data_3rlz_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3rlz _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.353 0 N-CA-C 113.132 0.789 . . . . 53.340000000000003 113.132 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.5 p -72.19 164.95 25.34 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.866 0.729 . . . . 43.200000000000003 110.251 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -49.5 -48.67 47.86 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 114.116 1.154 . . . . 49.729999999999997 114.116 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -49.61 76.87 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.005 0.522 . . . . 37.659999999999997 110.637 176.788 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -56.4 -42.19 77.54 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.583 1.697 . . . . 34.810000000000002 115.583 172.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -59.95 -36.93 78.14 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.274 -0.892 . . . . 41.350000000000001 111.357 172.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.8 -43.84 64.98 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 109.036 -0.728 . . . . 35.689999999999998 109.036 -177.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.2 t -50.51 -51.85 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 CA-C-O 121.131 0.491 . . . . 33.609999999999999 111.952 172.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 m -71.28 -30.11 38.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 118.418 -1.313 . . . . 38.689999999999998 112.534 -176.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.75 85.63 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 123.912 0.758 . . . . 32.409999999999997 111.01 173.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.67 -40.33 79.12 Favored 'General case' 0 C--N 1.343 0.311 0 N-CA-C 112.547 0.573 . . . . 35.270000000000003 112.547 177.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.7 mt -73.6 -46.4 48.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 N-CA-C 108.603 -0.888 . . . . 35.109999999999999 108.603 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -51.12 -52.34 44.7 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.506 -0.77 . . . . 41.649999999999999 110.38 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.43 -41.94 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 121.85 0.833 . . . . 29.690000000000001 112.447 -172.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -54.8 -45.79 74.41 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.807 -0.757 . . . . 34.719999999999999 110.703 176.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -73.57 -29.2 62.27 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 114.397 1.258 . . . . 44.759999999999998 114.397 -177.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -57.65 -31.91 66.75 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-O 121.104 0.478 . . . . 41.689999999999998 111.558 171.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . 0.534 ' OH ' ' OE2' ' A' ' 39' ' ' GLU . 77.0 m-85 -98.45 -44.24 6.58 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.929 1.085 . . . . 33.18 113.929 178.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -62.54 -29.36 70.51 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.334 0.864 . . . . 34.009999999999998 113.334 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.33 -8.26 83.43 Favored Glycine 0 N--CA 1.479 1.552 0 N-CA-C 116.946 1.538 . . . . 33.920000000000002 116.946 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -64.97 -52.64 55.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.275 0.843 . . . . 36.579999999999998 113.275 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -143.72 155.09 44.08 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.522 0.934 . . . . 49.340000000000003 113.522 -172.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.05 -134.59 52.34 Favored Glycine 0 N--CA 1.462 0.369 0 N-CA-C 110.336 -1.106 . . . . 37.799999999999997 110.336 173.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -61.19 123.49 17.86 Favored 'General case' 0 C--O 1.253 1.253 0 N-CA-C 108.13 -1.063 . . . . 37.409999999999997 108.13 174.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -86.45 -5.0 59.26 Favored 'General case' 0 C--O 1.21 -0.999 0 C-N-CA 119.143 -1.023 . . . . 48.439999999999998 109.568 -167.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -109.03 0.5 20.0 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.05 0.94 . . . . 50.609999999999999 110.784 -173.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -135.5 153.44 51.74 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 123.54 0.525 . . . . 33.920000000000002 111.502 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.1 mt -94.34 121.0 35.42 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.571 -1.27 . . . . 31.460000000000001 107.571 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -81.77 171.82 14.09 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 124.031 0.832 . . . . 44.899999999999999 110.428 164.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -46.36 -53.03 11.68 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.234 1.198 . . . . 39.670000000000002 114.234 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.4 p -65.25 -38.58 90.79 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.174 -1.01 . . . . 32.399999999999999 112.863 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -60.69 -47.6 85.55 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.749 0.648 . . . . 31.059999999999999 112.749 173.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -46.79 88.78 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 108.907 -0.775 . . . . 32.939999999999998 108.907 178.264 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -52.65 -51.93 57.92 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 114.098 1.148 . . . . 39.350000000000001 114.098 175.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -64.96 -33.62 76.47 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.894 1.072 . . . . 37.490000000000002 113.894 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.9 -52.68 64.41 Favored 'General case' 0 C--O 1.245 0.829 0 O-C-N 122.167 -0.333 . . . . 29.719999999999999 111.179 175.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.2 mt -63.42 -48.75 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-O 120.908 0.385 . . . . 30.870000000000001 110.136 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.42 -43.11 99.44 Favored 'General case' 0 C--O 1.2 -1.522 0 N-CA-C 114.281 1.215 . . . . 34.789999999999999 114.281 179.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -86.71 -31.45 20.99 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.412 0.894 . . . . 29.949999999999999 113.412 -177.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . 0.534 ' OE2' ' OH ' ' A' ' 17' ' ' TYR . 40.0 mm-40 -113.67 -11.19 13.0 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 113.86 1.059 . . . . 35.159999999999997 113.86 -166.173 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -125.81 31.4 5.5 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.795 1.035 . . . . 33.200000000000003 113.795 177.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.9 p -66.53 -26.65 67.25 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 112.931 0.715 . . . . 35.170000000000002 112.931 -173.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -90.08 -10.08 46.08 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.596 0.961 . . . . 42.140000000000001 113.596 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -112.08 -37.1 5.16 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 120.987 -0.285 . . . . 40.590000000000003 111.58 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.31 146.69 44.15 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.806 0.812 . . . . 37.799999999999997 111.853 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -65.27 134.35 53.44 Favored 'General case' 0 C--O 1.25 1.109 0 CA-C-N 114.014 -1.448 . . . . 37.82 109.017 178.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -48.03 130.84 15.69 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.747 0.647 . . . . 46.5 112.747 173.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 99.1 mt -89.66 119.08 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 116.6 -0.273 . . . . 35.509999999999998 111.274 176.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . . . -129.4 10.35 5.71 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.607 0.763 . . . . 36.340000000000003 112.684 -177.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -132.82 146.23 51.65 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 106.173 -1.788 . . . . 38.729999999999997 106.173 -176.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -66.84 -35.74 80.73 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 118.652 -0.689 . . . . 34.68 112.477 175.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.71 -26.69 68.77 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 119.389 -0.924 . . . . 49.289999999999999 111.257 -177.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.5 t -79.89 -43.42 22.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.095 0 O-C-N 124.232 0.957 . . . . 31.710000000000001 108.917 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.21 -50.96 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 120.182 -0.607 . . . . 33.939999999999998 111.181 172.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -59.23 -44.13 92.34 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.088 -0.96 . . . . 