 -52.2 64.82 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 114.187 -1.369 . . . . 27.969999999999999 113.273 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.19 -42.48 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 112.562 0.578 . . . . 13.359999999999999 112.562 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.28 -47.25 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 120.941 -1.099 . . . . 14.02 109.758 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.64 -38.75 87.55 Favored 'General case' 0 C--O 1.191 -1.997 0 CA-C-O 122.355 1.074 . . . . 23.379999999999999 110.531 -178.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.52 ' HE2' ' OE1' ' B' ' 19' ' ' GLU . 82.0 tttt -63.76 -49.18 74.0 Favored 'General case' 0 C--O 1.27 2.148 0 O-C-N 120.333 -1.479 . . . . 28.02 111.642 -178.442 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 95.0 mt -61.94 -41.04 89.38 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 C-N-CA 118.473 -1.291 . . . . 16.719999999999999 111.328 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -55.4 -46.57 76.58 Favored 'General case' 0 C--O 1.284 2.895 0 C-N-CA 117.82 -1.552 . . . . 12.75 112.395 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.45 -33.91 69.78 Favored 'General case' 0 CA--C 1.582 2.187 0 C-N-CA 117.599 -1.64 . . . . 22.670000000000002 109.976 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLU . . . . . 0.52 ' OE1' ' HE2' ' B' ' 15' ' ' LYS . 98.7 mt-10 -60.53 -29.42 69.11 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 119.02 0.827 . . . . 34.630000000000003 110.857 173.091 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -87.4 1.28 53.84 Favored 'General case' 0 N--CA 1.434 -1.229 0 O-C-N 120.377 -1.452 . . . . 41.409999999999997 113.072 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.67 32.89 83.16 Favored Glycine 0 N--CA 1.48 1.615 0 CA-C-O 122.921 1.29 . . . . 18.800000000000001 114.406 -175.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.9 mtp -102.91 144.92 30.58 Favored 'General case' 0 C--O 1.298 3.647 0 O-C-N 119.536 -2.155 . . . . 22.800000000000001 112.22 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 82.4 p -84.83 170.71 12.89 Favored 'General case' 0 C--O 1.281 2.74 0 O-C-N 125.527 1.767 . . . . 15.99 107.094 170.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 99.6 mt-30 -61.81 -40.02 93.79 Favored 'General case' 0 CA--C 1.501 -0.938 0 O-C-N 124.96 1.412 . . . . 14.85 111.192 174.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -60.57 -41.14 94.03 Favored 'General case' 0 N--CA 1.512 2.666 0 N-CA-C 113.932 1.086 . . . . 29.66 113.932 173.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.21 -48.36 81.91 Favored 'General case' 0 N--CA 1.512 2.639 0 O-C-N 125.026 1.453 . . . . 22.370000000000001 108.316 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 50.8 tp -66.15 -35.67 81.1 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 118.427 -1.309 . . . . 13.76 112.446 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.11 -47.45 77.11 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 106.756 -1.572 . . . . 14.52 106.756 -175.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.99 -48.04 83.65 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.266 -1.334 . . . . 34.170000000000002 110.778 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.29 -26.33 64.69 Favored 'General case' 0 C--O 1.261 1.674 0 N-CA-C 117.366 2.358 . . . . 50.719999999999999 117.366 178.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 85.6 p -97.04 -3.56 41.2 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.648 0.779 . . . . 20.969999999999999 109.674 -174.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 18.1 t30 63.08 28.81 16.23 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 113.991 1.108 . . . . 23.149999999999999 113.991 -172.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt -126.08 139.01 53.73 Favored 'General case' 0 C--N 1.374 1.653 0 N-CA-C 103.335 -2.839 . . . . 13.09 103.335 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -56.05 149.56 15.35 Favored 'General case' 0 C--O 1.265 1.904 0 C-N-CA 115.509 -2.476 . . . . 17.57 112.914 -174.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -53.3 -40.32 64.66 Favored 'General case' 0 C--O 1.265 1.887 0 CA-C-N 113.704 -1.589 . . . . 37.700000000000003 111.407 -174.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 25.5 p -71.3 -27.11 63.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 119.153 -2.217 . . . . 20.460000000000001 110.004 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -63.28 -52.13 63.29 Favored 'General case' 0 C--O 1.247 0.96 0 N-CA-C 111.862 0.319 . . . . 15.789999999999999 111.862 170.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ILE . . . . . 0.564 ' C ' ' CA ' ' B' ' 39' ' ' SER . 25.1 mm -57.21 -51.36 70.27 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 C-N-CA 124.044 0.938 . . . . 10.16 108.627 177.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' SER . . . . . 0.693 ' CA ' ' N ' ' B' ' 40' ' ' GLY 0.55 1.8 t -61.32 -48.94 79.05 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 114.43 1.27 . . . . 