data_3kpe_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 3kpe _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 ' 159' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 111.097 0.036 . . . . 54.140000000000001 111.097 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.2 tp -61.66 -38.35 87.42 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.619 1.34 . . . . 54.759999999999998 114.619 -173.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -62.27 -31.23 71.78 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.551 -0.459 . . . . 55.009999999999998 109.859 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -60.25 -45.41 96.14 Favored Glycine 0 C--O 1.238 0.372 0 N-CA-C 109.823 -1.311 . . . . 47.030000000000001 109.823 174.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.5 -49.4 75.52 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.015 0.436 . . . . 50.5 110.988 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' VAL . . . . . . . . . . . . . 50.6 t -55.05 -39.24 49.19 Favored 'Isoleucine or valine' 0 C--O 1.244 0.81 0 CA-C-N 116.055 -0.52 . . . . 39.479999999999997 109.91 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.06 -37.14 83.51 Favored 'General case' 0 C--O 1.244 0.775 0 N-CA-C 113.694 0.998 . . . . 44.789999999999999 113.694 179.266 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.203 -1.036 . . . . 39.82 108.203 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.63 -40.28 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 121.199 -0.2 . . . . 26.809999999999999 111.372 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -60.53 -47.79 84.63 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.554 -0.906 . . . . 32.700000000000003 108.554 176.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.8 m -61.02 -42.32 98.24 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.536 -0.727 . . . . 27.760000000000002 111.578 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.22 87.18 Favored 'General case' 0 C--O 1.248 0.985 0 N-CA-C 109.787 -0.449 . . . . 18.050000000000001 109.787 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 17.5 tp -66.83 -36.87 83.34 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 110.224 -0.287 . . . . 18.280000000000001 110.224 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.63 -39.19 79.79 Favored 'General case' 0 C--O 1.254 1.298 0 O-C-N 119.659 -1.901 . . . . 23.710000000000001 111.013 173.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 8.0 t -68.45 -45.57 72.15 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.479 0.581 . . . . 17.690000000000001 110.171 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 95.2 m -55.52 -40.31 71.66 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 121.651 -0.656 . . . . 14.85 110.639 174.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -64.81 -42.13 95.24 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 118.007 0.367 . . . . 15.57 110.99 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -60.87 -36.71 79.88 Favored 'General case' 0 C--O 1.259 1.564 0 O-C-N 120.667 -1.271 . . . . 32.350000000000001 111.275 173.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -58.87 -43.74 90.91 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.873 0.844 . . . . 14.15 112.275 173.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 79.6 t -70.8 -38.73 73.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 C-N-CA 119.829 -0.748 . . . . 14.050000000000001 109.378 -176.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.04 -46.98 93.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 120.45 -1.406 . . . . 16.760000000000002 111.42 174.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 49.0 m -57.14 -49.21 76.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 O-C-N 121.064 -1.022 . . . . 16.469999999999999 111.335 179.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.68 -41.41 98.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 118.871 -0.585 . . . . 14.890000000000001 110.064 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 67.4 m -59.72 -42.08 92.31 Favored 'General case' 0 C--O 1.252 1.216 0 N-CA-C 109.957 -0.386 . . . . 16.800000000000001 109.957 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -65.34 -39.94 93.03 Favored 'General case' 0 C--O 1.249 1.06 0 C-N-CA 119.726 -0.79 . . . . 31.699999999999999 111.81 178.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -61.46 -44.83 97.51 Favored Glycine 0 CA--C 1.538 1.478 0 O-C-N 120.139 -1.601 . . . . 14.48 112.854 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.69 -36.42 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.159 -1.2 . . . . 13.880000000000001 110.671 175.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 35.6 t -58.37 -49.59 76.68 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.523 1.056 . . . . 16.010000000000002 110.527 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.35 -45.64 97.61 Favored 'Isoleucine or valine' 0 C--O 1.246 0.889 0 O-C-N 120.104 -1.623 . . . . 16.789999999999999 109.716 177.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.36 -43.85 92.77 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.128 -0.982 . . . . 15.0 110.429 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' THR . . . . . . . . . . . . . 76.3 m -56.86 -45.05 82.73 Favored 'General case' 0 C--O 1.26 1.636 0 CA-C-O 121.779 0.799 . . . . 13.6 109.854 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 83.8 p -58.77 -41.94 87.79 Favored 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 121.621 -0.675 . . . . 16.140000000000001 110.71 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -69.3 -35.23 75.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 118.6 0.636 . . . . 27.649999999999999 111.317 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.98 -43.42 92.68 Favored 'Isoleucine or valine' 0 C--O 1.266 1.928 0 CA-C-N 119.321 0.964 . . . . 15.220000000000001 109.399 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.73 -39.75 92.67 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.814 -0.754 . . . . 