33.439999999999998 110.615 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -66.17 -40.81 90.77 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.25 0.833 . . . . 40.469999999999999 113.25 -177.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -58.81 -55.06 25.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.578 -0.897 . . . . 35.829999999999998 108.578 175.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.9 tpp -53.88 -50.73 65.65 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.375 0.422 . . . . 33.630000000000003 111.912 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.65 -42.72 56.83 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 113.365 0.876 . . . . 47.090000000000003 113.365 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.6 m -69.94 -42.19 73.57 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.187 -0.915 . . . . 36.539999999999999 110.369 -177.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.46 -26.35 46.09 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 113.871 1.063 . . . . 39.170000000000002 113.871 -177.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -86.08 76.21 9.82 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.998 0.811 . . . . 35.829999999999998 108.938 -166.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 65.3 m -58.91 -36.95 75.55 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.66 -1.155 . . . . 40.119999999999997 113.849 -175.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 230' ' ' HOH . 41.8 p30 -93.03 0.97 57.48 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 114.644 1.35 . . . . 39.240000000000002 114.644 -176.01 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.07 19.25 73.67 Favored Glycine 0 C--O 1.226 -0.398 0 N-CA-C 117.86 1.904 . . . . 42.600000000000001 117.86 173.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -89.91 11.15 21.25 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 114.911 1.449 . . . . 40.020000000000003 114.911 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.93 -3.38 70.6 Favored Glycine 0 N--CA 1.473 1.108 0 N-CA-C 116.629 1.412 . . . . 39.369999999999997 116.629 176.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -129.34 165.93 20.5 Favored 'General case' 0 C--O 1.264 1.843 0 N-CA-C 107.53 -1.285 . . . . 43.340000000000003 107.53 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.5 t -109.31 109.15 19.97 Favored 'General case' 0 C--O 1.247 0.943 0 N-CA-C 108.307 -0.997 . . . . 30.66 108.307 176.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 p30 -77.88 179.86 6.45 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.827 1.047 . . . . 33.549999999999997 113.827 173.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -65.63 -38.93 90.79 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.981 1.474 . . . . 35.310000000000002 114.981 -175.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . . . -62.0 -38.22 87.78 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-O 121.229 0.537 . . . . 45.189999999999998 109.565 176.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -77.99 -31.73 50.84 Favored 'General case' 0 N--CA 1.437 -1.075 0 C-N-CA 119.295 -0.962 . . . . 34.07 108.719 -176.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -65.75 -41.85 91.65 Favored 'General case' 0 C--O 1.254 1.308 0 C-N-CA 119.226 -0.99 . . . . 29.489999999999998 111.798 175.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.2 mmm -55.89 -42.35 75.83 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.487 1.291 . . . . 46.149999999999999 114.487 172.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.57 -32.21 73.15 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.71 -1.219 . . . . 30.530000000000001 107.71 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -72.0 -43.6 64.81 Favored 'General case' 0 C--O 1.247 0.96 0 C-N-CA 119.793 -0.763 . . . . 34.289999999999999 108.945 -177.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.15 -42.44 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.229 -0.441 . . . . 32.009999999999998 110.043 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.29 97.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 120.75 -0.38 . . . . 31.780000000000001 111.599 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -37.64 88.26 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 118.927 -1.109 . . . . 56.43 110.928 179.949 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.7 mt -68.79 -48.06 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 122.048 -0.407 . . . . 38.210000000000001 111.181 178.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -60.78 -45.79 92.98 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.291 -0.413 . . . . 35.439999999999998 111.174 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.1 m -61.2 -37.52 83.26 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.662 0.986 . . . . 40.859999999999999 113.662 174.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.54 84.6 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 119.655 -0.818 . . . . 40.880000000000003 109.822 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.5 t -74.52 -40.12 61.96 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 107.408 -1.33 . . . . 44.609999999999999 107.408 -177.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -53.82 -53.36 53.47 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.044 1.127 . . . . 42.909999999999997 114.044 173.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.74 -29.99 69.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.714 -0.394 . . . . 54.210000000000001 110.769 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -54.07 -43.46 70.29 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.168 -1.049 . . . . 56.079999999999998 108.168 176.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PHE . . . . . 0.894 ' CE1' ' CE2' ' A' ' 88' ' ' PHE . 95.6 m-85 -98.72 77.19 2.24 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 115.451 -0.795 . . . . 56.700000000000003 111.197 176.15 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . 0.503 ' CA ' ' O ' ' A' ' 238' ' ' HOH . 1.2 pt-20 . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 113.509 0.929 . . . . 64.150000000000006 113.509 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 7.7 ptp . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 107.899 -1.149 . . . . 54.049999999999997 107.899 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 60.2 p -83.28 166.83 18.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.472 -0.936 . . . . 49.719999999999999 108.472 178.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.45 -34.15 76.23 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.461 -0.791 . . . . 54.259999999999998 110.476 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -47.76 70.86 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.586 -0.894 . . . . 33.039999999999999 108.586 179.275 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -66.95 -38.24 85.76 Favored 'General case' 0 C--O 1.252 1.217 0 CA-C-O 121.383 0.611 . . . . 36.390000000000001 111.139 -178.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . . . -56.45 -42.48 78.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.458 -0.792 . . . . 43.359999999999999 112.694 169.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.54 96.49 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.29 0.567 . . . . 36.140000000000001 110.181 -178.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.04 -48.07 87.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.56 -0.746 . . . . 32.829999999999998 110.02 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 m -68.4 -28.11 39.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 119.108 -1.037 . . . . 38.240000000000002 110.891 -177.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.88 75.22 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.815 0.697 . . . . 30.760000000000002 110.226 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 87.6 mt -56.33 -53.83 52.69 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.237 1.199 . . . . 32.310000000000002 114.237 173.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.9 mt -53.19 -53.18 24.37 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 CA-C-O 120.78 0.324 . . . . 35.609999999999999 111.608 169.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -52.58 -52.35 55.55 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 118.985 -1.086 . . . . 44.350000000000001 113.329 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.93 -39.47 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.498 -0.751 . . . . 30.170000000000002 110.465 -173.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.98 -41.7 96.96 Favored 'General case' 0 C--O 1.207 -1.182 0 C-N-CA 118.902 -1.119 . . . . 33.740000000000002 108.754 -179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -78.36 -29.75 47.66 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 117.61 -1.636 . . . . 48.200000000000003 114.218 -176.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -51.58 -49.92 61.17 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 107.801 -1.185 . . . . 44.93 107.801 171.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -80.19 -47.04 15.3 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 117.08 2.252 . . . . 30.890000000000001 117.08 -175.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 92.1 p -59.63 -32.36 70.36 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 121.376 0.608 . . . . 