data_6w67_residue ############################ # Computer software used # ############################ 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 6w67 _Structure_validation_residue.Date_analyzed 2020-08-14 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 ' 51' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 121.029 0.443 . . . . 93.88 111.78 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -115.2 129.74 56.73 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.528 1.131 . . . . 111.29 109.216 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.4 t -133.01 138.75 46.92 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 110.361 -0.237 . . . . 85.9 110.361 -176.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -137.75 146.21 43.39 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.304 0.573 . . . . 65.14 110.726 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.5 m -138.83 128.84 25.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.341 -0.845 . . . . 58.31 109.088 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.3 tp -99.96 110.03 22.37 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.256 -1.016 . . . . 61.78 108.256 170.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.76 -37.98 82.82 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.457 -0.497 . . . . 89.08 111.507 -175.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -72.55 -3.21 23.23 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 113.06 0.763 . . . . 72.35 113.06 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -63.03 -47.2 84.04 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.369 -0.932 . . . . 58.11 111.659 -168.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -65.54 -36.69 84.53 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 117.673 -1.611 . . . . 51.58 110.455 -174.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -55.71 -52.69 63.04 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 119.948 -0.701 . . . . 80.62 111.139 171.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -60.7 -45.28 94.8 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.858 0.361 . . . . 57.27 111.544 -176.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.93 -33.62 75.98 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.073 -0.651 . . . . 46.84 111.747 -176.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -68.53 -33.8 74.74 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 118.812 -1.155 . . . . 47.05 110.866 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.47 -40.78 96.64 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.217 -0.992 . . . . 45.98 112.187 175.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.1 mt -72.4 -38.75 61.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 C-N-CA 119.995 -0.682 . . . . 46.51 110.688 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.0 mtm -60.43 -37.71 81.76 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.118 -1.033 . . . . 47.38 111.463 176.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -65.69 -37.53 86.72 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 119.59 -0.844 . . . . 46.44 111.246 175.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -62.6 -42.37 99.53 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 119.96 -0.696 . . . . 61.35 111.029 176.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.47 -30.93 71.77 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 118.13 -1.428 . . . . 44.53 110.699 -179.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -68.84 -48.72 62.8 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.944 -0.702 . . . . 41.46 110.15 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.38 -28.52 69.3 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.143 -1.023 . . . . 45.4 111.552 179.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -89.26 0.2 56.97 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 112.763 0.653 . . . . 48.82 112.763 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 54.78 43.72 29.61 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.933 0.873 . . . . 50.78 111.986 -179.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -109.91 136.22 49.54 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.665 -0.698 . . . . 62.97 110.226 176.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.8 mt 66.69 12.95 9.14 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 125.541 1.536 . . . . 44.71 112.238 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 86.3 m -73.07 141.93 47.59 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.652 0.739 . . . . 44.08 111.534 178.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -125.67 4.22 7.49 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.886 1.069 . . . . 50.14 113.886 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.8 p -143.81 135.41 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 119.068 0.849 . . . . 48.63 109.271 177.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.5 m -115.25 115.7 27.1 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.551 -0.907 . . . . 56.27 108.551 173.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.6 mt -89.63 112.97 24.35 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.587 -0.894 . . . . 52.28 108.587 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -94.95 110.1 22.03 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.636 -1.246 . . . . 76.0 107.636 174.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.7 t -105.41 111.66 35.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 108.042 -1.095 . . . . 60.74 108.042 -173.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -118.51 123.05 44.17 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.251 -1.018 . . . . 67.32 108.251 173.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -131.81 115.85 16.47 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.044 -1.095 . . . . 68.41 108.044 -176.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 43.15 -112.17 0.21 Allowed 'General case' 0 C--O 1.239 0.507 0 N-CA-C 114.018 1.118 . . . . 75.48 114.018 175.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -103.94 -5.21 22.47 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.214 0.82 . . . . 83.19 113.214 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.97 149.22 93.96 Favored Pre-proline 0 C--O 1.239 0.516 0 CA-C-N 118.217 0.462 . . . . 68.35 110.123 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -64.8 143.13 79.12 Favored 'Trans proline' 0 C--O 1.235 0.354 0 N-CA-C 109.907 -0.843 . . . . 54.25 109.907 178.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.62 141.71 58.37 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.89 -0.724 . . . . 57.08 110.203 177.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.67 166.1 20.48 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.785 0.803 . . . . 53.35 109.98 174.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -132.56 139.5 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.869 1.268 . . . . 73.27 109.324 -175.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -135.24 122.54 21.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.514 -0.921 . . . . 52.19 108.514 174.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 93.2 mtp -90.74 147.4 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.604 -0.888 . . . . 62.65 108.604 173.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -161.72 178.64 8.8 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.003 -0.74 . . . . 41.65 109.003 -176.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -105.35 124.61 49.84 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.909 -0.587 . . . . 39.09 109.541 174.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.64 -39.33 67.87 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 123.492 0.495 . . . . 54.4 111.702 -177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.1 p -68.87 -31.14 49.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 C-N-CA 118.983 -1.087 . . . . 38.03 110.779 -175.