19.800000000000001 114.43 176.531 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLY . . . . . 0.693 ' N ' ' CA ' ' B' ' 39' ' ' SER . . . -58.43 -46.34 93.2 Favored Glycine 0 N--CA 1.477 1.386 0 N-CA-C 109.11 -1.596 . . . . 12.76 109.11 -179.4 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 pp -75.68 -22.0 16.1 Favored 'Isoleucine or valine' 0 C--O 1.29 3.187 0 C-N-CA 116.338 -2.145 . . . . 14.789999999999999 111.328 -174.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -71.82 -29.78 64.78 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.78 0.718 . . . . 19.170000000000002 110.696 174.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -72.59 -45.62 58.23 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 114.183 1.179 . . . . 29.079999999999998 114.183 170.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -155.01 111.73 3.26 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 108.892 -0.781 . . . . 21.989999999999998 108.892 -176.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 77.6 p -82.03 3.57 26.19 Favored 'General case' 0 N--CA 1.517 2.911 0 N-CA-C 112.846 0.684 . . . . 21.030000000000001 112.846 -175.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -42.58 -48.74 5.45 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 113.498 0.925 . . . . 56.869999999999997 113.498 -175.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -101.63 7.48 42.11 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 115.072 1.508 . . . . 24.989999999999998 115.072 -174.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.98 132.76 54.93 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 107.955 -1.128 . . . . 13.34 107.955 171.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -96.93 166.63 11.52 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.426 -0.953 . . . . 12.9 108.426 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 46.5 mm -66.05 -36.85 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.88 0 C-N-CA 118.351 -1.34 . . . . 14.59 108.577 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -60.05 -48.68 80.69 Favored 'General case' 0 C--O 1.195 -1.783 0 C-N-CA 118.125 -1.43 . . . . 25.329999999999998 109.16 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.34 96.49 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 118.509 -1.276 . . . . 11.56 110.855 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.36 -42.15 99.17 Favored 'General case' 0 C--O 1.252 1.195 0 C-N-CA 120.27 -0.572 . . . . 12.210000000000001 111.226 177.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.54 -42.41 96.45 Favored 'General case' 0 N--CA 1.525 3.321 0 C-N-CA 118.903 -1.119 . . . . 45.109999999999999 112.759 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 73.0 mt -56.51 -43.48 79.79 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.634 1.346 . . . . 15.359999999999999 114.634 171.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.83 -41.25 89.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 CA-C-N 115.367 -0.833 . . . . 12.08 110.377 178.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' MET . . . . . 1.292 ' HG2' ' O ' ' B' ' 207' ' ' HOH . 37.7 mtm -68.03 -35.97 79.15 Favored 'General case' 0 C--O 1.184 -2.373 0 N-CA-C 107.439 -1.319 . . . . 31.690000000000001 107.439 -178.552 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -63.31 -41.41 98.94 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 121.591 -0.693 . . . . 18.0 111.864 173.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.79 -33.66 63.0 Favored Glycine 0 CA--C 1.465 -3.046 0 N-CA-C 109.513 -1.435 . . . . 17.640000000000001 109.513 -175.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.3 mt -72.68 -14.43 61.57 Favored 'General case' 0 C--O 1.29 3.216 0 N-CA-C 116.729 2.122 . . . . 20.0 116.729 169.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 48.78 49.37 19.06 Favored 'General case' 0 N--CA 1.505 2.282 0 C-N-CA 125.582 1.553 . . . . 49.009999999999998 109.37 -170.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 13.3 p -116.98 144.32 25.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 N-CA-C 106.681 -1.6 . . . . 20.73 106.681 168.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 78.6 p -75.72 156.14 34.97 Favored 'General case' 0 C--O 1.276 2.461 0 C-N-CA 118.3 -1.36 . . . . 21.09 108.048 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -57.25 -43.11 82.7 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 113.991 -1.459 . . . . 25.390000000000001 110.782 174.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.5 t -53.23 -49.22 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.588 0 O-C-N 124.232 0.958 . . . . 19.719999999999999 111.011 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.76 -42.57 92.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 122.73 1.253 . . . . 18.530000000000001 112.467 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -50.91 -55.33 17.66 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 115.915 1.82 . . . . 21.890000000000001 115.915 170.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -62.05 -34.7 76.74 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 114.415 -1.266 . . . . 