17.800000000000001 111.045 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.87 -42.91 98.85 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 121.379 -0.825 . . . . 21.57 110.97 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.73 -42.59 95.09 Favored 'General case' 0 C--O 1.253 1.249 0 O-C-N 120.535 -1.353 . . . . 15.56 109.752 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -60.52 -46.39 90.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.058 -1.026 . . . . 17.93 110.197 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -64.96 -39.64 93.79 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.851 -0.531 . . . . 24.399999999999999 111.846 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -59.22 -47.58 84.8 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 120.335 -1.478 . . . . 22.350000000000001 110.986 175.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 36.7 mt -58.48 -49.97 80.44 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 C-N-CA 120.144 -0.622 . . . . 24.059999999999999 111.135 177.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -71.36 -32.08 68.09 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 113.879 1.066 . . . . 22.149999999999999 113.879 -175.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -109.89 -16.85 13.77 Favored 'General case' 0 C--O 1.253 1.274 0 N-CA-C 113.615 0.968 . . . . 27.59 113.615 -169.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' GLN . . . . . 1.121 ' OE1' ' O ' ' A' ' 16' ' ' HOH . 13.2 mm100 -109.93 -43.32 4.02 Favored 'General case' 0 C--O 1.255 1.363 0 N-CA-C 114.381 1.252 . . . . 36.969999999999999 114.381 173.391 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -81.24 -55.38 4.77 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 120.645 0.26 . . . . 39.200000000000003 110.648 -174.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.9 -39.99 64.55 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 112.562 0.578 . . . . 37.979999999999997 112.562 -172.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.09 -24.86 59.0 Favored 'Trans proline' 0 N--CA 1.482 0.811 0 N-CA-C 117.164 1.948 . . . . 38.75 117.164 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' ILE . . . . . . . . . . . . . 11.9 pt -95.52 -8.27 9.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 118.269 0.486 . . . . 42.670000000000002 111.509 176.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.677 0 N-CA-C 108.596 -0.89 . . . . 46.43 108.596 179.587 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 483' ' ' PHE . . . . . . . . . . . . . 44.9 t80 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 108.434 -0.95 . . . . 35.390000000000001 108.434 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 484' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -87.2 134.19 14.88 Favored 'Cis proline' 0 C--N 1.346 0.417 0 O-C-N 123.613 1.322 . . . . 32.710000000000001 113.016 -1.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 485' ' ' SER . . . . . . . . . . . . . 72.8 p -94.91 -13.71 25.16 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.288 0.477 . . . . 30.5 112.288 -175.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 486' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -168.95 -176.23 2.59 Favored 'General case' 0 C--O 1.245 0.862 0 O-C-N 121.91 -0.494 . . . . 23.629999999999999 110.885 -172.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 487' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -68.66 -24.82 64.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.561 0.578 . . . . 24.789999999999999 112.561 -175.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 488' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -70.24 -49.69 47.37 Favored 'General case' 0 C--O 1.261 1.662 0 N-CA-C 106.315 -1.735 . . . . 16.77 106.315 178.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 489' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -60.65 -38.38 84.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.739 0.78 . . . . 23.350000000000001 111.941 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 490' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.46 94.74 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.027 -1.671 . . . . 19.050000000000001 111.351 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 491' ' ' SER . . . . . . . . . . . . . 51.4 m -64.08 -39.43 94.04 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 121.412 -0.805 . . . . 20.829999999999998 112.057 174.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 492' ' ' ILE . . . . . . . . . . . . . 26.1 mm -60.15 -43.31 92.77 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 122.163 0.983 . . . . 19.140000000000001 109.594 175.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 493' ' ' SER . . . . . . . . . . . . . 19.5 t -60.81 -38.03 84.0 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.934 -1.104 . . . . 19.940000000000001 110.936 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 494' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -63.56 -41.0 98.43 Favored 'General case' 0 C--O 1.253 1.276 0 N-CA-C 109.133 -0.691 . . . . 37.030000000000001 109.133 178.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 495' ' ' VAL . . . . . . . . . . . . . 92.4 t -59.79 -46.6 93.46 Favored 'Isoleucine or valine' 0 C--O 1.258 1.522 0 N-CA-C 108.272 -1.01 . . . . 15.9 108.272 177.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 496' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.09 -39.35 85.8 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.532 -0.73 . . . . 24.48 110.293 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 497' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 -44.86 94.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 119.345 0.975 . . . . 30.079999999999998 110.712 178.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 498' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -65.72 -35.66 81.39 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 113.754 1.02 . . . . 