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.9 t -72.86 -47.58 48.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 118.915 -1.114 . . . . 38.46 110.551 174.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.6 mt -54.39 -45.55 72.9 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 118.858 -1.137 . . . . 38.64 109.745 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.83 69.29 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 111.999 0.37 . . . . 41.68 111.999 -178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.4 p -78.46 -12.59 60.02 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 112.957 0.725 . . . . 43.86 112.957 -175.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.7 m -118.51 -12.17 9.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 112.592 0.59 . . . . 51.05 112.592 -174.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 t -140.57 113.43 7.22 Favored Pre-proline 0 C--O 1.239 0.525 0 C-N-CA 124.229 1.012 . . . . 44.9 110.643 -177.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.84 -27.87 36.48 Favored 'Trans proline' 0 C--O 1.24 0.603 0 N-CA-C 114.066 0.756 . . . . 49.02 114.066 173.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.35 -40.07 42.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 121.274 0.559 . . . . 41.18 110.57 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -65.59 -39.05 91.16 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 118.673 -1.211 . . . . 44.6 111.4 173.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -56.3 -51.65 67.41 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.373 -0.531 . . . . 53.05 111.561 -179.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.03 86.59 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 122.065 -0.397 . . . . 47.37 111.589 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.3 ttm -54.81 -36.35 64.87 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 112.392 0.516 . . . . 64.05 112.392 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -99.13 -26.23 14.28 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 114.108 1.151 . . . . 54.17 114.108 -173.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.4 p -83.93 102.42 12.41 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.846 -1.168 . . . . 69.84 107.846 178.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -133.51 163.35 29.59 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.949 1.299 . . . . 93.86 107.872 171.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -59.51 -23.44 58.23 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 120.315 -0.945 . . . . 104.02 113.806 -175.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.78 145.01 36.68 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.808 0.813 . . . . 103.36 111.617 -174.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -86.95 92.6 9.08 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 106.406 -1.701 . . . . 105.94 106.406 164.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 140.06 58.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.606 -0.725 . . . . 106.33 109.811 178.091 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -97.07 96.4 8.44 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.585 -0.524 . . . . 106.35 109.585 -172.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.38 -114.88 3.99 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 115.784 1.074 . . . . 99.41 115.784 172.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 50.4 tpp -110.55 104.04 12.71 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.445 0.698 . . . . 75.9 111.767 -163.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -86.85 133.25 33.64 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.418 0.687 . . . . 73.28 110.001 176.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.6 t -94.88 135.71 28.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 108.653 -0.869 . . . . 61.88 108.653 169.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 56.1 t -125.08 122.88 64.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 N-CA-C 108.354 -0.98 . . . . 60.19 108.354 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.9 m -84.8 127.85 34.33 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.217 -0.66 . . . . 64.1 109.217 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.9 mt -116.97 124.42 72.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.381 -0.6 . . . . 56.3 109.381 -176.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -112.51 156.16 23.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.49 0.662 . . . . 82.71 109.871 -177.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 74.53 12.31 82.43 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.689 -1.244 . . . . 59.75 116.183 166.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.5 tt -135.78 139.16 46.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.28 -1.378 . . . . 58.0 107.28 171.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -70.68 146.35 93.49 Favored Pre-proline 0 C--O 1.237 0.42 0 C-N-CA 119.734 -0.786 . . . . 58.66 109.771 -178.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -47.27 -45.94 20.92 Favored 'Trans proline' 0 C--O 1.238 0.499 0 N-CA-C 115.35 1.25 . . . . 50.91 115.35 172.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -66.8 -28.91 68.76 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 118.41 -1.316 . . . . 85.73 111.928 -176.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 19.9 t -70.82 -51.35 36.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 119.417 -0.913 . . . . 53.64 110.076 178.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 6.7 tpt -49.29 -49.51 43.4 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 121.091 0.472 . . . . 66.45 111.331 173.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.12 -48.28 64.9 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.509 -0.476 . . . . 71.29 110.763 177.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -68.15 -29.67 68.62 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 119.223 -0.991 . . . . 97.31 111.816 -176.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 82.6 mt -73.35 -46.49 48.97 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.716 -0.393 . . . . 42.85 110.59 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 96.2 mt -52.22 -47.9 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 121.384 0.611 . . . . 42.9 110.699 171.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -59.03 -39.25 81.38 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.461 -0.895 . . . . 70.58 111.336 178.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -62.96 -44.75 95.19 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 119.383 -0.927 . . . . 46.01 110.314 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.55 66.87 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.518 -0.473 . . . . 43.84 111.697 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -97.55 -13.98 21.31 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.259 1.207 . . . . 45.35 114.259 -174.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 54.3 p -126.58 -13.63 5.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.376 1.25 . . . . 48.06 114.376 -172.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . 73.77 2.11 4.13 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 126.848 2.059 . . . . 51.62 113.031 -176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 34.0 m -126.83 157.34 39.53 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.027 0.931 . . . . 52.36 109.888 -177.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 18.8 tt -148.87 144.79 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 107.625 -1.25 . . . . 64.83 107.625 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.4 t -140.53 144.63 36.04 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.928 -0.767 . . . . 82.2 108.928 -175.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -165.23 156.89 14.89 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.818 -0.628 . . . . 