17.75 111.042 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -68.8 -38.8 80.2 Favored 'General case' 0 C--O 1.276 2.452 0 C-N-CA 119.484 -0.887 . . . . 17.91 110.731 -179.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 94.1 mtp -64.82 -38.36 90.71 Favored 'General case' 0 N--CA 1.433 -1.314 0 O-C-N 121.283 -0.886 . . . . 22.0 109.723 177.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.6 tp -66.97 -44.84 79.46 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.443 -0.947 . . . . 16.460000000000001 108.443 -179.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 63.5 mt -60.55 -47.04 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.969 0 C-N-CA 118.066 -1.454 . . . . 12.41 108.765 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LYS . . . . . 0.407 ' HG3' ' HD2' ' B' ' 77' ' ' LYS . 77.0 tttt -56.31 -44.29 79.77 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 118.359 -1.336 . . . . 36.560000000000002 112.334 179.23 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLU . . . . . 0.775 ' HG2' ' HD2' ' B' ' 8' ' ' LYS . 53.7 tp10 -61.67 -41.77 98.01 Favored 'General case' 0 C--O 1.269 2.098 0 O-C-N 120.459 -1.401 . . . . 23.359999999999999 112.415 177.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.37 -48.03 87.0 Favored 'Isoleucine or valine' 0 C--O 1.275 2.428 0 CA-C-N 115.502 -0.772 . . . . 16.210000000000001 109.819 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 76' ' ' LEU . 28.3 mt -68.81 -36.99 78.92 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 118.592 -1.243 . . . . 17.260000000000002 109.955 -173.475 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LYS . . . . . 0.407 ' HD2' ' HG3' ' B' ' 73' ' ' LYS . 13.4 mttp -86.56 -18.5 31.32 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 120.958 -1.089 . . . . 30.120000000000001 112.316 -173.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . 0.28 97.2 m-70 -121.29 -14.72 8.27 Favored 'General case' 0 CA--C 1.472 -2.046 0 N-CA-C 114.652 1.353 . . . . 32.289999999999999 114.652 -167.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 N--CA 1.488 1.43 0 O-C-N 121.238 -0.914 . . . . 41.770000000000003 111.446 -178.531 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.495 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . 1.184 ' O ' ' HG2' ' A' ' 57' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' 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 . . . . . 1.292 ' O ' ' HG2' ' B' ' 57' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . 0.445 ' O ' ' HB3' ' B' ' 4' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.502 2.145 0 CA-C-O 120.922 0.391 . . . . 38.700000000000003 110.66 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.642 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 50.2 t80 -52.7 -47.23 67.42 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 117.031 -1.461 . . . . 37.890000000000001 111.491 172.826 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.57 -47.51 83.51 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 119.291 0.95 . . . . 25.120000000000001 109.975 -177.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.45 HD21 ' HG3' ' A' ' 46' ' ' ARG . 7.3 mp -57.12 -44.69 83.55 Favored 'General case' 0 C--O 1.302 3.849 0 C-N-CA 119.296 -0.962 . . . . 26.789999999999999 112.061 178.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 p -64.39 -38.06 89.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.441 -0.799 . . . . 26.52 110.306 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.642 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 14.5 mmtt -82.09 -31.67 30.63 Favored 'General case' 0 N--CA 1.503 2.21 0 C-N-CA 117.075 -1.85 . . . . 45.93 109.608 -175.279 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.11 -50.22 56.29 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.66 0 C-N-CA 117.352 -1.739 . . . . 13.289999999999999 111.001 169.879 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.1 m -61.23 -43.74 98.39 Favored 'General case' 0 N--CA 1.528 3.461 0 O-C-N 120.187 -1.571 . . . . 15.539999999999999 112.126 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -55.82 -50.1 71.45 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 114.928 -1.033 . . . . 30.710000000000001 112.853 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.52 -40.68 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 C-N-CA 119.938 -0.705 . . . . 15.42 111.198 -176.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.43 -50.47 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.532 0 N-CA-C 108.557 -0.905 . . . . 12.949999999999999 108.557 176.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -65.23 -41.19 94.64 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 118.513 -1.275 . . . . 29.390000000000001 110.15 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -59.17 -48.89 79.94 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.098 1.147 . . . . 32.240000000000002 114.098 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.25 -42.09 94.38 Favored 'Isoleucine or valine' 0 C--O 1.281 2.741 0 C-N-CA 119.685 -0.806 . . . . 