32.439999999999998 113.754 176.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 499' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.95 -43.7 99.18 Favored 'Isoleucine or valine' 0 C--O 1.253 1.273 0 N-CA-C 109.084 -0.71 . . . . 16.5 109.084 173.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 500' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.77 -36.18 81.83 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.65 -0.656 . . . . 23.449999999999999 110.112 -178.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 501' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -63.06 -43.78 97.66 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 121.213 -0.929 . . . . 26.920000000000002 110.905 175.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 502' ' ' SER . . . . . . . . . . . . . 39.2 t -55.65 -52.34 64.17 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 122.15 -0.344 . . . . 18.59 111.289 175.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 503' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.9 -36.3 78.9 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 123.976 0.798 . . . . 19.77 111.014 -179.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 504' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.76 86.84 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-O 122.015 0.912 . . . . 15.17 112.661 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 505' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.24 -37.09 85.87 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 120.642 -1.286 . . . . 23.170000000000002 112.504 175.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 506' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.45 -42.1 94.27 Favored 'Isoleucine or valine' 0 C--O 1.265 1.895 0 CA-C-N 119.152 0.887 . . . . 14.82 109.952 172.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 507' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -56.39 -48.17 77.45 Favored 'General case' 0 C--O 1.257 1.459 0 N-CA-C 108.835 -0.802 . . . . 22.420000000000002 108.835 179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 508' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -61.14 -44.05 97.93 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 118.223 0.465 . . . . 30.579999999999998 111.115 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 509' ' ' SER . . . . . . . . . . . . . 44.0 t -59.8 -48.88 79.9 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 120.639 -1.288 . . . . 17.300000000000001 111.234 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 510' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -55.63 -44.22 76.92 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 123.561 0.744 . . . . 23.489999999999998 111.142 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 511' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.23 -43.84 93.72 Favored 'General case' 0 C--O 1.271 2.218 0 CA-C-O 118.814 -0.613 . . . . 21.859999999999999 110.694 -178.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 512' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.28 -41.22 83.88 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.483 0.713 . . . . 26.989999999999998 111.981 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 513' ' ' LEU . . . . . . . . . . . . . 85.6 mt -72.57 -32.97 66.44 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.093 0.775 . . . . 28.359999999999999 113.093 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 514' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -74.82 -10.42 59.49 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.009 -0.737 . . . . 40.899999999999999 109.009 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 515' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -92.68 2.27 56.82 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.503 1.297 . . . . 46.149999999999999 114.503 169.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 516' ' ' VAL . . . . . . . . . . . . . 43.3 t -94.74 137.45 23.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 121.265 0.555 . . . . 42.159999999999997 110.415 178.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 517' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.58 0 CA-C-N 115.063 -0.971 . . . . 44.530000000000001 109.629 171.153 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' TM3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . 1.121 ' O ' ' OE1' ' A' ' 202' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 111.097 0.036 . . . . 54.14 111.097 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.2 tp -61.66 -38.35 87.42 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.619 1.34 . . . . 54.76 114.619 -173.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -62.27 -31.23 71.78 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.551 -0.459 . . . . 55.01 109.859 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -60.25 -45.41 96.14 Favored Glycine 0 C--O 1.238 0.372 0 N-CA-C 109.823 -1.311 . . . . 47.03 109.823 174.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.5 -49.4 75.52 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.015 0.436 . . . . 50.5 110.988 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' VAL . . . . . . . . . . . . . 50.6 t -55.05 -39.24 49.19 Favored 'Isoleucine or valine' 0 C--O 1.244 0.81 0 CA-C-N 116.055 -0.52 . . . . 39.48 109.91 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.06 -37.14 83.51 Favored 'General case' 0 C--O 1.244 0.775 0 N-CA-C 113.694 0.998 . . . . 44.79 113.694 179.266 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.203 -1.036 . . . . 39.82 108.203 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.63 -40.28 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 121.199 -0.2 . . . . 26.81 111.372 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -60.53 -47.79 84.63 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.554 -0.906 . . . . 32.7 108.554 176.