84.45 109.658 -173.742 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -81.27 154.56 35.11 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 120.537 -0.84 . . . . 80.57 111.869 173.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -55.86 -14.77 2.61 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.438 0.903 . . . . 88.02 113.438 -168.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -100.64 -9.34 22.0 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.775 0.657 . . . . 94.0 112.775 178.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 15.8 m -81.89 -20.68 38.31 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 118.948 -0.549 . . . . 91.43 112.373 170.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.3 t -53.77 -30.63 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 112.539 0.57 . . . . 72.0 112.539 -170.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 20.0 tp -76.64 -44.7 32.97 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 118.592 -1.243 . . . . 59.58 111.526 -175.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -65.72 -28.74 69.27 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 122.047 -0.408 . . . . 76.44 111.934 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 44.6 t -72.43 -38.51 60.65 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 C-N-CA 119.834 -0.746 . . . . 57.9 110.004 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.0 ttp -63.44 -42.92 98.67 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 118.847 -1.141 . . . . 60.85 110.677 174.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -50.21 -53.01 31.04 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 120.739 0.304 . . . . 57.98 111.16 173.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.49 99.45 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 120.2 -1.0 . . . . 45.27 113.185 178.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.68 94.22 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 122.121 -0.635 . . . . 48.43 111.748 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.44 -43.64 98.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 119.109 -1.036 . . . . 44.37 110.155 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 16.1 ttt -63.07 -31.09 72.14 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.173 -0.611 . . . . 77.83 112.329 -177.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -107.54 13.89 26.33 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.545 -0.722 . . . . 51.47 112.372 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 50.84 47.55 24.44 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 122.325 1.059 . . . . 55.96 111.278 171.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 39.7 mt -91.54 82.61 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 N-CA-C 105.595 -2.002 . . . . 55.73 105.595 173.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -42.36 -52.09 4.68 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 125.394 1.478 . . . . 82.22 113.169 -175.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -40.76 82.84 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 116.239 -0.437 . . . . 58.51 111.445 -174.173 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 79.5 t -77.07 -38.46 27.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-O 120.961 0.41 . . . . 51.67 110.576 -174.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 53.3 t -54.97 -51.75 50.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.184 0.516 . . . . 53.53 110.08 174.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 9.9 ttm-85 -58.85 -35.24 72.61 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.837 -0.745 . . . . 79.8 111.571 -177.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -75.93 -44.71 38.83 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.407 -0.517 . . . . 56.35 111.839 -176.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 89.4 m -63.92 -31.52 72.74 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.065 -0.654 . . . . 66.12 111.693 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.71 -45.51 74.86 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.942 -0.303 . . . . 57.77 110.89 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -55.44 -42.34 74.07 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.258 -0.577 . . . . 81.24 111.576 176.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -66.55 -49.88 64.98 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.453 -0.499 . . . . 81.79 111.538 -176.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.38 -41.06 83.96 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.476 -0.489 . . . . 65.12 111.731 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 81.1 t -63.3 -38.21 81.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 O-C-N 122.011 -0.43 . . . . 66.44 111.144 177.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.4 -18.74 63.79 Favored 'General case' 0 C--N 1.343 0.289 0 O-C-N 121.656 -0.652 . . . . 88.19 112.632 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -76.94 27.48 0.14 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.498 0.59 . . . . 83.57 112.206 174.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 C--O 1.236 0.349 0 O-C-N 121.961 -0.462 . . . . 77.67 111.126 -172.424 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 121.029 0.443 . . . . 93.88 111.78 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -115.2 129.74 56.73 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.528 1.131 . . . . 111.29 109.216 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.4 t -133.01 138.75 46.92 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 110.361 -0.237 . . . . 85.9 110.361 -176.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -137.75 146.21 43.39 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.304 0.573 . . . . 65.14 110.726 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.5 m -138.83 128.84 25.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.341 -0.845 . . . . 58.31 109.088 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' A' ' 59' ' ' HIS . 52.3 tp -99.96 110.03 22.37 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.256 -1.016 . . . . 61.78 108.256 170.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.76 -37.98 82.82 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.457 -0.497 . . . . 89.08 111.507 -175.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -72.55 -3.21 23.23 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 113.06 0.763 . . . . 72.35 113.06 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HIS . . . . . 0.471 ' HB2' HD23 ' A' ' 56' ' ' LEU . 61.6 t60 -63.03 -47.2 84.04 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.369 -0.932 . . . . 58.11 111.659 -168.599 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -65.54 -36.69 84.53 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 117.673 -1.611 . . . . 51.58 110.455 -174.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -55.71 -52.69 63.04 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 119.948 -0.701 . . . . 80.62 111.139 171.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -60.7 -45.28 94.8 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.858 0.361 . . . . 57.27 111.544 -176.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.93 -33.62 75.98 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.073 -0.651 . . . . 46.84 111.747 -176.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -68.53 -33.8 74.74 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 118.812 -1.155 . . . . 47.05 110.866 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' A' ' 69' ' ' GLU . . . -59.47 -40.78 96.64 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.217 -0.992 . . . . 45.98 112.187 175.529 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.1 mt -72.4 -38.75 61.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 C-N-CA 119.995 -0.682 . . . . 46.51 110.688 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.0 mtm -60.43 -37.71 81.76 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.118 -1.033 . . . . 