18.609999999999999 110.081 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -58.95 -40.98 86.3 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 116.861 -1.935 . . . . 14.75 111.111 -176.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.4 -38.58 68.39 Favored 'General case' 0 N--CA 1.504 2.248 0 CA-C-N 115.574 -0.739 . . . . 23.079999999999998 109.534 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.67 -29.8 66.86 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 113.289 0.848 . . . . 42.600000000000001 113.289 171.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -89.97 4.68 49.37 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.055 -0.658 . . . . 33.240000000000002 111.656 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.7 35.3 89.4 Favored Glycine 0 CA--C 1.541 1.686 0 N-CA-C 115.998 1.159 . . . . 22.02 115.998 -172.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 95.4 mtp -105.34 141.83 36.17 Favored 'General case' 0 C--O 1.291 3.258 0 O-C-N 120.046 -1.855 . . . . 24.059999999999999 107.942 -175.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -81.93 172.59 13.11 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-N 114.089 -1.414 . . . . 14.58 110.302 169.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.15 -39.39 94.53 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 118.12 -1.432 . . . . 13.9 111.362 174.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 35' ' ' ARG 0.267 2.3 mt-10 -59.16 -45.8 90.03 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-O 117.133 -1.413 . . . . 28.73 110.689 176.186 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -58.72 -48.63 80.49 Favored 'General case' 1 N--CA 1.549 4.481 0 CA-C-N 119.147 0.885 . . . . 24.41 109.532 175.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -65.8 -34.81 79.03 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 120.031 -1.668 . . . . 13.92 110.558 -177.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 -50.81 70.98 Favored 'General case' 0 C--O 1.284 2.899 0 O-C-N 120.945 -1.097 . . . . 14.06 109.184 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -59.66 -47.61 84.95 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 113.91 -1.496 . . . . 42.039999999999999 110.916 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -71.23 -25.58 62.55 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 115.215 1.561 . . . . 54.369999999999997 115.215 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.4 p -99.08 1.52 45.28 Favored 'General case' 0 C--O 1.284 2.889 0 CA-C-N 119.764 1.165 . . . . 15.81 112.805 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.58 27.53 14.99 Favored 'General case' 0 C--O 1.267 2.008 0 CA-C-O 122.434 1.111 . . . . 24.41 113.188 -175.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.6 mt -123.88 136.47 54.38 Favored 'General case' 0 C--N 1.362 1.134 0 O-C-N 121.49 -0.756 . . . . 13.73 109.036 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -52.52 146.13 10.42 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 113.365 -3.334 . . . . 15.91 115.003 -173.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 25' ' ' GLU . 35.4 ttt180 -52.91 -38.17 61.54 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 113.118 -1.856 . . . . 32.009999999999998 112.915 -172.568 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.1 p -71.97 -30.24 65.07 Favored 'General case' 0 C--O 1.183 -2.424 0 O-C-N 120.661 -1.275 . . . . 21.649999999999999 108.881 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -62.83 -51.41 67.17 Favored 'General case' 0 C--O 1.27 2.148 0 C-N-CA 118.874 -1.131 . . . . 18.300000000000001 113.346 171.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.755 ' C ' ' CA ' ' A' ' 39' ' ' SER . 43.3 mm -54.88 -50.2 63.75 Favored 'Isoleucine or valine' 0 C--O 1.276 2.451 0 N-CA-C 108.808 -0.812 . . . . 12.08 108.808 175.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . 0.755 ' CA ' ' C ' ' A' ' 38' ' ' ILE 1.029 37.1 t -77.55 -22.43 51.03 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-O 122.089 0.947 . . . . 19.09 113.459 -177.985 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.653 ' N ' ' CA ' ' A' ' 39' ' ' SER . . . -53.52 -49.26 58.0 Favored Glycine 0 C--N 1.312 -0.802 0 C-N-CA 123.997 0.808 . . . . 13.81 111.435 175.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.64 -33.41 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.512 0 CA-C-N 117.874 0.837 . . . . 26.16 111.324 -178.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -76.7 -25.18 53.33 Favored 'General case' 0 C--O 1.2 -1.528 0 C-N-CA 118.381 -1.327 . . . . 20.09 108.32 -176.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -75.82 -44.46 41.01 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.019 0.528 . . . . 60.210000000000001 110.799 172.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.549 HD21 ' HE ' ' A' ' 46' ' ' ARG . 21.0 t-20 -158.02 114.54 2.84 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 118.376 -0.821 . . . . 29.190000000000001 109.197 -175.374 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 p -83.21 7.34 16.48 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 114.998 1.481 . . . . 