data_1poh_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 1poh _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' CG ' ' N ' ' A' ' 2' ' ' PHE . 3.8 ttm . . . . . 0 C--O 1.245 0.832 0 CA-C-O 123.146 1.45 . . . . 48.3 107.115 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PHE . . . . . 0.487 ' N ' ' CG ' ' A' ' 1' ' ' MET 0.291 71.9 t80 -140.02 143.34 36.36 Favored 'General case' 0 C--O 1.276 2.479 0 N-CA-C 106.219 -1.771 . . . . 36.27 106.219 178.924 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -153.84 157.56 39.51 Favored 'General case' 0 C--O 1.271 2.193 0 O-C-N 120.051 -1.655 . . . . 52.23 108.042 178.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -151.87 147.4 26.56 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 116.025 -1.94 . . . . 33.08 107.166 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.55 151.47 19.29 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 125.257 1.598 . . . . 66.79 108.539 176.972 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.13 146.41 17.9 Favored 'Isoleucine or valine' 0 C--O 1.256 1.404 0 N-CA-C 105.518 -2.031 . . . . 17.51 105.518 176.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.3 m -97.22 136.35 37.85 Favored 'General case' 0 C--O 1.266 1.957 0 CA-C-O 121.689 0.757 . . . . 17.7 110.486 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . 0.905 ' CD1' ' O ' ' A' ' 174' ' ' HOH . 60.7 mt -87.79 114.69 26.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 101.66 -3.459 . . . . 25.58 101.66 -179.782 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.0 p -106.04 -4.85 19.99 Favored 'General case' 0 C--O 1.268 2.073 0 CA-C-O 113.799 -3.0 . . . . 22.24 115.676 179.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.6 140.28 86.87 Favored Pre-proline 0 C--N 1.292 -1.906 0 CA-C-N 122.334 2.334 . . . . 17.28 110.547 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -45.55 -46.75 14.27 Favored 'Trans proline' 0 C--O 1.296 3.406 1 C-N-CA 126.182 4.588 . . . . 28.7 117.209 177.024 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASN . . . . . 1.042 ' N ' ' O ' ' A' ' 173' ' ' HOH . 11.2 m120 -103.19 27.73 6.96 Favored 'General case' 0 N--CA 1.538 3.94 0 O-C-N 117.467 -3.271 . . . . 32.95 106.134 179.594 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.57 -151.51 40.08 Favored Glycine 0 C--O 1.285 3.287 0 CA-C-O 127.406 3.781 . . . . 21.48 109.647 -178.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 tp -82.57 72.22 9.64 Favored 'General case' 0 C--O 1.265 1.911 0 CA-C-O 112.957 -3.401 . . . . 28.39 108.761 -175.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -68.75 -179.93 1.57 Allowed 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 121.846 2.112 . . . . 31.49 112.435 -178.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 m -43.24 -64.28 0.67 Allowed 'General case' 0 C--O 1.292 3.331 0 N-CA-C 120.797 3.628 . . . . 30.6 120.797 -175.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 ttt85 -61.31 -46.69 95.22 Favored Pre-proline 0 N--CA 1.492 1.638 0 CA-C-N 121.203 1.82 . . . . 27.18 112.116 -176.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.24 -32.01 52.38 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 O-C-N 116.173 -2.593 . . . . 15.55 111.167 -177.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.66 -37.65 85.23 Favored 'General case' 0 N--CA 1.52 3.037 0 CA-C-O 125.635 2.636 . . . . 16.46 108.252 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.73 -39.26 73.47 Favored 'General case' 0 N--CA 1.492 1.635 1 O-C-N 115.672 -4.392 . . . . 19.55 109.78 179.521 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -66.34 -39.64 89.35 Favored 'General case' 0 CA--C 1.588 2.434 0 C-N-CA 116.686 -2.006 . . . . 66.62 107.06 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.36 -47.21 86.29 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-O 128.37 3.938 . . . . 19.3 109.451 -176.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.25 -43.2 92.88 Favored 'Isoleucine or valine' 0 C--O 1.276 2.488 0 O-C-N 118.515 -2.616 . . . . 17.27 112.005 -179.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -64.85 -39.07 92.97 Favored 'General case' 0 C--O 1.262 1.747 0 O-C-N 126.39 2.306 . . . . 64.21 111.794 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -70.03 -39.13 75.97 Favored 'General case' 0 CA--C 1.568 1.654 0 O-C-N 124.109 0.88 . . . . 71.58 109.341 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.44 -43.62 88.85 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-O 123.432 1.587 . . . . 13.62 110.341 177.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -62.29 -14.55 40.22 Favored 'General case' 0 C--O 1.269 2.112 0 O-C-N 118.873 -2.392 . . . . 31.8 113.388 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.41 -10.61 85.76 Favored Glycine 0 C--O 1.264 1.996 0 CA-C-O 116.033 -2.537 . . . . 14.28 110.133 -179.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -103.79 145.41 30.13 Favored 'General case' 0 C--N 1.402 2.866 0 O-C-N 127.843 2.731 . . . . 19.05 111.043 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.3 p -76.57 -29.41 56.6 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-O 113.086 -3.34 . . . . 22.5 112.848 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -56.71 158.81 4.33 Favored 'General case' 0 CA--C 1.574 1.891 0 O-C-N 126.342 2.276 . . . . 15.74 115.328 178.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.77 128.9 34.17 Favored 'General case' 0 C--O 1.269 2.11 1 N-CA-C 100.028 -4.064 . . . . 57.24 100.028 172.762 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.5 mt -127.66 135.15 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 O-C-N 119.569 -1.957 . . . . 14.63 107.437 -177.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.7 m -124.69 144.47 50.19 Favored 'General case' 0 C--O 1.262 1.739 0 O-C-N 128.687 3.742 . . . . 15.77 106.889 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.36 127.63 64.55 Favored 'Isoleucine or valine' 0 C--O 1.284 2.887 0 C-N-CA 128.463 2.705 . . . . 19.38 105.261 172.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 m -125.85 119.29 27.45 Favored 'General case' 0 C--O 1.277 2.523 0 O-C-N 119.642 -1.911 . . . . 