47.38 111.463 176.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -65.69 -37.53 86.72 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 119.59 -0.844 . . . . 46.44 111.246 175.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 91.3 mt-10 -62.6 -42.37 99.53 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 119.96 -0.696 . . . . 61.35 111.029 176.59 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.47 -30.93 71.77 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 118.13 -1.428 . . . . 44.53 110.699 -179.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -68.84 -48.72 62.8 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.944 -0.702 . . . . 41.46 110.15 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.38 -28.52 69.3 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.143 -1.023 . . . . 45.4 111.552 179.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -89.26 0.2 56.97 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 112.763 0.653 . . . . 48.82 112.763 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 54.78 43.72 29.61 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.933 0.873 . . . . 50.78 111.986 -179.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -109.91 136.22 49.54 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.665 -0.698 . . . . 62.97 110.226 176.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.8 mt 66.69 12.95 9.14 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 125.541 1.536 . . . . 44.71 112.238 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 86.3 m -73.07 141.93 47.59 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.652 0.739 . . . . 44.08 111.534 178.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -125.67 4.22 7.49 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.886 1.069 . . . . 50.14 113.886 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.8 p -143.81 135.41 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 119.068 0.849 . . . . 48.63 109.271 177.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.5 m -115.25 115.7 27.1 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.551 -0.907 . . . . 56.27 108.551 173.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.6 mt -89.63 112.97 24.35 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.587 -0.894 . . . . 52.28 108.587 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -94.95 110.1 22.03 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.636 -1.246 . . . . 76.0 107.636 174.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.7 t -105.41 111.66 35.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 108.042 -1.095 . . . . 60.74 108.042 -173.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' HD3' ' HB2' ' A' ' 90' ' ' ALA . 17.9 tptp -118.51 123.05 44.17 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.251 -1.018 . . . . 67.32 108.251 173.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -131.81 115.85 16.47 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.044 -1.095 . . . . 68.41 108.044 -176.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 43.15 -112.17 0.21 Allowed 'General case' 0 C--O 1.239 0.507 0 N-CA-C 114.018 1.118 . . . . 75.48 114.018 175.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -103.94 -5.21 22.47 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.214 0.82 . . . . 83.19 113.214 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.97 149.22 93.96 Favored Pre-proline 0 C--O 1.239 0.516 0 CA-C-N 118.217 0.462 . . . . 68.35 110.123 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -64.8 143.13 79.12 Favored 'Trans proline' 0 C--O 1.235 0.354 0 N-CA-C 109.907 -0.843 . . . . 54.25 109.907 178.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . 0.417 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . . . -62.62 141.71 58.37 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.89 -0.724 . . . . 57.08 110.203 177.512 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.67 166.1 20.48 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.785 0.803 . . . . 53.35 109.98 174.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -132.56 139.5 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.869 1.268 . . . . 73.27 109.324 -175.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -135.24 122.54 21.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.514 -0.921 . . . . 52.19 108.514 174.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 93.2 mtp -90.74 147.4 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.604 -0.888 . . . . 62.65 108.604 173.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -161.72 178.64 8.8 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.003 -0.74 . . . . 41.65 109.003 -176.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -105.35 124.61 49.84 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.909 -0.587 . . . . 39.09 109.541 174.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.64 -39.33 67.87 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 123.492 0.495 . . . . 54.4 111.702 -177.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.1 p -68.87 -31.14 49.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 C-N-CA 118.983 -1.087 . . . . 38.03 110.779 -175.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.9 t -72.86 -47.58 48.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 118.915 -1.114 . . . . 38.46 110.551 174.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.6 mt -54.39 -45.55 72.9 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 118.858 -1.137 . . . . 38.64 109.745 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.83 69.29 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 111.999 0.37 . . . . 41.68 111.999 -178.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.4 p -78.46 -12.59 60.02 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 112.957 0.725 . . . . 43.86 112.957 -175.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.7 m -118.51 -12.17 9.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 112.592 0.59 . . . . 51.05 112.592 -174.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 t -140.57 113.43 7.22 Favored Pre-proline 0 C--O 1.239 0.525 0 C-N-CA 124.229 1.012 . . . . 44.9 110.643 -177.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.84 -27.87 36.48 Favored 'Trans proline' 0 C--O 1.24 0.603 0 N-CA-C 114.066 0.756 . . . . 49.02 114.066 173.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.35 -40.07 42.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 121.274 0.559 . . . . 41.18 110.57 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -65.59 -39.05 91.16 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 118.673 -1.211 . . . . 44.6 111.4 173.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -56.3 -51.65 67.41 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.373 -0.531 . . . . 53.05 111.561 -179.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.03 86.59 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 122.065 -0.397 . . . . 47.37 111.589 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.3 ttm -54.81 -36.35 64.87 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 112.392 0.516 . . . . 64.05 112.392 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -99.13 -26.23 14.28 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 114.108 1.151 . . . . 54.17 114.108 -173.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.4 p -83.93 102.42 12.41 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.846 -1.168 . . . . 69.84 107.846 178.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . 0.558 ' HB2' HD23 ' A' ' 115' ' ' LEU . 67.1 m-20 -133.51 163.35 29.59 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.949 1.299 . . . . 93.86 107.872 171.033 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -59.51 -23.44 58.23 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 120.315 -0.945 . . . . 104.02 113.806 -175.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -77.78 145.01 36.68 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.808 0.813 . . . . 