23.809999999999999 114.998 -179.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.549 ' HE ' HD21 ' A' ' 44' ' ' ASN . 4.5 ttt-85 -43.26 -48.95 6.78 Favored 'General case' 0 C--O 1.285 2.966 0 CA-C-N 119.76 1.164 . . . . 37.170000000000002 112.252 -178.063 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -103.41 6.83 37.95 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 119.396 -0.921 . . . . 28.030000000000001 112.92 -169.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.35 131.69 51.76 Favored 'General case' 0 C--O 1.284 2.916 0 N-CA-C 108.652 -0.87 . . . . 14.710000000000001 108.652 170.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.4 p -97.4 166.38 11.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.57 -1.331 . . . . 16.539999999999999 109.567 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.1 mm -67.19 -35.5 74.31 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.059 0 N-CA-C 106.409 -1.7 . . . . 15.92 106.409 -176.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -60.87 -48.86 79.89 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 117.982 -1.487 . . . . 39.990000000000002 111.605 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.64 84.25 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.59 -0.892 . . . . 10.890000000000001 108.59 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.1 tp -67.85 -37.58 82.05 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.922 1.237 . . . . 11.94 108.796 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.571 ' HA ' ' HE2' ' A' ' 57' ' ' MET . 35.2 tt0 -63.71 -39.54 94.55 Favored 'General case' 0 N--CA 1.51 2.565 0 C-N-CA 119.291 -0.963 . . . . 47.469999999999999 112.959 174.598 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.05 -42.4 99.7 Favored 'General case' 0 N--CA 1.509 2.501 0 CA-C-O 121.82 0.819 . . . . 15.49 111.558 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.61 -41.82 93.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 121.589 -0.695 . . . . 11.960000000000001 112.19 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' MET . . . . . 1.184 ' HG2' ' O ' ' A' ' 216' ' ' HOH . 12.3 mtm -63.91 -41.67 97.62 Favored 'General case' 0 N--CA 1.514 2.732 0 N-CA-C 106.753 -1.573 . . . . 33.539999999999999 106.753 179.032 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -60.88 -44.23 97.37 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 117.972 -1.491 . . . . 55.399999999999999 113.953 175.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.79 -31.62 73.2 Favored Glycine 0 N--CA 1.502 3.074 0 N-CA-C 110.779 -0.928 . . . . 18.41 110.779 -177.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.2 mt -73.65 -14.04 61.1 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 115.5 1.667 . . . . 20.989999999999998 115.5 167.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 50.37 49.21 21.07 Favored 'General case' 0 C--O 1.255 1.347 0 CA-C-O 122.411 1.101 . . . . 47.520000000000003 108.812 -172.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.6 p -123.05 144.03 33.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 N-CA-C 107.257 -1.386 . . . . 22.02 107.257 172.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.6 p -71.85 154.87 40.98 Favored 'General case' 0 C--O 1.259 1.581 0 C-N-CA 117.797 -1.561 . . . . 18.440000000000001 110.434 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -59.08 -37.7 77.73 Favored 'General case' 0 N--CA 1.519 2.995 0 O-C-N 124.878 1.361 . . . . 24.920000000000002 109.868 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.5 t -61.16 -52.69 58.61 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 O-C-N 124.347 1.029 . . . . 20.75 110.833 -178.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.1 t -55.13 -45.12 77.05 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 N-CA-C 117.021 2.23 . . . . 18.030000000000001 117.021 173.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -55.37 -52.12 64.56 Favored 'General case' 0 C--O 1.279 2.618 0 O-C-N 120.661 -1.274 . . . . 17.460000000000001 113.415 173.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -65.62 -33.32 75.62 Favored 'General case' 0 CA--C 1.576 1.961 0 C-N-CA 117.045 -1.862 . . . . 19.050000000000001 111.355 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -66.91 -37.98 85.36 Favored 'General case' 0 C--O 1.264 1.835 0 O-C-N 121.51 -0.744 . . . . 17.059999999999999 110.322 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 91.4 mtp -65.44 -42.04 92.84 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 107.801 -1.185 . . . . 21.57 107.801 178.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.09 -44.47 97.31 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 120.971 -1.081 . . . . 16.02 111.457 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.9 mt -63.07 -44.79 99.75 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.411 0 N-CA-C 105.862 -1.903 . . . . 11.31 105.862 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.606 ' HE2' ' HE2' ' A' ' 77' ' ' LYS . 49.0 tttt -59.26 -44.77 92.4 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 117.858 -1.537 . . . . 46.07 111.555 -179.