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.8 m -61.02 -42.32 98.24 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.536 -0.727 . . . . 27.76 111.578 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.22 87.18 Favored 'General case' 0 C--O 1.248 0.985 0 N-CA-C 109.787 -0.449 . . . . 18.05 109.787 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 17.5 tp -66.83 -36.87 83.34 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 110.224 -0.287 . . . . 18.28 110.224 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.63 -39.19 79.79 Favored 'General case' 0 C--O 1.254 1.298 0 O-C-N 119.659 -1.901 . . . . 23.71 111.013 173.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 8.0 t -68.45 -45.57 72.15 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.479 0.581 . . . . 17.69 110.171 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 95.2 m -55.52 -40.31 71.66 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 121.651 -0.656 . . . . 14.85 110.639 174.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -64.81 -42.13 95.24 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 118.007 0.367 . . . . 15.57 110.99 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -60.87 -36.71 79.88 Favored 'General case' 0 C--O 1.259 1.564 0 O-C-N 120.667 -1.271 . . . . 32.35 111.275 173.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -58.87 -43.74 90.91 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.873 0.844 . . . . 14.15 112.275 173.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 79.6 t -70.8 -38.73 73.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 C-N-CA 119.829 -0.748 . . . . 14.05 109.378 -176.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.04 -46.98 93.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 120.45 -1.406 . . . . 16.76 111.42 174.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 49.0 m -57.14 -49.21 76.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 O-C-N 121.064 -1.022 . . . . 16.47 111.335 179.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.68 -41.41 98.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 118.871 -0.585 . . . . 14.89 110.064 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 67.4 m -59.72 -42.08 92.31 Favored 'General case' 0 C--O 1.252 1.216 0 N-CA-C 109.957 -0.386 . . . . 16.8 109.957 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -65.34 -39.94 93.03 Favored 'General case' 0 C--O 1.249 1.06 0 C-N-CA 119.726 -0.79 . . . . 31.7 111.81 178.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -61.46 -44.83 97.51 Favored Glycine 0 CA--C 1.538 1.478 0 O-C-N 120.139 -1.601 . . . . 14.48 112.854 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.69 -36.42 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.159 -1.2 . . . . 13.88 110.671 175.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 35.6 t -58.37 -49.59 76.68 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.523 1.056 . . . . 16.01 110.527 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.35 -45.64 97.61 Favored 'Isoleucine or valine' 0 C--O 1.246 0.889 0 O-C-N 120.104 -1.623 . . . . 16.79 109.716 177.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.36 -43.85 92.77 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.128 -0.982 . . . . 15.0 110.429 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 189' ' ' THR . . . . . . . . . . . . . 76.3 m -56.86 -45.05 82.73 Favored 'General case' 0 C--O 1.26 1.636 0 CA-C-O 121.779 0.799 . . . . 13.6 109.854 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 83.8 p -58.77 -41.94 87.79 Favored 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 121.621 -0.675 . . . . 18.35 110.71 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 191' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -69.3 -35.23 75.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 118.6 0.636 . . . . 27.65 111.317 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.98 -43.42 92.68 Favored 'Isoleucine or valine' 0 C--O 1.266 1.928 0 CA-C-N 119.321 0.964 . . . . 15.22 109.399 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.73 -39.75 92.67 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.814 -0.754 . . . . 17.8 111.045 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.87 -42.91 98.85 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 121.379 -0.825 . . . . 21.57 110.97 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.73 -42.59 95.09 Favored 'General case' 0 C--O 1.253 1.249 0 O-C-N 120.535 -1.353 . . . . 17.59 109.752 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -60.52 -46.39 90.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.058 -1.026 . . . . 17.93 110.197 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 197' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -64.96 -39.64 93.79 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.851 -0.531 . . . . 24.4 111.846 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 198' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -59.22 -47.58 84.8 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 120.335 -1.478 . . . . 22.35 110.986 175.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 36.7 mt -58.48 -49.97 80.44 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 C-N-CA 120.144 -0.622 . . . . 24.06 111.135 177.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -71.36 -32.08 68.09 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 113.879 1.066 . . . . 22.15 113.879 -175.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -109.89 -16.85 13.77 Favored 'General case' 0 C--O 1.253 1.274 0 N-CA-C 113.615 0.968 . . . . 27.59 113.615 -169.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' GLN . . . . . 1.264 ' NE2' ' O ' ' A' ' 16' ' ' HOH . 21.5 mm-40 -109.93 -43.32 4.02 Favored 'General case' 0 C--O 1.255 1.363 0 N-CA-C 114.381 1.252 . . . . 36.97 114.381 173.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -81.24 -55.38 4.77 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 120.645 0.26 . . . . 39.2 110.648 -174.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.9 -39.99 64.55 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 112.562 0.578 . . . . 