103.36 111.617 -174.039 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -86.95 92.6 9.08 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 106.406 -1.701 . . . . 105.94 106.406 164.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLU . . . . . 0.491 ' HG2' ' HG ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -63.66 140.06 58.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.606 -0.725 . . . . 106.33 109.811 178.091 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -97.07 96.4 8.44 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.585 -0.524 . . . . 106.35 109.585 -172.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.38 -114.88 3.99 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 115.784 1.074 . . . . 99.41 115.784 172.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 50.4 tpp -110.55 104.04 12.71 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.445 0.698 . . . . 75.9 111.767 -163.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -86.85 133.25 33.64 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.418 0.687 . . . . 73.28 110.001 176.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.6 t -94.88 135.71 28.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 108.653 -0.869 . . . . 61.88 108.653 169.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 56.1 t -125.08 122.88 64.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 N-CA-C 108.354 -0.98 . . . . 60.19 108.354 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.9 m -84.8 127.85 34.33 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.217 -0.66 . . . . 64.1 109.217 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.9 mt -116.97 124.42 72.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.381 -0.6 . . . . 56.3 109.381 -176.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -112.51 156.16 23.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.49 0.662 . . . . 82.71 109.871 -177.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 74.53 12.31 82.43 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.689 -1.244 . . . . 59.75 116.183 166.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.5 tt -135.78 139.16 46.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.28 -1.378 . . . . 58.0 107.28 171.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -70.68 146.35 93.49 Favored Pre-proline 0 C--O 1.237 0.42 0 C-N-CA 119.734 -0.786 . . . . 58.66 109.771 -178.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -47.27 -45.94 20.92 Favored 'Trans proline' 0 C--O 1.238 0.499 0 N-CA-C 115.35 1.25 . . . . 50.91 115.35 172.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -66.8 -28.91 68.76 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 118.41 -1.316 . . . . 85.73 111.928 -176.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 19.9 t -70.82 -51.35 36.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 119.417 -0.913 . . . . 53.64 110.076 178.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 6.7 tpt -49.29 -49.51 43.4 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 121.091 0.472 . . . . 66.45 111.331 173.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.12 -48.28 64.9 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.509 -0.476 . . . . 71.29 110.763 177.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -68.15 -29.67 68.62 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 119.223 -0.991 . . . . 97.31 111.816 -176.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 82.6 mt -73.35 -46.49 48.97 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.716 -0.393 . . . . 42.85 110.59 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 96.2 mt -52.22 -47.9 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 121.384 0.611 . . . . 42.9 110.699 171.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -59.03 -39.25 81.38 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.461 -0.895 . . . . 70.58 111.336 178.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -62.96 -44.75 95.19 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 119.383 -0.927 . . . . 46.01 110.314 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.55 66.87 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.518 -0.473 . . . . 43.84 111.697 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -97.55 -13.98 21.31 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.259 1.207 . . . . 45.35 114.259 -174.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 54.3 p -126.58 -13.63 5.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.376 1.25 . . . . 48.06 114.376 -172.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . 73.77 2.11 4.13 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 126.848 2.059 . . . . 51.62 113.031 -176.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 34.0 m -126.83 157.34 39.53 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.027 0.931 . . . . 52.36 109.888 -177.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 18.8 tt -148.87 144.79 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 107.625 -1.25 . . . . 64.83 107.625 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.4 t -140.53 144.63 36.04 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.928 -0.767 . . . . 82.2 108.928 -175.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -165.23 156.89 14.89 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.818 -0.628 . . . . 84.45 109.658 -173.742 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -81.27 154.56 35.11 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 120.537 -0.84 . . . . 80.57 111.869 173.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -55.86 -14.77 2.61 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.438 0.903 . . . . 88.02 113.438 -168.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -100.64 -9.34 22.0 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.775 0.657 . . . . 94.0 112.775 178.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 15.8 m -81.89 -20.68 38.31 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 118.948 -0.549 . . . . 91.43 112.373 170.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.3 t -53.77 -30.63 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 112.539 0.57 . . . . 72.0 112.539 -170.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 20.0 tp -76.64 -44.7 32.97 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 118.592 -1.243 . . . . 59.58 111.526 -175.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -65.72 -28.74 69.27 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 122.047 -0.408 . . . . 76.44 111.934 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 44.6 t -72.43 -38.51 60.65 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 C-N-CA 119.834 -0.746 . . . . 57.9 110.004 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.0 ttp -63.44 -42.92 98.67 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 118.847 -1.141 . . . . 60.85 110.677 174.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -50.21 -53.01 31.04 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 120.739 0.304 . . . . 57.98 111.16 173.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.49 99.45 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 120.2 -1.0 . . . . 45.27 113.185 178.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.68 94.22 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 122.121 -0.635 . . . . 48.43 111.748 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.44 -43.64 98.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 119.109 -1.036 . . . . 44.37 110.155 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 16.1 ttt -63.07 -31.09 72.14 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.173 -0.611 . . . . 77.83 112.329 -177.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -107.54 13.89 26.33 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.545 -0.722 . . . . 51.47 112.372 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 50.84 47.55 24.44 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 122.325 1.059 . . . . 55.96 111.278 171.