31.68 110.632 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.11 -3.11 89.52 Favored Glycine 0 N--CA 1.464 0.513 0 C-N-CA 119.499 -1.334 . . . . 34.649999999999999 114.696 -171.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -64.94 -43.09 93.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.45 0.908 . . . . 38.159999999999997 113.45 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -150.08 151.4 33.15 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.372 -0.603 . . . . 47.490000000000002 109.372 -168.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.92 -136.84 44.86 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 109.728 -1.349 . . . . 39.850000000000001 109.728 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -53.99 121.16 7.45 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 107.862 -1.162 . . . . 47.390000000000001 107.862 175.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . . . -81.48 -3.25 52.48 Favored 'General case' 0 N--CA 1.438 -1.061 0 O-C-N 123.695 0.622 . . . . 42.890000000000001 112.489 -176.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -112.17 2.48 16.71 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 114.216 1.191 . . . . 46.700000000000003 114.216 176.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . . . -124.89 152.92 43.41 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 121.496 -0.753 . . . . 37.939999999999998 110.571 172.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.6 mt -92.57 116.7 29.23 Favored 'General case' 0 N--CA 1.432 -1.348 0 CA-C-O 118.88 -0.581 . . . . 30.960000000000001 109.952 171.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -77.11 173.69 11.54 Favored 'General case' 0 C--O 1.247 0.95 0 N-CA-C 106.483 -1.673 . . . . 44.740000000000002 106.483 167.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -49.6 -49.63 45.9 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.81 1.411 . . . . 35.5 114.81 178.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -63.71 -41.69 98.05 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 119.431 -0.908 . . . . 34.049999999999997 110.457 -176.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -64.01 -43.08 96.75 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 113.068 0.766 . . . . 33.700000000000003 113.068 174.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -47.7 84.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 120.196 -0.602 . . . . 34.810000000000002 110.043 176.403 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -52.06 -46.58 65.19 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.976 0.732 . . . . 41.890000000000001 112.976 177.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -70.45 -30.1 66.85 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 119.837 -0.745 . . . . 39.030000000000001 110.957 -173.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 tt -67.2 -50.58 60.39 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.611 -0.885 . . . . 31.359999999999999 108.611 -177.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mt -60.01 -47.08 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 O-C-N 123.455 0.472 . . . . 29.149999999999999 110.97 175.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASN . . . . . 0.416 ' ND2' ' N ' ' B' ' 47' ' ' ILE . 2.5 m120 -66.98 -40.55 87.43 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.177 -0.609 . . . . 29.41 112.605 -174.542 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -85.15 -33.97 22.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.06 0.763 . . . . 30.649999999999999 113.06 -177.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -113.56 -13.06 12.8 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 119.929 -0.708 . . . . 38.049999999999997 112.786 -163.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -125.57 34.72 4.86 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 113.749 1.018 . . . . 29.98 113.749 -177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 49.8 p -70.35 -21.5 62.89 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.556 1.16 . . . . 33.880000000000003 111.633 -170.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -89.64 -15.75 32.02 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.514 0.561 . . . . 44.509999999999998 112.514 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -109.11 -29.87 8.33 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 114.853 1.427 . . . . 40.439999999999998 114.853 -173.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 89.1 mt -131.56 146.24 52.12 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 108.802 -0.814 . . . . 35.700000000000003 108.802 -175.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.61 138.61 57.58 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 106.104 -1.813 . . . . 49.030000000000001 106.104 -179.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -53.21 139.06 30.29 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.299 0.374 . . . . 41.969999999999999 110.932 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ILE . . . . . 0.416 ' N ' ' ND2' ' B' ' 37' ' ' ASN . 74.3 mt -92.41 120.42 41.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 113.052 0.76 . . . . 33.350000000000001 113.052 177.779 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -124.89 -6.48 7.33 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.434 0.901 . . . . 44.640000000000001 113.434 -175.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' B' ' 224' ' ' HOH . 5.9 mt-10 -119.2 140.3 50.42 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.319 -0.993 . . . . 53.0 108.319 -178.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -55.05 -37.59 66.92 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.984 0.914 . . . . 42.270000000000003 112.624 169.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -57.54 -41.58 81.23 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 119.932 -0.707 . . . . 42.850000000000001 111.62 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.3 t -70.96 -43.78 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 116.125 -0.488 . . . . 31.510000000000002 112.084 179.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -52.99 -48.58 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 116.099 -0.5 . . . . 32.799999999999997 110.195 172.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -61.64 -46.86 87.96 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.923 0.392 . . . . 33.460000000000001 111.471 -176.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LYS . . . . . 0.526 ' CE ' ' OE1' ' B' ' 58' ' ' GLU . 0.1 OUTLIER -66.92 -42.22 85.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.679 -0.691 . . . . 45.07 111.891 -177.882 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 95.8 t -56.79 -55.84 17.68 Favored 'Isoleucine or valine' 0 C--O 1.26 1.616 0 N-CA-C 108.323 -0.992 . . . . 33.229999999999997 108.323 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 63.6 tpp -53.28 -44.93 68.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 O-C-N 124.073 0.858 . . . . 32.939999999999998 111.647 177.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLU . . . . . 0.526 ' OE1' ' CE ' ' B' ' 55' ' ' LYS . 72.1 tt0 -55.69 -45.64 77.77 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.319 -0.552 . . . . 53.890000000000001 112.4 179.719 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.9 m -67.42 -42.39 83.31 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.867 0.867 . . . . 40.259999999999998 111.793 -178.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.7 mt -76.76 -19.22 57.87 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 117.536 2.421 . . . . 35.969999999999999 117.536 178.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -91.46 79.58 5.54 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.009 -1.108 . . . . 37.409999999999997 108.009 -168.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.7 m -59.97 -46.51 89.21 Favored 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 124.526 1.141 . . . . 43.049999999999997 112.783 -177.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -87.78 6.85 33.13 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.567 0.951 . . . . 43.68 113.567 -172.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.72 24.4 68.07 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 119.51 2.564 . . . . 44.420000000000002 119.51 175.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -96.24 12.48 30.82 Favored 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 113.473 0.916 . . . . 43.049999999999997 113.473 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.24 1.28 56.6 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 118.424 2.129 . . . . 39.950000000000003 118.424 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -125.18 166.03 17.18 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 106.691 -1.596 . . . . 42.590000000000003 106.691 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 51.8 t -108.09 112.51 25.09 Favored 'General case' 0 C--O 1.252 1.211 0 N-CA-C 108.611 -0.885 . . . . 32.350000000000001 108.611 172.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 32.8 p30 -84.18 -176.43 6.26 Favored 'General case' 0 C--O 1.262 1.731 0 N-CA-C 113.041 0.756 . . . . 32.799999999999997 113.041 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -66.77 -39.01 87.69 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 118.902 -1.119 . . . . 41.460000000000001 110.267 -171.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.89 -46.87 87.52 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 123.677 0.611 . . . . 