37.98 112.562 -172.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.09 -24.86 59.0 Favored 'Trans proline' 0 N--CA 1.482 0.811 0 N-CA-C 117.164 1.948 . . . . 38.75 117.164 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' ILE . . . . . . . . . . . . . 11.9 pt -95.52 -8.27 9.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 118.269 0.486 . . . . 42.67 111.509 176.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.677 0 N-CA-C 108.596 -0.89 . . . . 46.43 108.596 179.587 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 483' ' ' PHE . . . . . . . . . . . . . 44.9 t80 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 108.434 -0.95 . . . . 35.39 108.434 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 484' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -87.2 134.19 14.88 Favored 'Cis proline' 0 C--N 1.346 0.417 0 O-C-N 123.613 1.322 . . . . 32.71 113.016 -1.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 485' ' ' SER . . . . . . . . . . . . . 72.8 p -94.91 -13.71 25.16 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.288 0.477 . . . . 30.5 112.288 -175.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 486' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -168.95 -176.23 2.59 Favored 'General case' 0 C--O 1.245 0.862 0 O-C-N 121.91 -0.494 . . . . 23.63 110.885 -172.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 487' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -68.66 -24.82 64.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.561 0.578 . . . . 24.79 112.561 -175.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 488' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -70.24 -49.69 47.37 Favored 'General case' 0 C--O 1.261 1.662 0 N-CA-C 106.315 -1.735 . . . . 16.77 106.315 178.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 489' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -60.65 -38.38 84.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.739 0.78 . . . . 23.35 111.941 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 490' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.46 94.74 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.027 -1.671 . . . . 19.05 111.351 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 491' ' ' SER . . . . . . . . . . . . . 51.4 m -64.08 -39.43 94.04 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 121.412 -0.805 . . . . 20.83 112.057 174.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 492' ' ' ILE . . . . . . . . . . . . . 26.1 mm -60.15 -43.31 92.77 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 122.163 0.983 . . . . 19.14 109.594 175.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 493' ' ' SER . . . . . . . . . . . . . 19.5 t -60.81 -38.03 84.0 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.934 -1.104 . . . . 22.21 110.936 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 494' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -63.56 -41.0 98.43 Favored 'General case' 0 C--O 1.253 1.276 0 N-CA-C 109.133 -0.691 . . . . 37.03 109.133 178.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 495' ' ' VAL . . . . . . . . . . . . . 92.4 t -59.79 -46.6 93.46 Favored 'Isoleucine or valine' 0 C--O 1.258 1.522 0 N-CA-C 108.272 -1.01 . . . . 15.9 108.272 177.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 496' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.09 -39.35 85.8 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.532 -0.73 . . . . 24.48 110.293 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 497' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 -44.86 94.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 119.345 0.975 . . . . 30.08 110.712 178.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 498' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -65.72 -35.66 81.39 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 113.754 1.02 . . . . 32.44 113.754 176.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 499' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.95 -43.7 99.18 Favored 'Isoleucine or valine' 0 C--O 1.253 1.273 0 N-CA-C 109.084 -0.71 . . . . 16.5 109.084 173.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 500' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.77 -36.18 81.83 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.65 -0.656 . . . . 23.45 110.112 -178.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 501' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -63.06 -43.78 97.66 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 121.213 -0.929 . . . . 26.92 110.905 175.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 502' ' ' SER . . . . . . . . . . . . . 39.2 t -55.65 -52.34 64.17 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 122.15 -0.344 . . . . 18.59 111.289 175.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 503' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.9 -36.3 78.9 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 123.976 0.798 . . . . 19.77 111.014 -179.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 504' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.76 86.84 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-O 122.015 0.912 . . . . 15.17 112.661 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 505' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.24 -37.09 85.87 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 120.642 -1.286 . . . . 23.17 112.504 175.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 506' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.45 -42.1 94.27 Favored 'Isoleucine or valine' 0 C--O 1.265 1.895 0 CA-C-N 119.152 0.887 . . . . 14.82 109.952 172.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 507' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -56.39 -48.17 77.45 Favored 'General case' 0 C--O 1.257 1.459 0 N-CA-C 108.835 -0.802 . . . . 22.42 108.835 179.