13.99 111.928 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.6 t -126.89 124.02 38.58 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 127.804 3.19 . . . . 17.89 107.0 178.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 51.11 39.62 23.83 Favored 'General case' 0 N--CA 1.515 2.78 0 O-C-N 120.824 -1.172 . . . . 18.87 112.397 -178.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.33 12.78 82.73 Favored Glycine 0 C--O 1.27 2.384 0 O-C-N 118.855 -2.403 . . . . 25.69 114.792 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . 0.576 ' CE ' ' O ' ' A' ' 180' ' ' HOH . 21.5 mttp -122.98 138.29 54.72 Favored 'General case' 0 N--CA 1.502 2.13 1 N-CA-C 100.029 -4.063 . . . . 48.5 100.029 178.65 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . 0.276 68.9 m -122.84 155.98 35.51 Favored 'General case' 0 N--CA 1.43 -1.464 1 CA-C-O 129.12 4.295 . . . . 15.29 114.851 -177.853 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.69 153.3 36.74 Favored 'General case' 0 C--O 1.253 1.28 0 CA-C-N 108.865 -3.789 . . . . 13.95 109.41 176.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.9 t -70.56 133.85 47.12 Favored 'General case' 0 C--O 1.274 2.343 0 N-CA-C 105.175 -2.158 . . . . 14.87 105.175 170.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.98 -7.57 51.75 Favored 'General case' 0 C--O 1.256 1.439 0 C-N-CA 116.938 -1.905 . . . . 17.63 111.59 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -96.7 12.1 33.09 Favored 'General case' 0 C--O 1.27 2.141 0 O-C-N 121.58 -0.7 . . . . 21.85 109.491 -176.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.14 106.88 6.97 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-O 124.502 2.096 . . . . 32.64 110.064 -179.402 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . 0.724 ' CD1' ' OE1' ' A' ' 51' ' ' GLN . 1.7 tm? -57.4 -38.3 74.07 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 112.617 -2.083 . . . . 38.78 109.528 178.504 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.36 -50.94 71.63 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-N 119.745 1.157 . . . . 26.58 112.701 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -69.16 -32.33 71.6 Favored 'General case' 0 C--O 1.265 1.891 0 O-C-N 117.339 -3.351 . . . . 68.22 111.949 -179.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.96 -34.08 75.46 Favored 'General case' 0 N--CA 1.512 2.656 0 C-N-CA 116.658 -2.017 . . . . 36.55 110.005 -177.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLN . . . . . 0.724 ' OE1' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -67.38 -10.61 52.83 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 115.359 -2.258 . . . . 106.75 110.953 -176.423 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.3 p -88.99 -8.41 54.13 Favored 'General case' 0 C--N 1.365 1.245 0 O-C-N 128.617 3.698 . . . . 18.93 111.601 -177.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.8 157.54 16.83 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 125.146 1.528 . . . . 20.47 110.362 -178.689 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.6 105.15 3.06 Favored Glycine 0 N--CA 1.512 3.753 0 N-CA-C 104.748 -3.341 . . . . 28.24 104.748 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 138' ' ' HOH . 90.3 mt -119.74 47.22 1.76 Allowed 'General case' 0 C--O 1.276 2.484 0 CA-C-O 113.644 -3.074 . . . . 20.98 105.227 -177.672 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.5 p -81.99 173.12 12.49 Favored 'General case' 0 C--O 1.271 2.212 0 O-C-N 128.919 3.887 . . . . 23.47 108.384 179.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -59.23 140.05 56.35 Favored 'General case' 0 C--O 1.274 2.389 0 O-C-N 120.12 -1.612 . . . . 24.4 111.08 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' ILE . . . 91.2 -3.6 80.14 Favored Glycine 0 C--O 1.286 3.4 0 CA-C-O 124.984 2.435 . . . . 14.72 115.52 178.284 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.8 m -83.09 135.84 34.69 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-O 115.893 -2.003 . . . . 15.68 111.601 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.9 t -95.63 123.42 47.81 Favored 'Isoleucine or valine' 1 C--O 1.327 5.167 0 CA-C-N 121.609 2.004 . . . . 14.83 107.033 175.337 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . 0.948 ' CG1' ' O ' ' A' ' 174' ' ' HOH . 17.3 m -113.52 163.12 11.1 Favored 'Isoleucine or valine' 0 C--O 1.28 2.668 0 O-C-N 118.743 -2.473 . . . . 29.22 109.178 176.592 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.7 m -110.98 132.4 54.24 Favored 'General case' 0 C--O 1.265 1.92 1 O-C-N 129.884 4.49 . . . . 15.9 105.983 175.896 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.2 mt -111.31 121.3 63.67 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 N-CA-C 100.899 -3.741 . . . . 20.98 100.899 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.88 145.18 51.03 Favored 'General case' 0 C--O 1.294 3.408 0 CA-C-O 124.108 1.908 . . . . 20.18 108.283 178.388 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -140.84 155.06 46.43 Favored 'General case' 0 N--CA 1.504 2.254 0 C-N-CA 114.106 -3.037 . . . . 12.29 104.918 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.2 113.88 7.16 Favored 'General case' 0 N--CA 1.492 1.673 1 O-C-N 131.634 5.583 . . . . 57.47 106.034 176.968 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.84 -172.64 41.33 Favored Glycine 0 N--CA 1.487 2.05 0 C-N-CA 114.417 -3.754 . . . . 20.08 105.561 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -56.91 -41.03 77.41 Favored 'General case' 0 C--O 1.267 1.983 0 CA-C-O 112.138 -3.791 . . . . 63.2 113.019 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.93 35.28 4.38 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 115.781 -2.368 . . . . 20.73 107.955 -178.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -54.97 -32.34 61.52 Favored 'General case' 0 C--O 1.255 1.392 1 N-CA-C 122.509 4.263 . . . . 28.49 122.509 -175.218 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . 0.629 ' CB ' ' O ' ' A' ' 185' ' ' HOH . 0.0 OUTLIER -74.85 -44.93 46.48 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 117.719 -3.113 . . . . 