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 39.7 mt -91.54 82.61 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 N-CA-C 105.595 -2.002 . . . . 55.73 105.595 173.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -42.36 -52.09 4.68 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 125.394 1.478 . . . . 82.22 113.169 -175.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -40.76 82.84 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 116.239 -0.437 . . . . 58.51 111.445 -174.173 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 79.5 t -77.07 -38.46 27.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-O 120.961 0.41 . . . . 51.67 110.576 -174.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 53.3 t -54.97 -51.75 50.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.184 0.516 . . . . 53.53 110.08 174.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 9.9 ttm-85 -58.85 -35.24 72.61 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.837 -0.745 . . . . 79.8 111.571 -177.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -75.93 -44.71 38.83 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.407 -0.517 . . . . 56.35 111.839 -176.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 89.4 m -63.92 -31.52 72.74 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.065 -0.654 . . . . 66.12 111.693 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.71 -45.51 74.86 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.942 -0.303 . . . . 57.77 110.89 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -55.44 -42.34 74.07 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.258 -0.577 . . . . 81.24 111.576 176.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -66.55 -49.88 64.98 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.453 -0.499 . . . . 81.79 111.538 -176.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.38 -41.06 83.96 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.476 -0.489 . . . . 65.12 111.731 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 81.1 t -63.3 -38.21 81.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 O-C-N 122.011 -0.43 . . . . 66.44 111.144 177.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.4 -18.74 63.79 Favored 'General case' 0 C--N 1.343 0.289 0 O-C-N 121.656 -0.652 . . . . 88.19 112.632 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -76.94 27.48 0.14 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.498 0.59 . . . . 83.57 112.206 174.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 C--O 1.236 0.349 0 O-C-N 121.961 -0.462 . . . . 77.67 111.126 -172.424 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 121.029 0.443 . . . . 93.88 111.78 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -115.2 129.74 56.73 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.528 1.131 . . . . 111.29 109.216 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.4 t -133.01 138.75 46.92 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 110.361 -0.237 . . . . 85.9 110.361 -176.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -137.75 146.21 43.39 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.304 0.573 . . . . 65.14 110.726 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.5 m -138.83 128.84 25.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.341 -0.845 . . . . 58.31 109.088 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' A' ' 59' ' ' HIS . 52.3 tp -99.96 110.03 22.37 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.256 -1.016 . . . . 61.78 108.256 170.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.76 -37.98 82.82 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.457 -0.497 . . . . 89.08 111.507 -175.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -72.55 -3.21 23.23 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 113.06 0.763 . . . . 72.35 113.06 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.471 ' HB2' HD23 ' A' ' 56' ' ' LEU . 61.6 t60 -63.03 -47.2 84.04 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.369 -0.932 . . . . 58.11 111.659 -168.599 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -65.54 -36.69 84.53 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 117.673 -1.611 . . . . 51.58 110.455 -174.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -55.71 -52.69 63.04 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 119.948 -0.701 . . . . 80.62 111.139 171.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -60.7 -45.28 94.8 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.858 0.361 . . . . 57.27 111.544 -176.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.93 -33.62 75.98 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.073 -0.651 . . . . 46.84 111.747 -176.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -68.53 -33.8 74.74 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 118.812 -1.155 . . . . 47.05 110.866 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' A' ' 69' ' ' GLU . . . -59.47 -40.78 96.64 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.217 -0.992 . . . . 45.98 112.187 175.529 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.1 mt -72.4 -38.75 61.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 C-N-CA 119.995 -0.682 . . . . 46.51 110.688 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.0 mtm -60.43 -37.71 81.76 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.118 -1.033 . . . . 47.38 111.463 176.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -65.69 -37.53 86.72 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 119.59 -0.844 . . . . 46.44 111.246 175.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 91.3 mt-10 -62.6 -42.37 99.53 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 119.96 -0.696 . . . . 61.35 111.029 176.59 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.47 -30.93 71.77 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 118.13 -1.428 . . . . 44.53 110.699 -179.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -68.84 -48.72 62.8 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.944 -0.702 . . . . 41.46 110.15 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.38 -28.52 69.3 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 119.143 -1.023 . . . . 45.4 111.552 179.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -89.26 0.2 56.97 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 112.763 0.653 . . . . 48.82 112.763 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 54.78 43.72 29.61 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.933 0.873 . . . . 50.78 111.986 -179.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -109.91 136.22 49.54 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.665 -0.698 . . . . 62.97 110.226 176.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.8 mt 66.69 12.95 9.14 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 125.541 1.536 . . . . 44.71 112.238 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 86.3 m -73.07 141.93 47.59 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.652 0.739 . . . . 44.08 111.534 178.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -125.67 4.22 7.49 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.886 1.069 . . . . 50.14 113.886 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.8 p -143.81 135.41 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 119.068 0.849 . . . . 48.63 109.271 177.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.5 m -115.25 115.7 27.1 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.551 -0.907 . . . . 56.27 108.551 173.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.6 mt -89.63 112.97 24.35 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.587 -0.894 . . . . 52.28 108.587 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -94.95 110.1 22.03 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.636 -1.246 . . . . 76.0 107.636 174.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.7 t -105.41 111.66 35.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 108.042 -1.095 . . . . 60.74 108.042 -173.