50.579999999999998 109.433 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -66.15 -35.32 80.18 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.658 -0.701 . . . . 32.07 110.176 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.35 -41.31 96.81 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.898 -0.321 . . . . 32.189999999999998 110.288 174.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 87.1 mmm -62.89 -38.72 92.04 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.261 -0.575 . . . . 42.5 111.149 -179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.6 74.25 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.408 0.683 . . . . 31.010000000000002 111.507 173.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -70.89 -43.74 67.75 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.436 -0.949 . . . . 34.57 108.436 -178.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.8 -44.22 85.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.499 -0.773 . . . . 29.460000000000001 110.572 174.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.6 83.53 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 119.81 -0.756 . . . . 32.310000000000002 111.188 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 36.7 mtt -58.58 -49.75 76.31 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.999 0.904 . . . . 50.969999999999999 112.229 178.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.4 mt -65.0 -42.86 95.84 Favored 'Isoleucine or valine' 0 C--O 1.267 2.018 0 CA-C-N 115.816 -0.629 . . . . 34.799999999999997 110.224 -179.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.6 m -63.59 -40.78 97.81 Favored 'General case' 0 C--O 1.261 1.676 0 CA-C-O 121.362 0.601 . . . . 33.509999999999998 110.172 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.1 m -66.0 -41.91 90.44 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.288 -0.869 . . . . 39.079999999999998 112.136 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.4 74.42 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.026 0.441 . . . . 42.219999999999999 111.219 171.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 70.5 m -70.96 -35.85 72.32 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.904 0.705 . . . . 49.869999999999997 112.904 -177.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -69.04 -37.75 78.75 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 114.978 -1.01 . . . . 53.890000000000001 112.151 -179.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -80.72 -7.49 59.36 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 116.472 2.027 . . . . 53.420000000000002 116.472 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . . . -58.96 -18.92 38.25 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 112.838 0.681 . . . . 62.109999999999999 112.838 163.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -124.76 173.53 8.51 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.814 0.846 . . . . 62.549999999999997 112.903 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLU . . . . . 0.582 ' CG ' ' O ' ' B' ' 244' ' ' HOH . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 C-N-CA 125.216 1.406 . . . . 65.700000000000003 112.342 165.981 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . 0.423 ' O ' ' O ' ' A' ' 63' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . 0.503 ' O ' ' CA ' ' A' ' 89' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . 0.52 ' O ' ' CG ' ' B' ' 49' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 244' ' ' HOH . . . . . 0.582 ' O ' ' CG ' ' B' ' 89' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.353 0 N-CA-C 113.132 0.789 . . . . 53.34 113.132 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.5 p -72.19 164.95 25.34 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.866 0.729 . . . . 43.2 110.251 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -49.5 -48.67 47.86 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 114.116 1.154 . . . . 49.73 114.116 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -49.61 76.87 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.005 0.522 . . . . 37.66 110.637 176.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -56.4 -42.19 77.54 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.583 1.697 . . . . 34.81 115.583 172.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -59.95 -36.93 78.14 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.274 -0.892 . . . . 41.35 111.357 172.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.8 -43.84 64.98 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 109.036 -0.728 . . . . 35.69 109.036 -177.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.2 t -50.51 -51.85 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 CA-C-O 121.131 0.491 . . . . 33.61 111.952 172.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 m -71.28 -30.11 38.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 118.418 -1.313 . . . . 38.69 112.534 -176.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.75 85.63 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 123.912 0.758 . . . . 32.41 111.01 173.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.67 -40.33 79.12 Favored 'General case' 0 C--N 1.343 0.311 0 N-CA-C 112.547 0.573 . . . . 35.27 112.547 177.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.7 mt -73.6 -46.4 48.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 N-CA-C 108.603 -0.888 . . . . 35.11 108.603 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -51.12 -52.34 44.7 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.506 -0.77 . . . . 41.65 110.38 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.43 -41.94 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 121.85 0.833 . . . . 29.69 112.447 -172.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -54.8 -45.79 74.41 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.807 -0.757 . . . . 34.72 110.703 176.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -73.57 -29.2 62.27 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 114.397 1.258 . . . . 44.76 114.397 -177.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -57.65 -31.91 66.75 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-O 121.104 0.478 . . . . 41.69 111.558 171.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -98.45 -44.24 6.58 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.929 1.085 . . . . 33.18 113.929 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -62.54 -29.36 70.51 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.334 0.864 . . . . 34.01 113.334 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.33 -8.26 83.43 Favored Glycine 0 N--CA 1.479 1.552 0 N-CA-C 116.946 1.538 . . . . 33.92 116.946 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -64.97 -52.64 55.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.275 0.843 . . . . 36.58 113.275 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -143.72 155.09 44.08 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.522 0.934 . . . . 49.34 113.522 -172.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 208' ' ' HOH . . . 59.05 -134.59 52.34 Favored Glycine 0 N--CA 1.462 0.369 0 N-CA-C 110.336 -1.106 . . . . 37.8 110.336 173.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -61.19 123.49 17.86 Favored 'General case' 0 C--O 1.253 1.253 0 N-CA-C 108.13 -1.063 . . . . 37.41 108.13 174.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -86.45 -5.0 59.26 Favored 'General case' 0 C--O 1.21 -0.999 0 C-N-CA 119.143 -1.023 . . . . 48.44 109.568 -167.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -109.03 0.5 20.0 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.05 0.94 . . . . 50.61 110.784 -173.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -135.5 153.44 51.74 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 123.54 0.525 . . . . 33.92 111.502 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.1 mt -94.34 121.0 35.42 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.571 -1.27 . . . . 31.46 107.571 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -81.77 171.82 14.09 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 124.031 0.832 . . . . 44.9 110.428 164.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -46.36 -53.03 11.68 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.234 1.198 . . . . 39.67 114.234 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.4 p -65.25 -38.58 90.79 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.174 -1.01 . . . . 32.4 112.863 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -60.69 -47.6 85.55 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.749 0.648 . . . . 31.06 112.749 173.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -46.79 88.78 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 108.907 -0.775 . . . . 32.94 108.907 178.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -52.65 -51.93 57.92 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 114.098 1.148 . . . . 39.35 114.098 175.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -64.96 -33.62 76.47 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.894 1.072 . . . . 37.49 113.894 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.9 -52.68 64.41 Favored 'General case' 0 C--O 1.245 0.829 0 O-C-N 122.167 -0.333 . . . . 29.72 111.179 175.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.2 mt -63.42 -48.75 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-O 120.908 0.385 . . . . 30.87 110.136 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -61.42 -43.11 99.44 Favored 'General case' 0 C--O 1.2 -1.522 0 N-CA-C 114.281 1.215 . . . . 34.79 114.281 179.