78.93 110.309 -177.051 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . 0.561 ' NZ ' ' CE1' ' A' ' 76' ' ' HIS . 13.3 ttpp -63.72 -42.89 97.85 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 105.632 -1.988 . . . . 54.82 105.632 179.978 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.2 78.49 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 118.136 -1.425 . . . . 15.73 109.809 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.38 -43.75 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 O-C-N 119.098 -2.251 . . . . 14.95 108.814 -176.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -55.26 -48.66 73.67 Favored 'General case' 0 C--N 1.37 1.479 0 O-C-N 128.037 3.336 . . . . 48.88 109.939 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HIS . . . . . 0.561 ' CE1' ' NZ ' ' A' ' 72' ' ' LYS . 12.9 m-70 -67.22 -40.78 86.45 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 117.293 -1.337 . . . . 57.41 113.864 -179.665 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.58 -28.25 60.84 Favored 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 118.678 -1.209 . . . . 13.74 113.219 -173.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.51 -40.53 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 O-C-N 127.854 3.222 . . . . 17.5 107.242 -178.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -68.03 -48.04 66.77 Favored 'General case' 0 C--N 1.38 1.917 0 O-C-N 128.371 3.545 . . . . 40.24 107.084 -178.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.0 tp -54.81 -46.9 74.58 Favored 'General case' 0 C--O 1.258 1.523 0 CA-C-O 128.434 3.969 . . . . 19.68 113.471 176.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.3 ttm -59.65 -38.13 80.59 Favored 'General case' 0 C--O 1.269 2.113 1 O-C-N 115.685 -4.384 . . . . 45.4 114.286 -178.972 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.44 -32.04 60.54 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 117.211 -3.431 . . . . 22.04 107.331 -177.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . 0.612 ' O ' ' O ' ' A' ' 188' ' ' HOH 0.366 25.0 mt-10 -79.13 -32.79 44.54 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 124.415 1.072 . . . . 43.13 111.796 -178.893 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . 0.488 ' CA ' ' O ' ' A' ' 188' ' ' HOH 0.285 0.0 OUTLIER -55.02 126.85 26.31 Favored 'General case' 0 C--N 1.294 -1.817 1 CA-C-O 130.416 4.912 . . . . 47.52 111.502 -179.994 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . 0.601 ' CB ' ' O ' ' A' ' 165' ' ' HOH . 0.1 OUTLIER . . . . . 0 C--O 1.294 3.417 1 C-N-CA 136.39 5.876 . . . . 60.79 118.471 179.812 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . 0.601 ' O ' ' CB ' ' A' ' 85' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . 0.455 ' O ' ' CD ' ' A' ' 40' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . 1.042 ' O ' ' N ' ' A' ' 12' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . 0.948 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' HOH . . . . . 0.576 ' O ' ' CE ' ' A' ' 40' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' HOH . . . . . 0.629 ' O ' ' CB ' ' A' ' 71' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' HOH . . . . . 0.612 ' O ' ' O ' ' A' ' 83' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.487 ' CG ' ' N ' ' A' ' 2' ' ' PHE . 3.8 ttm . . . . . 0 C--O 1.245 0.832 0 CA-C-O 123.146 1.45 . . . . 48.299999999999997 107.115 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PHE . . . . . 0.547 ' CD2' ' HA ' ' A' ' 71' ' ' GLN 0.291 71.9 t80 -140.02 143.34 36.36 Favored 'General case' 0 C--O 1.276 2.479 0 N-CA-C 106.219 -1.771 . . . . 36.270000000000003 106.219 178.924 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -153.84 157.56 39.51 Favored 'General case' 0 C--O 1.271 2.193 0 O-C-N 120.051 -1.655 . . . . 52.229999999999997 108.042 178.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -151.87 147.4 26.56 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 116.025 -1.94 . . . . 33.079999999999998 107.166 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.55 151.47 19.29 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 125.257 1.598 . . . . 66.790000000000006 108.539 176.972 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.13 146.41 17.9 Favored 'Isoleucine or valine' 0 C--O 1.256 1.404 0 N-CA-C 105.518 -2.031 . . . . 17.510000000000002 105.518 176.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.3 m -97.22 136.35 37.85 Favored 'General case' 0 C--O 1.266 1.957 0 CA-C-O 121.689 0.757 . . . . 17.699999999999999 110.486 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . 0.905 ' CD1' ' O ' ' A' ' 174' ' ' HOH . 60.7 mt -87.79 114.69 26.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 101.66 -3.459 . . . . 25.579999999999998 101.66 -179.782 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.0 p -106.04 -4.85 19.99 Favored 'General case' 0 C--O 1.268 2.073 0 CA-C-O 113.799 -3.0 . . . . 22.239999999999998 115.676 179.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.6 140.28 86.87 Favored Pre-proline 0 C--N 1.292 -1.906 0 CA-C-N 122.334 2.334 . . . . 17.280000000000001 110.547 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -45.55 -46.75 14.27 Favored 'Trans proline' 0 C--O 1.296 3.406 1 C-N-CA 126.182 4.588 . . . . 28.699999999999999 117.209 177.024 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -103.19 27.73 6.96 Favored 'General case' 0 N--CA 1.538 3.94 0 O-C-N 117.467 -3.271 . . . . 32.950000000000003 106.134 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.57 -151.51 40.08 Favored Glycine 0 C--O 1.285 3.287 0 CA-C-O 127.406 3.781 . . . . 21.48 109.647 -178.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' HG ' ' HB2' ' A' ' 19' ' ' ALA . 16.7 tp -82.57 72.22 9.64 Favored 'General case' 0 C--O 1.265 1.911 0 CA-C-O 112.957 -3.401 . . . . 28.390000000000001 108.761 -175.783 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -68.75 -179.93 1.57 Allowed 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 121.846 2.112 . . . . 31.489999999999998 112.435 -178.