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 508' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -61.14 -44.05 97.93 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 118.223 0.465 . . . . 30.58 111.115 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 509' ' ' SER . . . . . . . . . . . . . 44.0 t -59.8 -48.88 79.9 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 120.639 -1.288 . . . . 17.3 111.234 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 510' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -55.63 -44.22 76.92 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 123.561 0.744 . . . . 23.49 111.142 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 511' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.23 -43.84 93.72 Favored 'General case' 0 C--O 1.271 2.218 0 CA-C-O 118.814 -0.613 . . . . 21.86 110.694 -178.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 512' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.28 -41.22 83.88 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.483 0.713 . . . . 26.99 111.981 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 513' ' ' LEU . . . . . . . . . . . . . 85.6 mt -72.57 -32.97 66.44 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.093 0.775 . . . . 28.36 113.093 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 514' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -74.82 -10.42 59.49 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.009 -0.737 . . . . 40.9 109.009 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 515' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -92.68 2.27 56.82 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.503 1.297 . . . . 46.15 114.503 169.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 516' ' ' VAL . . . . . . . . . . . . . 43.3 t -94.74 137.45 23.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 121.265 0.555 . . . . 42.16 110.415 178.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 517' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.58 0 CA-C-N 115.063 -0.971 . . . . 44.53 109.629 171.153 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' TM3 . . . . . 0.403 ' H4 ' ' H12' ' A' ' 210' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' PG4 . . . . . 0.403 ' H12' ' H4 ' ' A' ' 1' ' ' TM3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . 1.264 ' O ' ' NE2' ' A' ' 202' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 111.097 0.036 . . . . 54.14 111.097 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.2 tp -61.66 -38.35 87.42 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.619 1.34 . . . . 54.76 114.619 -173.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -62.27 -31.23 71.78 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.551 -0.459 . . . . 55.01 109.859 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -60.25 -45.41 96.14 Favored Glycine 0 C--O 1.238 0.372 0 N-CA-C 109.823 -1.311 . . . . 47.03 109.823 174.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.5 -49.4 75.52 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.015 0.436 . . . . 50.5 110.988 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' VAL . . . . . . . . . . . . . 50.6 t -55.05 -39.24 49.19 Favored 'Isoleucine or valine' 0 C--O 1.244 0.81 0 CA-C-N 116.055 -0.52 . . . . 39.48 109.91 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.06 -37.14 83.51 Favored 'General case' 0 C--O 1.244 0.775 0 N-CA-C 113.694 0.998 . . . . 44.79 113.694 179.266 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.203 -1.036 . . . . 39.82 108.203 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.63 -40.28 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 121.199 -0.2 . . . . 26.81 111.372 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -60.53 -47.79 84.63 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.554 -0.906 . . . . 32.7 108.554 176.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.8 m -61.02 -42.32 98.24 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.536 -0.727 . . . . 27.76 111.578 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.22 87.18 Favored 'General case' 0 C--O 1.248 0.985 0 N-CA-C 109.787 -0.449 . . . . 18.05 109.787 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 17.5 tp -66.83 -36.87 83.34 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 110.224 -0.287 . . . . 18.28 110.224 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.63 -39.19 79.79 Favored 'General case' 0 C--O 1.254 1.298 0 O-C-N 119.659 -1.901 . . . . 23.71 111.013 173.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 8.0 t -68.45 -45.57 72.15 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.479 0.581 . . . . 17.69 110.171 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 95.2 m -55.52 -40.31 71.66 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 121.651 -0.656 . . . . 14.85 110.639 174.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -64.81 -42.13 95.24 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 118.007 0.367 . . . . 15.57 110.99 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -60.87 -36.71 79.88 Favored 'General case' 0 C--O 1.259 1.564 0 O-C-N 120.667 -1.271 . . . . 32.35 111.275 173.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -58.87 -43.74 90.91 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.873 0.844 . . . . 14.15 112.275 173.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 79.6 t -70.8 -38.73 73.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 C-N-CA 119.829 -0.748 . . . . 14.05 109.378 -176.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.04 -46.98 93.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 O-C-N 120.45 -1.406 . . . . 16.76 111.42 174.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 49.0 m -57.14 -49.21 76.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 O-C-N 121.064 -1.022 . . . . 16.47 111.335 179.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.68 -41.41 98.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 118.871 -0.585 . . . . 14.89 110.064 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 67.4 m -59.72 -42.08 92.31 Favored 'General case' 0 C--O 1.252 1.216 0 N-CA-C 109.957 -0.386 . . . . 