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -86.71 -31.45 20.99 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.412 0.894 . . . . 29.95 113.412 -177.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -113.67 -11.19 13.0 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 113.86 1.059 . . . . 35.16 113.86 -166.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -125.81 31.4 5.5 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.795 1.035 . . . . 33.2 113.795 177.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.9 p -66.53 -26.65 67.25 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 112.931 0.715 . . . . 35.17 112.931 -173.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -90.08 -10.08 46.08 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.596 0.961 . . . . 42.14 113.596 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -112.08 -37.1 5.16 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 120.987 -0.285 . . . . 40.59 111.58 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.31 146.69 44.15 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.806 0.812 . . . . 37.8 111.853 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -65.27 134.35 53.44 Favored 'General case' 0 C--O 1.25 1.109 0 CA-C-N 114.014 -1.448 . . . . 37.82 109.017 178.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -48.03 130.84 15.69 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.747 0.647 . . . . 46.5 112.747 173.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 99.1 mt -89.66 119.08 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 116.6 -0.273 . . . . 35.51 111.274 176.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . . . -129.4 10.35 5.71 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.607 0.763 . . . . 36.34 112.684 -177.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -132.82 146.23 51.65 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 106.173 -1.788 . . . . 38.73 106.173 -176.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -66.84 -35.74 80.73 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 118.652 -0.689 . . . . 34.68 112.477 175.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.71 -26.69 68.77 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 119.389 -0.924 . . . . 49.29 111.257 -177.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.5 t -79.89 -43.42 22.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.095 0 O-C-N 124.232 0.957 . . . . 31.71 108.917 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.21 -50.96 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 120.182 -0.607 . . . . 33.94 111.181 172.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -59.23 -44.13 92.34 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.088 -0.96 . . . . 33.44 110.615 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -66.17 -40.81 90.77 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.25 0.833 . . . . 40.47 113.25 -177.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -58.81 -55.06 25.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.578 -0.897 . . . . 35.83 108.578 175.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.9 tpp -53.88 -50.73 65.65 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.375 0.422 . . . . 33.63 111.912 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.65 -42.72 56.83 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 113.365 0.876 . . . . 47.09 113.365 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.6 m -69.94 -42.19 73.57 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.187 -0.915 . . . . 36.54 110.369 -177.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.46 -26.35 46.09 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 113.871 1.063 . . . . 39.17 113.871 -177.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -86.08 76.21 9.82 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.998 0.811 . . . . 35.83 108.938 -166.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 65.3 m -58.91 -36.95 75.55 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.66 -1.155 . . . . 40.12 113.849 -175.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 230' ' ' HOH . 41.8 p30 -93.03 0.97 57.48 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 114.644 1.35 . . . . 39.24 114.644 -176.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.07 19.25 73.67 Favored Glycine 0 C--O 1.226 -0.398 0 N-CA-C 117.86 1.904 . . . . 42.6 117.86 173.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -89.91 11.15 21.25 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 114.911 1.449 . . . . 40.02 114.911 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.93 -3.38 70.6 Favored Glycine 0 N--CA 1.473 1.108 0 N-CA-C 116.629 1.412 . . . . 39.37 116.629 176.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -129.34 165.93 20.5 Favored 'General case' 0 C--O 1.264 1.843 0 N-CA-C 107.53 -1.285 . . . . 43.34 107.53 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.5 t -109.31 109.15 19.97 Favored 'General case' 0 C--O 1.247 0.943 0 N-CA-C 108.307 -0.997 . . . . 30.66 108.307 176.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 p30 -77.88 179.86 6.45 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.827 1.047 . . . . 33.55 113.827 173.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -65.63 -38.93 90.79 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.981 1.474 . . . . 35.31 114.981 -175.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . . . -62.0 -38.22 87.78 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-O 121.229 0.537 . . . . 45.19 109.565 176.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -77.99 -31.73 50.84 Favored 'General case' 0 N--CA 1.437 -1.075 0 C-N-CA 119.295 -0.962 . . . . 34.07 108.719 -176.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -65.75 -41.85 91.65 Favored 'General case' 0 C--O 1.254 1.308 0 C-N-CA 119.226 -0.99 . . . . 29.49 111.798 175.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.2 mmm -55.89 -42.35 75.83 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.487 1.291 . . . . 46.15 114.487 172.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.57 -32.21 73.15 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.71 -1.219 . . . . 30.53 107.71 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' A' ' 80' ' ' ILE . 24.7 t80 -72.0 -43.6 64.81 Favored 'General case' 0 C--O 1.247 0.96 0 C-N-CA 119.793 -0.763 . . . . 34.29 108.945 -177.897 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.15 -42.44 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.229 -0.441 . . . . 32.01 110.043 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.29 97.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 120.75 -0.38 . . . . 31.78 111.599 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -37.64 88.26 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 118.927 -1.109 . . . . 56.43 110.928 179.949 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . 0.449 HD11 ' CZ ' ' A' ' 76' ' ' PHE . 69.7 mt -68.79 -48.06 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 122.048 -0.407 . . . . 38.21 111.181 178.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -60.78 -45.79 92.98 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.291 -0.413 . . . . 35.44 111.174 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.1 m -61.2 -37.52 83.26 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.662 0.986 . . . . 40.86 113.662 174.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.54 84.6 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 119.655 -0.818 . . . . 40.88 109.822 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.5 t -74.52 -40.12 61.96 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 107.408 -1.33 . . . . 44.61 107.408 -177.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -53.82 -53.36 53.47 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.044 1.127 . . . . 42.91 114.044 173.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.74 -29.99 69.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.714 -0.394 . . . . 54.21 110.769 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -54.07 -43.46 70.29 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.168 -1.049 . . . . 56.08 108.168 176.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PHE . . . . . 0.894 ' CE1' ' CE2' ' A' ' 88' ' ' PHE . 95.6 m-85 -98.72 77.19 2.24 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 115.451 -0.795 . . . . 56.7 111.197 176.15 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . 0.881 ' HA ' ' O ' ' A' ' 238' ' ' HOH . 1.2 pt-20 . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 113.509 0.929 . . . . 64.15 113.509 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 0' ' ' MET . . . . . 0.788 ' HG3' ' HG3' ' B' ' 5' ' ' LYS . 7.7 ptp . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 107.899 -1.149 . . . . 54.05 107.899 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 60.2 p -83.28 166.83 18.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.472 -0.936 . . . . 49.72 108.472 178.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.45 -34.15 76.23 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.461 -0.791 . . . . 54.26 110.476 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -47.76 70.86 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.586 -0.894 . . . . 33.04 108.586 179.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLU . . . . . 0.456 ' O ' HG13 ' B' ' 8' ' ' VAL . 87.0 mt-10 -66.95 -38.24 85.76 Favored 'General case' 0 C--O 1.252 1.217 0 CA-C-O 121.383 0.611 . . . . 36.39 111.139 -178.695 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LYS . . . . . 0.788 ' HG3' ' HG3' ' B' ' 0' ' ' MET . . . -56.45 -42.48 78.