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 m -43.24 -64.28 0.67 Allowed 'General case' 0 C--O 1.292 3.331 0 N-CA-C 120.797 3.628 . . . . 30.600000000000001 120.797 -175.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 36.5 ttt85 -61.31 -46.69 95.22 Favored Pre-proline 0 N--CA 1.492 1.638 0 CA-C-N 121.203 1.82 . . . . 27.18 112.116 -176.54 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 33.3 Cg_endo -65.24 -32.01 52.38 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 O-C-N 116.173 -2.593 . . . . 15.550000000000001 111.167 -177.417 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . . . -66.66 -37.65 85.23 Favored 'General case' 0 N--CA 1.52 3.037 0 CA-C-O 125.635 2.636 . . . . 16.460000000000001 108.252 -178.931 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.73 -39.26 73.47 Favored 'General case' 0 N--CA 1.492 1.635 1 O-C-N 115.672 -4.392 . . . . 19.550000000000001 109.78 179.521 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -66.34 -39.64 89.35 Favored 'General case' 0 CA--C 1.588 2.434 0 C-N-CA 116.686 -2.006 . . . . 66.620000000000005 107.06 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.36 -47.21 86.29 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-O 128.37 3.938 . . . . 19.300000000000001 109.451 -176.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.516 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 65.7 t -60.25 -43.2 92.88 Favored 'Isoleucine or valine' 0 C--O 1.276 2.488 0 O-C-N 118.515 -2.616 . . . . 17.27 112.005 -179.817 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -64.85 -39.07 92.97 Favored 'General case' 0 C--O 1.262 1.747 0 O-C-N 126.39 2.306 . . . . 64.209999999999994 111.794 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -70.03 -39.13 75.97 Favored 'General case' 0 CA--C 1.568 1.654 0 O-C-N 124.109 0.88 . . . . 71.579999999999998 109.341 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.44 -43.62 88.85 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-O 123.432 1.587 . . . . 13.619999999999999 110.341 177.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 80.7 mttt -62.29 -14.55 40.22 Favored 'General case' 0 C--O 1.269 2.112 0 O-C-N 118.873 -2.392 . . . . 31.800000000000001 113.388 178.445 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.41 -10.61 85.76 Favored Glycine 0 C--O 1.264 1.996 0 CA-C-O 116.033 -2.537 . . . . 14.279999999999999 110.133 -179.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . 0.529 ' HE1' ' HE3' ' A' ' 72' ' ' LYS . 75.7 m-85 -103.79 145.41 30.13 Favored 'General case' 0 C--N 1.402 2.866 0 O-C-N 127.843 2.731 . . . . 19.050000000000001 111.043 178.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.3 p -76.57 -29.41 56.6 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-O 113.086 -3.34 . . . . 22.5 112.848 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -56.71 158.81 4.33 Favored 'General case' 0 CA--C 1.574 1.891 0 O-C-N 126.342 2.276 . . . . 15.74 115.328 178.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.77 128.9 34.17 Favored 'General case' 0 C--O 1.269 2.11 1 N-CA-C 100.028 -4.064 . . . . 57.240000000000002 100.028 172.762 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.5 mt -127.66 135.15 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 O-C-N 119.569 -1.957 . . . . 14.630000000000001 107.437 -177.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.7 m -124.69 144.47 50.19 Favored 'General case' 0 C--O 1.262 1.739 0 O-C-N 128.687 3.742 . . . . 15.77 106.889 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.36 127.63 64.55 Favored 'Isoleucine or valine' 0 C--O 1.284 2.887 0 C-N-CA 128.463 2.705 . . . . 19.379999999999999 105.261 172.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 m -125.85 119.29 27.45 Favored 'General case' 0 C--O 1.277 2.523 0 O-C-N 119.642 -1.911 . . . . 13.99 111.928 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' SER . . . . . 0.422 ' HB2' HG12 ' A' ' 61' ' ' VAL . 30.6 t -126.89 124.02 38.58 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 127.804 3.19 . . . . 17.890000000000001 107.0 178.193 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.7 t30 51.11 39.62 23.83 Favored 'General case' 0 N--CA 1.515 2.78 0 O-C-N 120.824 -1.172 . . . . 18.870000000000001 112.397 -178.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.33 12.78 82.73 Favored Glycine 0 C--O 1.27 2.384 0 O-C-N 118.855 -2.403 . . . . 25.690000000000001 114.792 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . 0.61 ' HD3' ' O ' ' A' ' 168' ' ' HOH . 21.5 mttp -122.98 138.29 54.72 Favored 'General case' 0 N--CA 1.502 2.13 1 N-CA-C 100.029 -4.063 . . . . 48.5 100.029 178.65 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . 0.276 68.9 m -122.84 155.98 35.51 Favored 'General case' 0 N--CA 1.43 -1.464 1 CA-C-O 129.12 4.295 . . . . 15.289999999999999 114.851 -177.853 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.69 153.3 36.74 Favored 'General case' 0 C--O 1.253 1.28 0 CA-C-N 108.865 -3.789 . . . . 13.949999999999999 109.41 176.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . 0.585 ' H ' ' HE2' ' A' ' 49' ' ' LYS . 8.9 t -70.56 133.85 47.12 Favored 'General case' 0 C--O 1.274 2.343 0 N-CA-C 105.175 -2.158 . . . . 14.869999999999999 105.175 170.74 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.98 -7.57 51.75 Favored 'General case' 0 C--O 1.256 1.439 0 C-N-CA 116.938 -1.905 . . . . 17.629999999999999 111.59 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -96.7 12.1 33.09 Favored 'General case' 0 C--O 1.27 2.141 0 O-C-N 121.58 -0.7 . . . . 21.850000000000001 109.491 -176.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.14 106.88 6.97 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-O 124.502 2.096 . . . . 32.640000000000001 110.064 -179.402 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . 0.724 ' CD1' ' OE1' ' A' ' 51' ' ' GLN . 1.7 tm? -57.4 -38.3 74.07 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 112.617 -2.083 . . . . 38.780000000000001 109.528 178.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.36 -50.94 71.63 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-N 119.745 1.157 . . . . 