16.8 109.957 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -65.34 -39.94 93.03 Favored 'General case' 0 C--O 1.249 1.06 0 C-N-CA 119.726 -0.79 . . . . 31.7 111.81 178.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -61.46 -44.83 97.51 Favored Glycine 0 CA--C 1.538 1.478 0 O-C-N 120.139 -1.601 . . . . 14.48 112.854 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.69 -36.42 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.159 -1.2 . . . . 13.88 110.671 175.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 35.6 t -58.37 -49.59 76.68 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.523 1.056 . . . . 16.01 110.527 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.35 -45.64 97.61 Favored 'Isoleucine or valine' 0 C--O 1.246 0.889 0 O-C-N 120.104 -1.623 . . . . 16.79 109.716 177.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.36 -43.85 92.77 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.128 -0.982 . . . . 15.0 110.429 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' THR . . . . . . . . . . . . . 76.3 m -56.86 -45.05 82.73 Favored 'General case' 0 C--O 1.26 1.636 0 CA-C-O 121.779 0.799 . . . . 13.6 109.854 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 83.8 p -58.77 -41.94 87.79 Favored 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 121.621 -0.675 . . . . 18.35 110.71 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -69.3 -35.23 75.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 118.6 0.636 . . . . 27.65 111.317 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.98 -43.42 92.68 Favored 'Isoleucine or valine' 0 C--O 1.266 1.928 0 CA-C-N 119.321 0.964 . . . . 15.22 109.399 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.73 -39.75 92.67 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.814 -0.754 . . . . 17.8 111.045 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.87 -42.91 98.85 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 121.379 -0.825 . . . . 21.57 110.97 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.73 -42.59 95.09 Favored 'General case' 0 C--O 1.253 1.249 0 O-C-N 120.535 -1.353 . . . . 17.59 109.752 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -60.52 -46.39 90.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.058 -1.026 . . . . 17.93 110.197 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -64.96 -39.64 93.79 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.851 -0.531 . . . . 24.4 111.846 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -59.22 -47.58 84.8 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 120.335 -1.478 . . . . 22.35 110.986 175.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 36.7 mt -58.48 -49.97 80.44 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 C-N-CA 120.144 -0.622 . . . . 24.06 111.135 177.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -71.36 -32.08 68.09 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 113.879 1.066 . . . . 22.15 113.879 -175.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -109.89 -16.85 13.77 Favored 'General case' 0 C--O 1.253 1.274 0 N-CA-C 113.615 0.968 . . . . 27.59 113.615 -169.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' GLN . . . . . 1.121 ' OE1' ' O ' ' A' ' 16' ' ' HOH . 13.2 mm100 -109.93 -43.32 4.02 Favored 'General case' 0 C--O 1.255 1.363 0 N-CA-C 114.381 1.252 . . . . 36.97 114.381 173.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -81.24 -55.38 4.77 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 120.645 0.26 . . . . 39.2 110.648 -174.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.9 -39.99 64.55 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 112.562 0.578 . . . . 37.98 112.562 -172.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.09 -24.86 59.0 Favored 'Trans proline' 0 N--CA 1.482 0.811 0 N-CA-C 117.164 1.948 . . . . 38.75 117.164 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' ILE . . . . . . . . . . . . . 11.9 pt -95.52 -8.27 9.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 118.269 0.486 . . . . 42.67 111.509 176.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.677 0 N-CA-C 108.596 -0.89 . . . . 46.43 108.596 179.587 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 483' ' ' PHE . . . . . . . . . . . . . 44.9 t80 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 108.434 -0.95 . . . . 35.39 108.434 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 484' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -87.2 134.19 14.88 Favored 'Cis proline' 0 C--N 1.346 0.417 0 O-C-N 123.613 1.322 . . . . 32.71 113.016 -1.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 485' ' ' SER . . . . . . . . . . . . . 72.8 p -94.91 -13.71 25.16 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.288 0.477 . . . . 30.5 112.288 -175.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 486' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -168.95 -176.23 2.59 Favored 'General case' 0 C--O 1.245 0.862 0 O-C-N 121.91 -0.494 . . . . 23.63 110.885 -172.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 487' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -68.66 -24.82 64.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.561 0.578 . . . . 24.79 112.561 -175.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 488' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -70.24 -49.69 47.37 Favored 'General case' 0 C--O 1.261 1.662 0 N-CA-C 106.315 -1.735 . . . . 16.77 106.315 178.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 489' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -60.65 -38.38 84.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.739 0.78 . . . . 23.35 111.941 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 490' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.46 94.74 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.027 -1.671 . . . . 19.05 111.351 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 491' ' ' SER . . . . . . . . . . . . . 