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.458 -0.792 . . . . 43.36 112.694 169.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.54 96.49 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.29 0.567 . . . . 36.14 110.181 -178.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.04 -48.07 87.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.56 -0.746 . . . . 32.83 110.02 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' VAL . . . . . 0.456 HG13 ' O ' ' B' ' 4' ' ' GLU . 2.2 m -68.4 -28.11 39.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 119.108 -1.037 . . . . 38.24 110.891 -177.605 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.88 75.22 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.815 0.697 . . . . 30.76 110.226 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 87.6 mt -56.33 -53.83 52.69 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.237 1.199 . . . . 32.31 114.237 173.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.9 mt -53.19 -53.18 24.37 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 CA-C-O 120.78 0.324 . . . . 35.61 111.608 169.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -52.58 -52.35 55.55 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 118.985 -1.086 . . . . 44.35 113.329 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.93 -39.47 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.498 -0.751 . . . . 30.17 110.465 -173.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.98 -41.7 96.96 Favored 'General case' 0 C--O 1.207 -1.182 0 C-N-CA 118.902 -1.119 . . . . 33.74 108.754 -179.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -78.36 -29.75 47.66 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 117.61 -1.636 . . . . 48.2 114.218 -176.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -51.58 -49.92 61.17 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 107.801 -1.185 . . . . 44.93 107.801 171.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -80.19 -47.04 15.3 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 117.08 2.252 . . . . 30.89 117.08 -175.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 92.1 p -59.63 -32.36 70.36 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 121.376 0.608 . . . . 31.68 110.632 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.11 -3.11 89.52 Favored Glycine 0 N--CA 1.464 0.513 0 C-N-CA 119.499 -1.334 . . . . 34.65 114.696 -171.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -64.94 -43.09 93.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.45 0.908 . . . . 38.16 113.45 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -150.08 151.4 33.15 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.372 -0.603 . . . . 47.49 109.372 -168.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.92 -136.84 44.86 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 109.728 -1.349 . . . . 39.85 109.728 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -53.99 121.16 7.45 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 107.862 -1.162 . . . . 47.39 107.862 175.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . . . -81.48 -3.25 52.48 Favored 'General case' 0 N--CA 1.438 -1.061 0 O-C-N 123.695 0.622 . . . . 42.89 112.489 -176.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -112.17 2.48 16.71 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 114.216 1.191 . . . . 46.7 114.216 176.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . . . -124.89 152.92 43.41 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 121.496 -0.753 . . . . 37.94 110.571 172.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.6 mt -92.57 116.7 29.23 Favored 'General case' 0 N--CA 1.432 -1.348 0 CA-C-O 118.88 -0.581 . . . . 30.96 109.952 171.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -77.11 173.69 11.54 Favored 'General case' 0 C--O 1.247 0.95 0 N-CA-C 106.483 -1.673 . . . . 44.74 106.483 167.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -49.6 -49.63 45.9 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.81 1.411 . . . . 35.5 114.81 178.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -63.71 -41.69 98.05 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 119.431 -0.908 . . . . 34.05 110.457 -176.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -64.01 -43.08 96.75 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 113.068 0.766 . . . . 33.7 113.068 174.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -47.7 84.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 120.196 -0.602 . . . . 34.81 110.043 176.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -52.06 -46.58 65.19 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.976 0.732 . . . . 41.89 112.976 177.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -70.45 -30.1 66.85 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 119.837 -0.745 . . . . 39.03 110.957 -173.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 tt -67.2 -50.58 60.39 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.611 -0.885 . . . . 31.36 108.611 -177.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mt -60.01 -47.08 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 O-C-N 123.455 0.472 . . . . 29.15 110.97 175.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -66.98 -40.55 87.43 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.177 -0.609 . . . . 29.41 112.605 -174.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -85.15 -33.97 22.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.06 0.763 . . . . 30.65 113.06 -177.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -113.56 -13.06 12.8 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 119.929 -0.708 . . . . 38.05 112.786 -163.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -125.57 34.72 4.86 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 113.749 1.018 . . . . 29.98 113.749 -177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 49.8 p -70.35 -21.5 62.89 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.556 1.16 . . . . 33.88 111.633 -170.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -89.64 -15.75 32.02 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.514 0.561 . . . . 44.51 112.514 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -109.11 -29.87 8.33 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 114.853 1.427 . . . . 40.44 114.853 -173.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 89.1 mt -131.56 146.24 52.12 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 108.802 -0.814 . . . . 35.7 108.802 -175.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.61 138.61 57.58 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 106.104 -1.813 . . . . 49.03 106.104 -179.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -53.21 139.06 30.29 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.299 0.374 . . . . 41.97 110.932 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 74.3 mt -92.41 120.42 41.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 113.052 0.76 . . . . 33.35 113.052 177.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -124.89 -6.48 7.33 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.434 0.901 . . . . 44.64 113.434 -175.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLU . . . . . 0.73 ' HG3' ' O ' ' B' ' 224' ' ' HOH . 5.9 mt-10 -119.2 140.3 50.42 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.319 -0.993 . . . . 53.0 108.319 -178.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -55.05 -37.59 66.92 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.984 0.914 . . . . 42.27 112.624 169.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -57.54 -41.58 81.23 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 119.932 -0.707 . . . . 42.85 111.62 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . 0.43 ' O ' HG23 ' B' ' 56' ' ' VAL . 76.3 t -70.96 -43.78 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 116.125 -0.488 . . . . 31.51 112.084 179.565 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -52.99 -48.58 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 116.099 -0.5 . . . . 32.8 110.195 172.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -61.64 -46.86 87.96 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.923 0.392 . . . . 33.46 111.471 -176.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LYS . . . . . 0.658 ' HE3' ' OE1' ' B' ' 58' ' ' GLU . 0.1 OUTLIER -66.92 -42.22 85.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.679 -0.691 . . . . 45.07 111.891 -177.882 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 56' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 52' ' ' VAL . 95.8 t -56.79 -55.84 17.68 Favored 'Isoleucine or valine' 0 C--O 1.26 1.616 0 N-CA-C 108.323 -0.992 . . . . 33.23 108.323 176.1 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 63.6 tpp -53.28 -44.93 68.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 O-C-N 124.073 0.858 . . . . 32.94 111.647 177.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLU . . . . . 0.658 ' OE1' ' HE3' ' B' ' 55' ' ' LYS . 72.1 tt0 -55.69 -45.64 77.77 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.319 -0.552 . . . . 53.89 112.4 179.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.9 m -67.42 -42.39 83.31 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.867 0.867 . . . . 40.26 111.793 -178.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.7 mt -76.76 -19.22 57.87 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 117.536 2.421 . . . . 35.97 117.536 178.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -91.46 79.58 5.54 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.009 -1.108 . . . . 