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' HD3' ' HB2' ' A' ' 90' ' ' ALA . 17.9 tptp -118.51 123.05 44.17 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.251 -1.018 . . . . 67.32 108.251 173.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -131.81 115.85 16.47 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.044 -1.095 . . . . 68.41 108.044 -176.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 43.15 -112.17 0.21 Allowed 'General case' 0 C--O 1.239 0.507 0 N-CA-C 114.018 1.118 . . . . 75.48 114.018 175.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -103.94 -5.21 22.47 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.214 0.82 . . . . 83.19 113.214 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.97 149.22 93.96 Favored Pre-proline 0 C--O 1.239 0.516 0 CA-C-N 118.217 0.462 . . . . 68.35 110.123 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -64.8 143.13 79.12 Favored 'Trans proline' 0 C--O 1.235 0.354 0 N-CA-C 109.907 -0.843 . . . . 54.25 109.907 178.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.417 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . . . -62.62 141.71 58.37 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.89 -0.724 . . . . 57.08 110.203 177.512 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.67 166.1 20.48 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.785 0.803 . . . . 53.35 109.98 174.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -132.56 139.5 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.869 1.268 . . . . 73.27 109.324 -175.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -135.24 122.54 21.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.514 -0.921 . . . . 52.19 108.514 174.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 93.2 mtp -90.74 147.4 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.604 -0.888 . . . . 62.65 108.604 173.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -161.72 178.64 8.8 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.003 -0.74 . . . . 41.65 109.003 -176.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -105.35 124.61 49.84 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.909 -0.587 . . . . 39.09 109.541 174.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.64 -39.33 67.87 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 123.492 0.495 . . . . 54.4 111.702 -177.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.1 p -68.87 -31.14 49.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 C-N-CA 118.983 -1.087 . . . . 38.03 110.779 -175.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.9 t -72.86 -47.58 48.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 C-N-CA 118.915 -1.114 . . . . 38.46 110.551 174.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.6 mt -54.39 -45.55 72.9 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 118.858 -1.137 . . . . 38.64 109.745 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.83 69.29 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 111.999 0.37 . . . . 41.68 111.999 -178.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.4 p -78.46 -12.59 60.02 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 112.957 0.725 . . . . 43.86 112.957 -175.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.7 m -118.51 -12.17 9.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 112.592 0.59 . . . . 51.05 112.592 -174.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 t -140.57 113.43 7.22 Favored Pre-proline 0 C--O 1.239 0.525 0 C-N-CA 124.229 1.012 . . . . 44.9 110.643 -177.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.84 -27.87 36.48 Favored 'Trans proline' 0 C--O 1.24 0.603 0 N-CA-C 114.066 0.756 . . . . 49.02 114.066 173.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.35 -40.07 42.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 121.274 0.559 . . . . 41.18 110.57 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -65.59 -39.05 91.16 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 118.673 -1.211 . . . . 44.6 111.4 173.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -56.3 -51.65 67.41 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.373 -0.531 . . . . 53.05 111.561 -179.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.03 86.59 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 122.065 -0.397 . . . . 47.37 111.589 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.3 ttm -54.81 -36.35 64.87 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 112.392 0.516 . . . . 64.05 112.392 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -99.13 -26.23 14.28 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 114.108 1.151 . . . . 54.17 114.108 -173.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.4 p -83.93 102.42 12.41 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.846 -1.168 . . . . 69.84 107.846 178.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.558 ' HB2' HD23 ' A' ' 115' ' ' LEU . 67.1 m-20 -133.51 163.35 29.59 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.949 1.299 . . . . 93.86 107.872 171.033 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -59.51 -23.44 58.23 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 120.315 -0.945 . . . . 104.02 113.806 -175.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -77.78 145.01 36.68 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.808 0.813 . . . . 103.36 111.617 -174.039 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -86.95 92.6 9.08 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 106.406 -1.701 . . . . 105.94 106.406 164.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.491 ' HG2' ' HG ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -63.66 140.06 58.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.606 -0.725 . . . . 106.33 109.811 178.091 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -97.07 96.4 8.44 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.585 -0.524 . . . . 106.35 109.585 -172.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.38 -114.88 3.99 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 115.784 1.074 . . . . 99.41 115.784 172.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 50.4 tpp -110.55 104.04 12.71 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.445 0.698 . . . . 75.9 111.767 -163.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -86.85 133.25 33.64 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.418 0.687 . . . . 73.28 110.001 176.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.6 t -94.88 135.71 28.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 108.653 -0.869 . . . . 61.88 108.653 169.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 56.1 t -125.08 122.88 64.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 N-CA-C 108.354 -0.98 . . . . 60.19 108.354 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.9 m -84.8 127.85 34.33 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.217 -0.66 . . . . 64.1 109.217 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.9 mt -116.97 124.42 72.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.381 -0.6 . . . . 56.3 109.381 -176.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -112.51 156.16 23.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.49 0.662 . . . . 82.71 109.871 -177.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 74.53 12.31 82.43 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.689 -1.244 . . . . 59.75 116.183 166.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.5 tt -135.78 139.16 46.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.28 -1.378 . . . . 58.0 107.28 171.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -70.68 146.35 93.49 Favored Pre-proline 0 C--O 1.237 0.42 0 C-N-CA 119.734 -0.786 . . . . 58.66 109.771 -178.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -47.27 -45.94 20.92 Favored 'Trans proline' 0 C--O 1.238 0.499 0 N-CA-C 115.35 1.25 . . . . 50.91 115.35 172.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -66.8 -28.91 68.76 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 118.41 -1.316 . . . . 