51.4 m -64.08 -39.43 94.04 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 121.412 -0.805 . . . . 20.83 112.057 174.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 492' ' ' ILE . . . . . . . . . . . . . 26.1 mm -60.15 -43.31 92.77 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 122.163 0.983 . . . . 19.14 109.594 175.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 493' ' ' SER . . . . . . . . . . . . . 19.5 t -60.81 -38.03 84.0 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.934 -1.104 . . . . 22.21 110.936 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 494' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -63.56 -41.0 98.43 Favored 'General case' 0 C--O 1.253 1.276 0 N-CA-C 109.133 -0.691 . . . . 37.03 109.133 178.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 495' ' ' VAL . . . . . . . . . . . . . 92.4 t -59.79 -46.6 93.46 Favored 'Isoleucine or valine' 0 C--O 1.258 1.522 0 N-CA-C 108.272 -1.01 . . . . 15.9 108.272 177.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 496' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.09 -39.35 85.8 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.532 -0.73 . . . . 24.48 110.293 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 497' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 -44.86 94.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 119.345 0.975 . . . . 30.08 110.712 178.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 498' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -65.72 -35.66 81.39 Favored 'General case' 0 C--O 1.259 1.596 0 N-CA-C 113.754 1.02 . . . . 32.44 113.754 176.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 499' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.95 -43.7 99.18 Favored 'Isoleucine or valine' 0 C--O 1.253 1.273 0 N-CA-C 109.084 -0.71 . . . . 16.5 109.084 173.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 500' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.77 -36.18 81.83 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.65 -0.656 . . . . 23.45 110.112 -178.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 501' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -63.06 -43.78 97.66 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 121.213 -0.929 . . . . 26.92 110.905 175.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 502' ' ' SER . . . . . . . . . . . . . 39.2 t -55.65 -52.34 64.17 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 122.15 -0.344 . . . . 18.59 111.289 175.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 503' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.9 -36.3 78.9 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 123.976 0.798 . . . . 19.77 111.014 -179.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 504' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.76 86.84 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-O 122.015 0.912 . . . . 15.17 112.661 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 505' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.24 -37.09 85.87 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 120.642 -1.286 . . . . 23.17 112.504 175.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 506' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.45 -42.1 94.27 Favored 'Isoleucine or valine' 0 C--O 1.265 1.895 0 CA-C-N 119.152 0.887 . . . . 14.82 109.952 172.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 507' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -56.39 -48.17 77.45 Favored 'General case' 0 C--O 1.257 1.459 0 N-CA-C 108.835 -0.802 . . . . 22.42 108.835 179.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 508' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -61.14 -44.05 97.93 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 118.223 0.465 . . . . 30.58 111.115 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 509' ' ' SER . . . . . . . . . . . . . 44.0 t -59.8 -48.88 79.9 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 120.639 -1.288 . . . . 17.3 111.234 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 510' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -55.63 -44.22 76.92 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 123.561 0.744 . . . . 23.49 111.142 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 511' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.23 -43.84 93.72 Favored 'General case' 0 C--O 1.271 2.218 0 CA-C-O 118.814 -0.613 . . . . 21.86 110.694 -178.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 512' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.28 -41.22 83.88 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.483 0.713 . . . . 26.99 111.981 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 513' ' ' LEU . . . . . . . . . . . . . 85.6 mt -72.57 -32.97 66.44 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.093 0.775 . . . . 28.36 113.093 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 514' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -74.82 -10.42 59.49 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.009 -0.737 . . . . 40.9 109.009 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 515' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -92.68 2.27 56.82 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.503 1.297 . . . . 46.15 114.503 169.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 516' ' ' VAL . . . . . . . . . . . . . 43.3 t -94.74 137.45 23.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 121.265 0.555 . . . . 42.16 110.415 178.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 517' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.58 0 CA-C-N 115.063 -0.971 . . . . 44.53 109.629 171.153 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' TM3 . . . . . 0.403 ' H4 ' ' H12' ' A' ' 210' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' PG4 . . . . . 0.403 ' H12' ' H4 ' ' A' ' 1' ' ' TM3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . 1.121 ' O ' ' OE1' ' A' ' 202' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_