26.579999999999998 112.701 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HE2' ' H ' ' A' ' 43' ' ' SER . 13.3 mtmm -69.16 -32.33 71.6 Favored 'General case' 0 C--O 1.265 1.891 0 O-C-N 117.339 -3.351 . . . . 68.219999999999999 111.949 -179.817 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.96 -34.08 75.46 Favored 'General case' 0 N--CA 1.512 2.656 0 C-N-CA 116.658 -2.017 . . . . 36.549999999999997 110.005 -177.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLN . . . . . 0.724 ' OE1' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -67.38 -10.61 52.83 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 115.359 -2.258 . . . . 106.75 110.953 -176.423 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.3 p -88.99 -8.41 54.13 Favored 'General case' 0 C--N 1.365 1.245 0 O-C-N 128.617 3.698 . . . . 18.93 111.601 -177.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.8 157.54 16.83 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 125.146 1.528 . . . . 20.469999999999999 110.362 -178.689 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.6 105.15 3.06 Favored Glycine 0 N--CA 1.512 3.753 0 N-CA-C 104.748 -3.341 . . . . 28.239999999999998 104.748 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.74 47.22 1.76 Allowed 'General case' 0 C--O 1.276 2.484 0 CA-C-O 113.644 -3.074 . . . . 20.98 105.227 -177.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.5 p -81.99 173.12 12.49 Favored 'General case' 0 C--O 1.271 2.212 0 O-C-N 128.919 3.887 . . . . 23.469999999999999 108.384 179.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.23 140.05 56.35 Favored 'General case' 0 C--O 1.274 2.389 0 O-C-N 120.12 -1.612 . . . . 24.399999999999999 111.08 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.2 -3.6 80.14 Favored Glycine 0 C--O 1.286 3.4 0 CA-C-O 124.984 2.435 . . . . 14.720000000000001 115.52 178.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.8 m -83.09 135.84 34.69 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-O 115.893 -2.003 . . . . 15.68 111.601 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.9 t -95.63 123.42 47.81 Favored 'Isoleucine or valine' 1 C--O 1.327 5.167 0 CA-C-N 121.609 2.004 . . . . 14.83 107.033 175.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . 1.032 HG13 ' O ' ' A' ' 174' ' ' HOH . 17.3 m -113.52 163.12 11.1 Favored 'Isoleucine or valine' 0 C--O 1.28 2.668 0 O-C-N 118.743 -2.473 . . . . 29.219999999999999 109.178 176.592 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.7 m -110.98 132.4 54.24 Favored 'General case' 0 C--O 1.265 1.92 1 O-C-N 129.884 4.49 . . . . 15.9 105.983 175.896 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.2 mt -111.31 121.3 63.67 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 N-CA-C 100.899 -3.741 . . . . 20.98 100.899 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.88 145.18 51.03 Favored 'General case' 0 C--O 1.294 3.408 0 CA-C-O 124.108 1.908 . . . . 20.18 108.283 178.388 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -140.84 155.06 46.43 Favored 'General case' 0 N--CA 1.504 2.254 0 C-N-CA 114.106 -3.037 . . . . 12.289999999999999 104.918 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . 0.43 ' HG2' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -144.2 113.88 7.16 Favored 'General case' 0 N--CA 1.492 1.673 1 O-C-N 131.634 5.583 . . . . 57.469999999999999 106.034 176.968 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.84 -172.64 41.33 Favored Glycine 0 N--CA 1.487 2.05 0 C-N-CA 114.417 -3.754 . . . . 20.079999999999998 105.561 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -56.91 -41.03 77.41 Favored 'General case' 0 C--O 1.267 1.983 0 CA-C-O 112.138 -3.791 . . . . 63.200000000000003 113.019 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.93 35.28 4.38 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 115.781 -2.368 . . . . 20.73 107.955 -178.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -54.97 -32.34 61.52 Favored 'General case' 0 C--O 1.255 1.392 1 N-CA-C 122.509 4.263 . . . . 28.489999999999998 122.509 -175.218 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . 0.881 ' HB2' ' O ' ' A' ' 185' ' ' HOH . 0.0 OUTLIER -74.85 -44.93 46.48 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 117.719 -3.113 . . . . 78.930000000000007 110.309 -177.051 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HE3' ' HE1' ' A' ' 29' ' ' PHE . 13.3 ttpp -63.72 -42.89 97.85 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 105.632 -1.988 . . . . 54.82 105.632 179.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.2 78.49 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 118.136 -1.425 . . . . 15.73 109.809 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.38 -43.75 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 O-C-N 119.098 -2.251 . . . . 14.949999999999999 108.814 -176.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -55.26 -48.66 73.67 Favored 'General case' 0 C--N 1.37 1.479 0 O-C-N 128.037 3.336 . . . . 48.880000000000003 109.939 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -67.22 -40.78 86.45 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 117.293 -1.337 . . . . 57.409999999999997 113.864 -179.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.58 -28.25 60.84 Favored 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 118.678 -1.209 . . . . 13.74 113.219 -173.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.51 -40.53 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 O-C-N 127.854 3.222 . . . . 17.5 107.242 -178.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -68.03 -48.04 66.77 Favored 'General case' 0 C--N 1.38 1.917 0 O-C-N 128.371 3.545 . . . . 40.240000000000002 107.084 -178.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . 0.742 ' HG ' ' CD2' ' A' ' 84' ' ' LEU . 33.0 tp -54.81 -46.9 74.58 Favored 'General case' 0 C--O 1.258 1.523 0 CA-C-O 128.434 3.969 . . . . 19.68 113.471 176.241 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.3 ttm -59.65 -38.13 80.59 Favored 'General case' 0 C--O 1.269 2.113 1 O-C-N 115.685 -4.384 . . . . 