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.641 ' CG ' ' HD2' ' A' ' 8' ' ' LYS . 33.0 tp10 -57.62 -46.08 84.55 Favored 'General case' 0 C--O 1.279 2.621 0 C-N-CA 119.537 -0.865 . . . . 22.329999999999998 111.91 -179.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.36 -52.42 60.31 Favored 'Isoleucine or valine' 0 C--O 1.274 2.362 0 N-CA-C 108.801 -0.814 . . . . 15.41 108.801 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 76' ' ' LEU . 43.5 mt -61.6 -42.43 98.86 Favored 'General case' 1 N--CA 1.547 4.415 0 N-CA-C 109.603 -0.517 . . . . 15.91 109.603 -175.278 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.606 ' HE2' ' HE2' ' A' ' 73' ' ' LYS . 7.9 mttp -89.29 -13.64 37.57 Favored 'General case' 0 C--O 1.246 0.91 0 O-C-N 120.856 -1.152 . . . . 21.84 111.652 -170.647 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -124.0 -11.85 7.54 Favored 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 117.202 2.297 . . . . 27.09 117.202 -172.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 t0 . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 117.922 -1.037 . . . . 38.539999999999999 110.869 179.994 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 C--O 1.272 2.238 0 N-CA-C 107.563 -1.273 . . . . 36.789999999999999 107.563 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.576 ' CE1' ' HG3' ' B' ' 8' ' ' LYS . 44.4 t80 -49.89 -47.29 52.13 Favored 'General case' 0 CA--C 1.569 1.69 0 CA-C-N 114.015 -1.448 . . . . 44.43 109.796 169.605 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.7 tp -63.86 -49.81 71.3 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.733 1.151 . . . . 26.670000000000002 109.5 -174.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 32.9 mt -54.22 -44.36 71.61 Favored 'General case' 0 C--O 1.273 2.32 0 C-N-CA 118.73 -1.188 . . . . 25.420000000000002 111.434 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 16.5 p -63.23 -36.62 84.27 Favored 'General case' 0 C--O 1.208 -1.103 0 C-N-CA 119.917 -0.713 . . . . 25.600000000000001 111.569 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.775 ' HD2' ' HG2' ' B' ' 74' ' ' GLU . 70.3 mmtt -83.39 -29.4 28.19 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 118.42 -1.312 . . . . 42.340000000000003 110.952 -176.067 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -57.93 -49.03 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.627 0 O-C-N 125.158 1.536 . . . . 13.630000000000001 109.524 170.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 49.9 m -61.04 -44.74 96.94 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.584 -1.323 . . . . 13.75 112.617 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -55.8 -52.2 64.82 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 114.187 -1.369 . . . . 27.969999999999999 113.273 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.19 -42.48 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 112.562 0.578 . . . . 13.359999999999999 112.562 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.28 -47.25 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 120.941 -1.099 . . . . 14.02 109.758 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.64 -38.75 87.55 Favored 'General case' 0 C--O 1.191 -1.997 0 CA-C-O 122.355 1.074 . . . . 23.379999999999999 110.531 -178.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.52 ' HE2' ' OE1' ' B' ' 19' ' ' GLU . 82.0 tttt -63.76 -49.18 74.0 Favored 'General case' 0 C--O 1.27 2.148 0 O-C-N 120.333 -1.479 . . . . 28.02 111.642 -178.442 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 95.0 mt -61.94 -41.04 89.38 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 C-N-CA 118.473 -1.291 . . . . 16.719999999999999 111.328 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -55.4 -46.57 76.58 Favored 'General case' 0 C--O 1.284 2.895 0 C-N-CA 117.82 -1.552 . . . . 12.75 112.395 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.45 -33.91 69.78 Favored 'General case' 0 CA--C 1.582 2.187 0 C-N-CA 117.599 -1.64 . . . . 22.670000000000002 109.976 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.52 ' OE1' ' HE2' ' B' ' 15' ' ' LYS . 98.7 mt-10 -60.53 -29.42 69.11 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 119.02 0.827 . . . . 34.630000000000003 110.857 173.091 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -87.4 1.28 53.84 Favored 'General case' 0 N--CA 1.434 -1.229 0 O-C-N 120.377 -1.452 . . . . 41.409999999999997 113.072 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.67 32.89 83.16 Favored Glycine 0 N--CA 1.48 1.615 0 CA-C-O 122.921 1.29 . . . . 18.800000000000001 114.406 -175.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.9 mtp -102.91 144.92 30.58 Favored 'General case' 0 C--O 1.298 3.647 0 O-C-N 119.536 -2.155 . . . . 22.800000000000001 112.22 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 82.4 p -84.83 170.71 12.89 Favored 'General case' 0 C--O 1.281 2.74 0 O-C-N 125.527 1.767 . . . . 15.99 107.094 170.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 99.6 mt-30 -61.81 -40.02 93.79 Favored 'General case' 0 CA--C 1.501 -0.938 0 O-C-N 124.96 1.412 . . . . 14.85 111.192 174.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -60.57 -41.14 94.03 Favored 'General case' 0 N--CA 1.512 2.666 0 N-CA-C 113.932 1.086 . . . . 