37.41 108.009 -168.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.7 m -59.97 -46.51 89.21 Favored 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 124.526 1.141 . . . . 43.05 112.783 -177.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -87.78 6.85 33.13 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.567 0.951 . . . . 43.68 113.567 -172.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.72 24.4 68.07 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 119.51 2.564 . . . . 44.42 119.51 175.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -96.24 12.48 30.82 Favored 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 113.473 0.916 . . . . 43.05 113.473 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.24 1.28 56.6 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 118.424 2.129 . . . . 39.95 118.424 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -125.18 166.03 17.18 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 106.691 -1.596 . . . . 42.59 106.691 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 51.8 t -108.09 112.51 25.09 Favored 'General case' 0 C--O 1.252 1.211 0 N-CA-C 108.611 -0.885 . . . . 32.35 108.611 172.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 32.8 p30 -84.18 -176.43 6.26 Favored 'General case' 0 C--O 1.262 1.731 0 N-CA-C 113.041 0.756 . . . . 32.8 113.041 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -66.77 -39.01 87.69 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 118.902 -1.119 . . . . 41.46 110.267 -171.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -61.89 -46.87 87.52 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 123.677 0.611 . . . . 50.58 109.433 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -66.15 -35.32 80.18 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.658 -0.701 . . . . 32.07 110.176 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.35 -41.31 96.81 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.898 -0.321 . . . . 32.19 110.288 174.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 87.1 mmm -62.89 -38.72 92.04 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.261 -0.575 . . . . 42.5 111.149 -179.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.6 74.25 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.408 0.683 . . . . 31.01 111.507 173.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -70.89 -43.74 67.75 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.436 -0.949 . . . . 34.57 108.436 -178.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.8 -44.22 85.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.499 -0.773 . . . . 29.46 110.572 174.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.6 83.53 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 119.81 -0.756 . . . . 32.31 111.188 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 36.7 mtt -58.58 -49.75 76.31 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.999 0.904 . . . . 50.97 112.229 178.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.4 mt -65.0 -42.86 95.84 Favored 'Isoleucine or valine' 0 C--O 1.267 2.018 0 CA-C-N 115.816 -0.629 . . . . 34.8 110.224 -179.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.6 m -63.59 -40.78 97.81 Favored 'General case' 0 C--O 1.261 1.676 0 CA-C-O 121.362 0.601 . . . . 33.51 110.172 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.1 m -66.0 -41.91 90.44 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.288 -0.869 . . . . 39.08 112.136 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.4 74.42 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.026 0.441 . . . . 42.22 111.219 171.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 70.5 m -70.96 -35.85 72.32 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.904 0.705 . . . . 49.87 112.904 -177.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -69.04 -37.75 78.75 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 114.978 -1.01 . . . . 53.89 112.151 -179.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -80.72 -7.49 59.36 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 116.472 2.027 . . . . 53.42 116.472 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . . . -58.96 -18.92 38.25 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 112.838 0.681 . . . . 62.11 112.838 163.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' PHE . . . . . 0.58 ' O ' ' HB2' ' B' ' 89' ' ' GLU . 3.5 m-85 -124.76 173.53 8.51 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.814 0.846 . . . . 62.55 112.903 177.416 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLU . . . . . 1.04 ' HG3' ' O ' ' B' ' 244' ' ' HOH . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 C-N-CA 125.216 1.406 . . . . 65.7 112.342 165.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.409 ' O ' ' HA3' ' A' ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . 0.423 ' O ' ' O ' ' A' ' 63' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . 0.881 ' O ' ' HA ' ' A' ' 89' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . 0.73 ' O ' ' HG3' ' B' ' 49' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 244' ' ' HOH . . . . . 1.04 ' O ' ' HG3' ' B' ' 89' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.353 0 N-CA-C 113.132 0.789 . . . . 53.34 113.132 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.5 p -72.19 164.95 25.34 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.866 0.729 . . . . 43.2 110.251 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -49.5 -48.67 47.86 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 114.116 1.154 . . . . 49.73 114.116 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -49.61 76.87 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.005 0.522 . . . . 37.66 110.637 176.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -56.4 -42.19 77.54 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.583 1.697 . . . . 34.81 115.583 172.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -59.95 -36.93 78.14 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.274 -0.892 . . . . 41.35 111.357 172.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.8 -43.84 64.98 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 109.036 -0.728 . . . . 35.69 109.036 -177.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.2 t -50.51 -51.85 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 CA-C-O 121.131 0.491 . . . . 33.61 111.952 172.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 m -71.28 -30.11 38.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 118.418 -1.313 . . . . 38.69 112.534 -176.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.75 85.63 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 123.912 0.758 . . . . 32.41 111.01 173.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.67 -40.33 79.12 Favored 'General case' 0 C--N 1.343 0.311 0 N-CA-C 112.547 0.573 . . . . 35.27 112.547 177.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.7 mt -73.6 -46.4 48.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 N-CA-C 108.603 -0.888 . . . . 35.11 108.603 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -51.12 -52.34 44.7 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.506 -0.77 . . . . 41.65 110.38 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.43 -41.94 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 121.85 0.833 . . . . 29.69 112.447 -172.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -54.8 -45.79 74.41 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.807 -0.757 . . . . 34.72 110.703 176.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -73.57 -29.2 62.27 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 114.397 1.258 . . . . 44.76 114.397 -177.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -57.65 -31.91 66.75 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-O 121.104 0.478 . . . . 41.69 111.558 171.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -98.45 -44.24 6.58 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.929 1.085 . . . . 33.18 113.929 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -62.54 -29.36 70.51 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.334 0.864 . . . . 34.01 113.334 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.33 -8.26 83.43 Favored Glycine 0 N--CA 1.479 1.552 0 N-CA-C 116.946 1.538 . . . . 33.92 116.946 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -64.97 -52.64 55.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.275 0.843 . . . . 36.58 113.275 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -143.72 155.09 44.08 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.522 0.934 . . . . 49.34 113.522 -172.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 208' ' ' HOH . . . 59.05 -134.59 52.34 Favored Glycine 0 N--CA 1.462 0.369 0 N-CA-C 110.336 -1.106 . . . . 37.8 110.336 173.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -61.19 123.49 17.86 Favored 'General case' 0 C--O 1.253 1.253 0 N-CA-C 108.13 -1.063 . . . . 37.41 108.13 174.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -86.45 -5.0 59.26 Favored 'General case' 0 C--O 1.21 -0.999 0 C-N-CA 119.143 -1.023 . . . . 48.44 109.568 -167.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -109.03 0.5 20.0 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.05 0.94 . . . . 50.61 110.784 -173.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -135.5 153.44 51.74 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 123.54 0.525 . . . . 33.92 111.502 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.1 mt -94.34 121.0 35.42 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.571 -1.27 . . . . 