45.399999999999999 114.286 -178.972 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.44 -32.04 60.54 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 117.211 -3.431 . . . . 22.039999999999999 107.331 -177.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . 0.612 ' O ' ' O ' ' A' ' 188' ' ' HOH 0.366 25.0 mt-10 -79.13 -32.79 44.54 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 124.415 1.072 . . . . 43.130000000000003 111.796 -178.893 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . 0.742 ' CD2' ' HG ' ' A' ' 80' ' ' LEU 0.285 0.0 OUTLIER -55.02 126.85 26.31 Favored 'General case' 0 C--N 1.294 -1.817 1 CA-C-O 130.416 4.912 . . . . 47.520000000000003 111.502 -179.994 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . 0.823 ' HB3' ' O ' ' A' ' 165' ' ' HOH . 0.1 OUTLIER . . . . . 0 C--O 1.294 3.417 1 C-N-CA 136.39 5.876 . . . . 60.789999999999999 118.471 179.812 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . 0.539 ' O ' ' HG2' ' A' ' 49' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . 0.823 ' O ' ' HB3' ' A' ' 85' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . 0.61 ' O ' ' HD3' ' A' ' 40' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . 1.032 ' O ' HG13 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 180' ' ' HOH . . . . . 0.591 ' O ' ' HE2' ' A' ' 40' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' HOH . . . . . 0.545 ' O ' ' HD3' ' A' ' 40' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 185' ' ' HOH . . . . . 0.881 ' O ' ' HB2' ' A' ' 71' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 188' ' ' HOH . . . . . 0.65 ' O ' ' HA ' ' A' ' 84' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.487 ' CG ' ' N ' ' A' ' 2' ' ' PHE . 3.8 ttm . . . . . 0 C--O 1.245 0.832 0 CA-C-O 123.146 1.45 . . . . 48.299999999999997 107.115 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.547 ' CD2' ' HA ' ' A' ' 71' ' ' GLN 0.291 71.9 t80 -140.02 143.34 36.36 Favored 'General case' 0 C--O 1.276 2.479 0 N-CA-C 106.219 -1.771 . . . . 36.270000000000003 106.219 178.924 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -153.84 157.56 39.51 Favored 'General case' 0 C--O 1.271 2.193 0 O-C-N 120.051 -1.655 . . . . 52.229999999999997 108.042 178.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -151.87 147.4 26.56 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 116.025 -1.94 . . . . 33.079999999999998 107.166 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.55 151.47 19.29 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 125.257 1.598 . . . . 66.790000000000006 108.539 176.972 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.13 146.41 17.9 Favored 'Isoleucine or valine' 0 C--O 1.256 1.404 0 N-CA-C 105.518 -2.031 . . . . 17.510000000000002 105.518 176.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.3 m -97.22 136.35 37.85 Favored 'General case' 0 C--O 1.266 1.957 0 CA-C-O 121.689 0.757 . . . . 17.699999999999999 110.486 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.905 ' CD1' ' O ' ' A' ' 174' ' ' HOH . 60.7 mt -87.79 114.69 26.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 101.66 -3.459 . . . . 25.579999999999998 101.66 -179.782 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.0 p -106.04 -4.85 19.99 Favored 'General case' 0 C--O 1.268 2.073 0 CA-C-O 113.799 -3.0 . . . . 22.239999999999998 115.676 179.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.6 140.28 86.87 Favored Pre-proline 0 C--N 1.292 -1.906 0 CA-C-N 122.334 2.334 . . . . 17.280000000000001 110.547 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -45.55 -46.75 14.27 Favored 'Trans proline' 0 C--O 1.296 3.406 1 C-N-CA 126.182 4.588 . . . . 28.699999999999999 117.209 177.024 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -103.19 27.73 6.96 Favored 'General case' 0 N--CA 1.538 3.94 0 O-C-N 117.467 -3.271 . . . . 32.950000000000003 106.134 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.57 -151.51 40.08 Favored Glycine 0 C--O 1.285 3.287 0 CA-C-O 127.406 3.781 . . . . 21.48 109.647 -178.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' HG ' ' HB2' ' A' ' 19' ' ' ALA . 16.7 tp -82.57 72.22 9.64 Favored 'General case' 0 C--O 1.265 1.911 0 CA-C-O 112.957 -3.401 . . . . 28.390000000000001 108.761 -175.783 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.477 ' H ' ' CD2' ' A' ' 15' ' ' HIS . 6.2 p80 -68.75 -179.93 1.57 Allowed 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 121.846 2.112 . . . . 31.489999999999998 112.435 -178.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 m -43.24 -64.28 0.67 Allowed 'General case' 0 C--O 1.292 3.331 0 N-CA-C 120.797 3.628 . . . . 30.600000000000001 120.797 -175.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 36.5 ttt85 -61.31 -46.69 95.22 Favored Pre-proline 0 N--CA 1.492 1.638 0 CA-C-N 121.203 1.82 . . . . 27.18 112.116 -176.54 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 33.3 Cg_endo -65.24 -32.01 52.38 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 O-C-N 116.173 -2.593 . . . . 15.550000000000001 111.167 -177.417 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . . . -66.66 -37.65 85.23 Favored 'General case' 0 N--CA 1.52 3.037 0 CA-C-O 125.635 2.636 . . . . 16.460000000000001 108.252 -178.931 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.73 -39.26 73.47 Favored 'General case' 0 N--CA 1.492 1.635 1 O-C-N 115.672 -4.392 . . . . 19.550000000000001 109.78 179.521 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -66.34 -39.64 89.35 Favored 'General case' 0 CA--C 1.588 2.434 0 C-N-CA 116.686 -2.006 . . . . 66.620000000000005 107.06 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.36 -47.21 86.29 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-O 128.37 3.938 . . . . 19.300000000000001 109.451 -176.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.516 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 65.7 t -60.25 -43.2 92.88 Favored 'Isoleucine or valine' 0 C--O 1.276 2.488 0 O-C-N 118.515 -2.616 . . . . 17.27 112.005 -179.817 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -64.85 -39.07 92.97 Favored 'General case' 0 C--O 1.262 1.747 0 O-C-N 126.39 2.306 . . . . 