29.66 113.932 173.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.21 -48.36 81.91 Favored 'General case' 0 N--CA 1.512 2.639 0 O-C-N 125.026 1.453 . . . . 22.370000000000001 108.316 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 50.8 tp -66.15 -35.67 81.1 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 118.427 -1.309 . . . . 13.76 112.446 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.11 -47.45 77.11 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 106.756 -1.572 . . . . 14.52 106.756 -175.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.99 -48.04 83.65 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.266 -1.334 . . . . 34.170000000000002 110.778 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.29 -26.33 64.69 Favored 'General case' 0 C--O 1.261 1.674 0 N-CA-C 117.366 2.358 . . . . 50.719999999999999 117.366 178.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 85.6 p -97.04 -3.56 41.2 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.648 0.779 . . . . 20.969999999999999 109.674 -174.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.08 28.81 16.23 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 113.991 1.108 . . . . 23.149999999999999 113.991 -172.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt -126.08 139.01 53.73 Favored 'General case' 0 C--N 1.374 1.653 0 N-CA-C 103.335 -2.839 . . . . 13.09 103.335 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -56.05 149.56 15.35 Favored 'General case' 0 C--O 1.265 1.904 0 C-N-CA 115.509 -2.476 . . . . 17.57 112.914 -174.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -53.3 -40.32 64.66 Favored 'General case' 0 C--O 1.265 1.887 0 CA-C-N 113.704 -1.589 . . . . 37.700000000000003 111.407 -174.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 25.5 p -71.3 -27.11 63.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 119.153 -2.217 . . . . 20.460000000000001 110.004 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -63.28 -52.13 63.29 Favored 'General case' 0 C--O 1.247 0.96 0 N-CA-C 111.862 0.319 . . . . 15.789999999999999 111.862 170.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.564 ' C ' ' CA ' ' B' ' 39' ' ' SER . 25.1 mm -57.21 -51.36 70.27 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 C-N-CA 124.044 0.938 . . . . 10.16 108.627 177.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' SER . . . . . 0.693 ' CA ' ' N ' ' B' ' 40' ' ' GLY 0.55 1.8 t -61.32 -48.94 79.05 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 114.43 1.27 . . . . 19.800000000000001 114.43 176.531 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.693 ' N ' ' CA ' ' B' ' 39' ' ' SER . . . -58.43 -46.34 93.2 Favored Glycine 0 N--CA 1.477 1.386 0 N-CA-C 109.11 -1.596 . . . . 12.76 109.11 -179.4 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 pp -75.68 -22.0 16.1 Favored 'Isoleucine or valine' 0 C--O 1.29 3.187 0 C-N-CA 116.338 -2.145 . . . . 14.789999999999999 111.328 -174.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -71.82 -29.78 64.78 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.78 0.718 . . . . 19.170000000000002 110.696 174.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -72.59 -45.62 58.23 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 114.183 1.179 . . . . 29.079999999999998 114.183 170.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -155.01 111.73 3.26 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 108.892 -0.781 . . . . 21.989999999999998 108.892 -176.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 77.6 p -82.03 3.57 26.19 Favored 'General case' 0 N--CA 1.517 2.911 0 N-CA-C 112.846 0.684 . . . . 21.030000000000001 112.846 -175.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -42.58 -48.74 5.45 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 113.498 0.925 . . . . 56.869999999999997 113.498 -175.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -101.63 7.48 42.11 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 115.072 1.508 . . . . 24.989999999999998 115.072 -174.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.98 132.76 54.93 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 107.955 -1.128 . . . . 13.34 107.955 171.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 41.7 p -96.93 166.63 11.52 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.426 -0.953 . . . . 12.9 108.426 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 46.5 mm -66.05 -36.85 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.88 0 C-N-CA 118.351 -1.34 . . . . 14.59 108.577 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -60.05 -48.68 80.69 Favored 'General case' 0 C--O 1.195 -1.783 0 C-N-CA 118.125 -1.43 . . . . 25.329999999999998 109.16 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.34 96.49 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 118.509 -1.276 . . . . 11.56 110.855 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.36 -42.15 99.17 Favored 'General case' 0 C--O 1.252 1.195 0 C-N-CA 120.27 -0.572 . . . . 12.210000000000001 111.226 177.