85.73 111.928 -176.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 19.9 t -70.82 -51.35 36.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 119.417 -0.913 . . . . 53.64 110.076 178.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 6.7 tpt -49.29 -49.51 43.4 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 121.091 0.472 . . . . 66.45 111.331 173.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.12 -48.28 64.9 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.509 -0.476 . . . . 71.29 110.763 177.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -68.15 -29.67 68.62 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 119.223 -0.991 . . . . 97.31 111.816 -176.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 82.6 mt -73.35 -46.49 48.97 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.716 -0.393 . . . . 42.85 110.59 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 96.2 mt -52.22 -47.9 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 121.384 0.611 . . . . 42.9 110.699 171.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -59.03 -39.25 81.38 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.461 -0.895 . . . . 70.58 111.336 178.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -62.96 -44.75 95.19 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 119.383 -0.927 . . . . 46.01 110.314 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.55 66.87 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.518 -0.473 . . . . 43.84 111.697 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -97.55 -13.98 21.31 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.259 1.207 . . . . 45.35 114.259 -174.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 54.3 p -126.58 -13.63 5.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.376 1.25 . . . . 48.06 114.376 -172.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . 73.77 2.11 4.13 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 126.848 2.059 . . . . 51.62 113.031 -176.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 34.0 m -126.83 157.34 39.53 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.027 0.931 . . . . 52.36 109.888 -177.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 18.8 tt -148.87 144.79 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 107.625 -1.25 . . . . 64.83 107.625 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.4 t -140.53 144.63 36.04 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.928 -0.767 . . . . 82.2 108.928 -175.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -165.23 156.89 14.89 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.818 -0.628 . . . . 84.45 109.658 -173.742 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -81.27 154.56 35.11 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 120.537 -0.84 . . . . 80.57 111.869 173.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -55.86 -14.77 2.61 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.438 0.903 . . . . 88.02 113.438 -168.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -100.64 -9.34 22.0 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.775 0.657 . . . . 94.0 112.775 178.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' CYS . . . . . . . . . . . . . 15.8 m -81.89 -20.68 38.31 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 118.948 -0.549 . . . . 91.43 112.373 170.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.3 t -53.77 -30.63 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 112.539 0.57 . . . . 72.0 112.539 -170.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 20.0 tp -76.64 -44.7 32.97 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 118.592 -1.243 . . . . 59.58 111.526 -175.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -65.72 -28.74 69.27 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 122.047 -0.408 . . . . 76.44 111.934 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 44.6 t -72.43 -38.51 60.65 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 C-N-CA 119.834 -0.746 . . . . 57.9 110.004 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.0 ttp -63.44 -42.92 98.67 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 118.847 -1.141 . . . . 60.85 110.677 174.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -50.21 -53.01 31.04 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 120.739 0.304 . . . . 57.98 111.16 173.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.49 99.45 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 120.2 -1.0 . . . . 45.27 113.185 178.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.68 94.22 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 122.121 -0.635 . . . . 48.43 111.748 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.44 -43.64 98.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 119.109 -1.036 . . . . 44.37 110.155 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 16.1 ttt -63.07 -31.09 72.14 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.173 -0.611 . . . . 77.83 112.329 -177.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -107.54 13.89 26.33 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.545 -0.722 . . . . 51.47 112.372 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 50.84 47.55 24.44 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 122.325 1.059 . . . . 55.96 111.278 171.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 39.7 mt -91.54 82.61 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 N-CA-C 105.595 -2.002 . . . . 55.73 105.595 173.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -42.36 -52.09 4.68 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 125.394 1.478 . . . . 82.22 113.169 -175.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -40.76 82.84 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 116.239 -0.437 . . . . 58.51 111.445 -174.173 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 79.5 t -77.07 -38.46 27.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-O 120.961 0.41 . . . . 51.67 110.576 -174.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 53.3 t -54.97 -51.75 50.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.184 0.516 . . . . 53.53 110.08 174.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 9.9 ttm-85 -58.85 -35.24 72.61 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.837 -0.745 . . . . 79.8 111.571 -177.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -75.93 -44.71 38.83 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.407 -0.517 . . . . 56.35 111.839 -176.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 89.4 m -63.92 -31.52 72.74 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.065 -0.654 . . . . 66.12 111.693 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -67.71 -45.51 74.86 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.942 -0.303 . . . . 57.77 110.89 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -55.44 -42.34 74.07 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.258 -0.577 . . . . 81.24 111.576 176.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -66.55 -49.88 64.98 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.453 -0.499 . . . . 81.79 111.538 -176.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.38 -41.06 83.96 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.476 -0.489 . . . . 65.12 111.731 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 81.1 t -63.3 -38.21 81.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 O-C-N 122.011 -0.43 . . . . 66.44 111.144 177.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.4 -18.74 63.79 Favored 'General case' 0 C--N 1.343 0.289 0 O-C-N 121.656 -0.652 . . . . 88.19 112.632 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -76.94 27.48 0.14 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.498 0.59 . . . . 83.57 112.206 174.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 C--O 1.236 0.349 0 O-C-N 121.961 -0.462 . . . . 77.67 111.126 -172.424 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_