64.209999999999994 111.794 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -70.03 -39.13 75.97 Favored 'General case' 0 CA--C 1.568 1.654 0 O-C-N 124.109 0.88 . . . . 71.579999999999998 109.341 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.44 -43.62 88.85 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-O 123.432 1.587 . . . . 13.619999999999999 110.341 177.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 80.7 mttt -62.29 -14.55 40.22 Favored 'General case' 0 C--O 1.269 2.112 0 O-C-N 118.873 -2.392 . . . . 31.800000000000001 113.388 178.445 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.41 -10.61 85.76 Favored Glycine 0 C--O 1.264 1.996 0 CA-C-O 116.033 -2.537 . . . . 14.279999999999999 110.133 -179.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.529 ' HE1' ' HE3' ' A' ' 72' ' ' LYS . 75.7 m-85 -103.79 145.41 30.13 Favored 'General case' 0 C--N 1.402 2.866 0 O-C-N 127.843 2.731 . . . . 19.050000000000001 111.043 178.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.3 p -76.57 -29.41 56.6 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-O 113.086 -3.34 . . . . 22.5 112.848 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -56.71 158.81 4.33 Favored 'General case' 0 CA--C 1.574 1.891 0 O-C-N 126.342 2.276 . . . . 15.74 115.328 178.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.77 128.9 34.17 Favored 'General case' 0 C--O 1.269 2.11 1 N-CA-C 100.028 -4.064 . . . . 57.240000000000002 100.028 172.762 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.5 mt -127.66 135.15 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 O-C-N 119.569 -1.957 . . . . 14.630000000000001 107.437 -177.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.7 m -124.69 144.47 50.19 Favored 'General case' 0 C--O 1.262 1.739 0 O-C-N 128.687 3.742 . . . . 15.77 106.889 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.36 127.63 64.55 Favored 'Isoleucine or valine' 0 C--O 1.284 2.887 0 C-N-CA 128.463 2.705 . . . . 19.379999999999999 105.261 172.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 m -125.85 119.29 27.45 Favored 'General case' 0 C--O 1.277 2.523 0 O-C-N 119.642 -1.911 . . . . 13.99 111.928 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' SER . . . . . 0.422 ' HB2' HG12 ' A' ' 61' ' ' VAL . 30.6 t -126.89 124.02 38.58 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 127.804 3.19 . . . . 17.890000000000001 107.0 178.193 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 51.11 39.62 23.83 Favored 'General case' 0 N--CA 1.515 2.78 0 O-C-N 120.824 -1.172 . . . . 18.870000000000001 112.397 -178.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.33 12.78 82.73 Favored Glycine 0 C--O 1.27 2.384 0 O-C-N 118.855 -2.403 . . . . 25.690000000000001 114.792 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.61 ' HD3' ' O ' ' A' ' 168' ' ' HOH . 21.5 mttp -122.98 138.29 54.72 Favored 'General case' 0 N--CA 1.502 2.13 1 N-CA-C 100.029 -4.063 . . . . 48.5 100.029 178.65 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . 0.276 68.9 m -122.84 155.98 35.51 Favored 'General case' 0 N--CA 1.43 -1.464 1 CA-C-O 129.12 4.295 . . . . 15.289999999999999 114.851 -177.853 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.69 153.3 36.74 Favored 'General case' 0 C--O 1.253 1.28 0 CA-C-N 108.865 -3.789 . . . . 13.949999999999999 109.41 176.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . 0.585 ' H ' ' HE2' ' A' ' 49' ' ' LYS . 8.9 t -70.56 133.85 47.12 Favored 'General case' 0 C--O 1.274 2.343 0 N-CA-C 105.175 -2.158 . . . . 14.869999999999999 105.175 170.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.98 -7.57 51.75 Favored 'General case' 0 C--O 1.256 1.439 0 C-N-CA 116.938 -1.905 . . . . 17.629999999999999 111.59 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -96.7 12.1 33.09 Favored 'General case' 0 C--O 1.27 2.141 0 O-C-N 121.58 -0.7 . . . . 21.850000000000001 109.491 -176.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.14 106.88 6.97 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-O 124.502 2.096 . . . . 32.640000000000001 110.064 -179.402 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.724 ' CD1' ' OE1' ' A' ' 51' ' ' GLN . 1.7 tm? -57.4 -38.3 74.07 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 112.617 -2.083 . . . . 38.780000000000001 109.528 178.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.36 -50.94 71.63 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-N 119.745 1.157 . . . . 26.579999999999998 112.701 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HE2' ' H ' ' A' ' 43' ' ' SER . 13.3 mtmm -69.16 -32.33 71.6 Favored 'General case' 0 C--O 1.265 1.891 0 O-C-N 117.339 -3.351 . . . . 68.219999999999999 111.949 -179.817 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.96 -34.08 75.46 Favored 'General case' 0 N--CA 1.512 2.656 0 C-N-CA 116.658 -2.017 . . . . 36.549999999999997 110.005 -177.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.724 ' OE1' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -67.38 -10.61 52.83 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 115.359 -2.258 . . . . 106.75 110.953 -176.423 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.3 p -88.99 -8.41 54.13 Favored 'General case' 0 C--N 1.365 1.245 0 O-C-N 128.617 3.698 . . . . 18.93 111.601 -177.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.8 157.54 16.83 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 125.146 1.528 . . . . 20.469999999999999 110.362 -178.689 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.6 105.15 3.06 Favored Glycine 0 N--CA 1.512 3.753 0 N-CA-C 104.748 -3.341 . . . . 28.239999999999998 104.748 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.74 47.22 1.76 Allowed 'General case' 0 C--O 1.276 2.484 0 CA-C-O 113.644 -3.074 . . . . 20.98 105.227 -177.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.5 p -81.99 173.12 12.49 Favored 'General case' 0 C--O 1.271 2.212 0 O-C-N 128.919 3.887 . . . . 23.469999999999999 108.384 179.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -59.23 140.05 56.35 Favored 'General case' 0 C--O 1.274 2.389 0 O-C-N 120.12 -1.612 . . . . 