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.54 -42.41 96.45 Favored 'General case' 0 N--CA 1.525 3.321 0 C-N-CA 118.903 -1.119 . . . . 45.109999999999999 112.759 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 73.0 mt -56.51 -43.48 79.79 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.634 1.346 . . . . 15.359999999999999 114.634 171.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.83 -41.25 89.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 CA-C-N 115.367 -0.833 . . . . 12.08 110.377 178.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' MET . . . . . 1.292 ' HG2' ' O ' ' B' ' 207' ' ' HOH . 37.7 mtm -68.03 -35.97 79.15 Favored 'General case' 0 C--O 1.184 -2.373 0 N-CA-C 107.439 -1.319 . . . . 31.690000000000001 107.439 -178.552 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -63.31 -41.41 98.94 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 121.591 -0.693 . . . . 18.0 111.864 173.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.79 -33.66 63.0 Favored Glycine 0 CA--C 1.465 -3.046 0 N-CA-C 109.513 -1.435 . . . . 17.640000000000001 109.513 -175.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.3 mt -72.68 -14.43 61.57 Favored 'General case' 0 C--O 1.29 3.216 0 N-CA-C 116.729 2.122 . . . . 20.0 116.729 169.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 48.78 49.37 19.06 Favored 'General case' 0 N--CA 1.505 2.282 0 C-N-CA 125.582 1.553 . . . . 49.009999999999998 109.37 -170.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 13.3 p -116.98 144.32 25.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 N-CA-C 106.681 -1.6 . . . . 20.73 106.681 168.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 78.6 p -75.72 156.14 34.97 Favored 'General case' 0 C--O 1.276 2.461 0 C-N-CA 118.3 -1.36 . . . . 21.09 108.048 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -57.25 -43.11 82.7 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 113.991 -1.459 . . . . 25.390000000000001 110.782 174.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.5 t -53.23 -49.22 52.97 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.588 0 O-C-N 124.232 0.958 . . . . 19.719999999999999 111.011 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.76 -42.57 92.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 122.73 1.253 . . . . 18.530000000000001 112.467 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -50.91 -55.33 17.66 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 115.915 1.82 . . . . 21.890000000000001 115.915 170.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -62.05 -34.7 76.74 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 114.415 -1.266 . . . . 17.75 111.042 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -68.8 -38.8 80.2 Favored 'General case' 0 C--O 1.276 2.452 0 C-N-CA 119.484 -0.887 . . . . 17.91 110.731 -179.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 94.1 mtp -64.82 -38.36 90.71 Favored 'General case' 0 N--CA 1.433 -1.314 0 O-C-N 121.283 -0.886 . . . . 22.0 109.723 177.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.6 tp -66.97 -44.84 79.46 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.443 -0.947 . . . . 16.460000000000001 108.443 -179.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 63.5 mt -60.55 -47.04 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.969 0 C-N-CA 118.066 -1.454 . . . . 12.41 108.765 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.407 ' HG3' ' HD2' ' B' ' 77' ' ' LYS . 77.0 tttt -56.31 -44.29 79.77 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 118.359 -1.336 . . . . 36.560000000000002 112.334 179.23 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.775 ' HG2' ' HD2' ' B' ' 8' ' ' LYS . 53.7 tp10 -61.67 -41.77 98.01 Favored 'General case' 0 C--O 1.269 2.098 0 O-C-N 120.459 -1.401 . . . . 23.359999999999999 112.415 177.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.37 -48.03 87.0 Favored 'Isoleucine or valine' 0 C--O 1.275 2.428 0 CA-C-N 115.502 -0.772 . . . . 16.210000000000001 109.819 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 76' ' ' LEU . 28.3 mt -68.81 -36.99 78.92 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 118.592 -1.243 . . . . 17.260000000000002 109.955 -173.475 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.407 ' HD2' ' HG3' ' B' ' 73' ' ' LYS . 13.4 mttp -86.56 -18.5 31.32 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 120.958 -1.089 . . . . 30.120000000000001 112.316 -173.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . 0.28 97.2 m-70 -121.29 -14.72 8.27 Favored 'General case' 0 CA--C 1.472 -2.046 0 N-CA-C 114.652 1.353 . . . . 32.289999999999999 114.652 -167.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 N--CA 1.488 1.43 0 O-C-N 121.238 -0.914 . . . . 41.770000000000003 111.446 -178.531 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.495 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . 1.184 ' O ' ' HG2' ' A' ' 57' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' 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 . . . . . 1.292 ' O ' ' HG2' ' B' ' 57' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . 0.445 ' O ' ' HB3' ' B' ' 4' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_