24.399999999999999 111.08 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.2 -3.6 80.14 Favored Glycine 0 C--O 1.286 3.4 0 CA-C-O 124.984 2.435 . . . . 14.720000000000001 115.52 178.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.8 m -83.09 135.84 34.69 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-O 115.893 -2.003 . . . . 15.68 111.601 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.9 t -95.63 123.42 47.81 Favored 'Isoleucine or valine' 1 C--O 1.327 5.167 0 CA-C-N 121.609 2.004 . . . . 14.83 107.033 175.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.032 HG13 ' O ' ' A' ' 174' ' ' HOH . 17.3 m -113.52 163.12 11.1 Favored 'Isoleucine or valine' 0 C--O 1.28 2.668 0 O-C-N 118.743 -2.473 . . . . 29.219999999999999 109.178 176.592 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 99.7 m -110.98 132.4 54.24 Favored 'General case' 0 C--O 1.265 1.92 1 O-C-N 129.884 4.49 . . . . 15.9 105.983 175.896 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.2 mt -111.31 121.3 63.67 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 N-CA-C 100.899 -3.741 . . . . 20.98 100.899 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.88 145.18 51.03 Favored 'General case' 0 C--O 1.294 3.408 0 CA-C-O 124.108 1.908 . . . . 20.18 108.283 178.388 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -140.84 155.06 46.43 Favored 'General case' 0 N--CA 1.504 2.254 0 C-N-CA 114.106 -3.037 . . . . 12.289999999999999 104.918 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.43 ' HG2' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -144.2 113.88 7.16 Favored 'General case' 0 N--CA 1.492 1.673 1 O-C-N 131.634 5.583 . . . . 57.469999999999999 106.034 176.968 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.84 -172.64 41.33 Favored Glycine 0 N--CA 1.487 2.05 0 C-N-CA 114.417 -3.754 . . . . 20.079999999999998 105.561 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -56.91 -41.03 77.41 Favored 'General case' 0 C--O 1.267 1.983 0 CA-C-O 112.138 -3.791 . . . . 63.200000000000003 113.019 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.93 35.28 4.38 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 115.781 -2.368 . . . . 20.73 107.955 -178.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -54.97 -32.34 61.52 Favored 'General case' 0 C--O 1.255 1.392 1 N-CA-C 122.509 4.263 . . . . 28.489999999999998 122.509 -175.218 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.881 ' HB2' ' O ' ' A' ' 185' ' ' HOH . 0.0 OUTLIER -74.85 -44.93 46.48 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 117.719 -3.113 . . . . 78.930000000000007 110.309 -177.051 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.561 ' NZ ' ' CE1' ' A' ' 76' ' ' HIS . 13.3 ttpp -63.72 -42.89 97.85 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 105.632 -1.988 . . . . 54.82 105.632 179.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.2 78.49 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 118.136 -1.425 . . . . 15.73 109.809 -177.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.38 -43.75 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 O-C-N 119.098 -2.251 . . . . 14.949999999999999 108.814 -176.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -55.26 -48.66 73.67 Favored 'General case' 0 C--N 1.37 1.479 0 O-C-N 128.037 3.336 . . . . 48.880000000000003 109.939 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.561 ' CE1' ' NZ ' ' A' ' 72' ' ' LYS . 12.9 m-70 -67.22 -40.78 86.45 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 117.293 -1.337 . . . . 57.409999999999997 113.864 -179.665 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.58 -28.25 60.84 Favored 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 118.678 -1.209 . . . . 13.74 113.219 -173.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.51 -40.53 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 O-C-N 127.854 3.222 . . . . 17.5 107.242 -178.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -68.03 -48.04 66.77 Favored 'General case' 0 C--N 1.38 1.917 0 O-C-N 128.371 3.545 . . . . 40.240000000000002 107.084 -178.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.742 ' HG ' ' CD2' ' A' ' 84' ' ' LEU . 33.0 tp -54.81 -46.9 74.58 Favored 'General case' 0 C--O 1.258 1.523 0 CA-C-O 128.434 3.969 . . . . 19.68 113.471 176.241 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.3 ttm -59.65 -38.13 80.59 Favored 'General case' 0 C--O 1.269 2.113 1 O-C-N 115.685 -4.384 . . . . 45.399999999999999 114.286 -178.972 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.44 -32.04 60.54 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 117.211 -3.431 . . . . 22.039999999999999 107.331 -177.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.612 ' O ' ' O ' ' A' ' 188' ' ' HOH 0.366 25.0 mt-10 -79.13 -32.79 44.54 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 124.415 1.072 . . . . 43.130000000000003 111.796 -178.893 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.742 ' CD2' ' HG ' ' A' ' 80' ' ' LEU 0.285 0.0 OUTLIER -55.02 126.85 26.31 Favored 'General case' 0 C--N 1.294 -1.817 1 CA-C-O 130.416 4.912 . . . . 47.520000000000003 111.502 -179.994 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.823 ' HB3' ' O ' ' A' ' 165' ' ' HOH . 0.1 OUTLIER . . . . . 0 C--O 1.294 3.417 1 C-N-CA 136.39 5.876 . . . . 60.789999999999999 118.471 179.812 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . 0.539 ' O ' ' HG2' ' A' ' 49' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . 0.823 ' O ' ' HB3' ' A' ' 85' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . 0.61 ' O ' ' HD3' ' A' ' 40' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . 1.032 ' O ' HG13 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' HOH . . . . . 0.591 ' O ' ' HE2' ' A' ' 40' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' HOH . . . . . 0.545 ' O ' ' HD3' ' A' ' 40' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' HOH . . . . . 0.881 ' O ' ' HB2' ' A' ' 71' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' HOH . . . . . 0.65 ' O ' ' HA ' ' A' ' 84' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_