31.46 107.571 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -81.77 171.82 14.09 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 124.031 0.832 . . . . 44.9 110.428 164.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -46.36 -53.03 11.68 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.234 1.198 . . . . 39.67 114.234 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.4 p -65.25 -38.58 90.79 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.174 -1.01 . . . . 32.4 112.863 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -60.69 -47.6 85.55 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.749 0.648 . . . . 31.06 112.749 173.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -46.79 88.78 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 108.907 -0.775 . . . . 32.94 108.907 178.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -52.65 -51.93 57.92 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 114.098 1.148 . . . . 39.35 114.098 175.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -64.96 -33.62 76.47 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.894 1.072 . . . . 37.49 113.894 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.9 -52.68 64.41 Favored 'General case' 0 C--O 1.245 0.829 0 O-C-N 122.167 -0.333 . . . . 29.72 111.179 175.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.2 mt -63.42 -48.75 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-O 120.908 0.385 . . . . 30.87 110.136 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.858 HD21 ' H ' ' A' ' 47' ' ' ILE . 5.4 m120 -61.42 -43.11 99.44 Favored 'General case' 0 C--O 1.2 -1.522 0 N-CA-C 114.281 1.215 . . . . 34.79 114.281 179.262 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -86.71 -31.45 20.99 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.412 0.894 . . . . 29.95 113.412 -177.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -113.67 -11.19 13.0 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 113.86 1.059 . . . . 35.16 113.86 -166.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -125.81 31.4 5.5 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.795 1.035 . . . . 33.2 113.795 177.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.9 p -66.53 -26.65 67.25 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 112.931 0.715 . . . . 35.17 112.931 -173.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -90.08 -10.08 46.08 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.596 0.961 . . . . 42.14 113.596 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -112.08 -37.1 5.16 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 120.987 -0.285 . . . . 40.59 111.58 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.31 146.69 44.15 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.806 0.812 . . . . 37.8 111.853 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -65.27 134.35 53.44 Favored 'General case' 0 C--O 1.25 1.109 0 CA-C-N 114.014 -1.448 . . . . 37.82 109.017 178.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -48.03 130.84 15.69 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.747 0.647 . . . . 46.5 112.747 173.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.858 ' H ' HD21 ' A' ' 37' ' ' ASN . 99.1 mt -89.66 119.08 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 116.6 -0.273 . . . . 35.51 111.274 176.213 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . . . -129.4 10.35 5.71 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.607 0.763 . . . . 36.34 112.684 -177.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -132.82 146.23 51.65 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 106.173 -1.788 . . . . 38.73 106.173 -176.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -66.84 -35.74 80.73 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 118.652 -0.689 . . . . 34.68 112.477 175.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.71 -26.69 68.77 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 119.389 -0.924 . . . . 49.29 111.257 -177.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.5 t -79.89 -43.42 22.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.095 0 O-C-N 124.232 0.957 . . . . 31.71 108.917 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.21 -50.96 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 120.182 -0.607 . . . . 33.94 111.181 172.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -59.23 -44.13 92.34 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.088 -0.96 . . . . 33.44 110.615 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -66.17 -40.81 90.77 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.25 0.833 . . . . 40.47 113.25 -177.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -58.81 -55.06 25.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.578 -0.897 . . . . 35.83 108.578 175.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.9 tpp -53.88 -50.73 65.65 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.375 0.422 . . . . 33.63 111.912 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.65 -42.72 56.83 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 113.365 0.876 . . . . 47.09 113.365 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.6 m -69.94 -42.19 73.57 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.187 -0.915 . . . . 36.54 110.369 -177.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.46 -26.35 46.09 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 113.871 1.063 . . . . 39.17 113.871 -177.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -86.08 76.21 9.82 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.998 0.811 . . . . 35.83 108.938 -166.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 65.3 m -58.91 -36.95 75.55 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 114.66 -1.155 . . . . 40.12 113.849 -175.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 230' ' ' HOH . 41.8 p30 -93.03 0.97 57.48 Favored 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 114.644 1.35 . . . . 39.24 114.644 -176.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.07 19.25 73.67 Favored Glycine 0 C--O 1.226 -0.398 0 N-CA-C 117.86 1.904 . . . . 42.6 117.86 173.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -89.91 11.15 21.25 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 114.911 1.449 . . . . 40.02 114.911 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.93 -3.38 70.6 Favored Glycine 0 N--CA 1.473 1.108 0 N-CA-C 116.629 1.412 . . . . 39.37 116.629 176.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -129.34 165.93 20.5 Favored 'General case' 0 C--O 1.264 1.843 0 N-CA-C 107.53 -1.285 . . . . 43.34 107.53 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.5 t -109.31 109.15 19.97 Favored 'General case' 0 C--O 1.247 0.943 0 N-CA-C 108.307 -0.997 . . . . 30.66 108.307 176.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 p30 -77.88 179.86 6.45 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.827 1.047 . . . . 33.55 113.827 173.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -65.63 -38.93 90.79 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.981 1.474 . . . . 35.31 114.981 -175.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . . . -62.0 -38.22 87.78 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-O 121.229 0.537 . . . . 45.19 109.565 176.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -77.99 -31.73 50.84 Favored 'General case' 0 N--CA 1.437 -1.075 0 C-N-CA 119.295 -0.962 . . . . 34.07 108.719 -176.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -65.75 -41.85 91.65 Favored 'General case' 0 C--O 1.254 1.308 0 C-N-CA 119.226 -0.99 . . . . 29.49 111.798 175.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.2 mmm -55.89 -42.35 75.83 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.487 1.291 . . . . 46.15 114.487 172.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.57 -32.21 73.15 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.71 -1.219 . . . . 30.53 107.71 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' A' ' 80' ' ' ILE . 24.7 t80 -72.0 -43.6 64.81 Favored 'General case' 0 C--O 1.247 0.96 0 C-N-CA 119.793 -0.763 . . . . 34.29 108.945 -177.897 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.15 -42.44 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.229 -0.441 . . . . 32.01 110.043 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.29 97.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 120.75 -0.38 . . . . 31.78 111.599 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -37.64 88.26 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 118.927 -1.109 . . . . 56.43 110.928 179.949 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.449 HD11 ' CZ ' ' A' ' 76' ' ' PHE . 69.7 mt -68.79 -48.06 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 122.048 -0.407 . . . . 38.21 111.181 178.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -60.78 -45.79 92.98 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.291 -0.413 . . . . 35.44 111.174 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.1 m -61.2 -37.52 83.26 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.662 0.986 . . . . 40.86 113.662 174.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.54 84.6 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 119.655 -0.818 . . . . 40.88 109.822 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.5 t -74.52 -40.12 61.96 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 107.408 -1.33 . . . . 44.61 107.408 -177.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -53.82 -53.36 53.47 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.044 1.127 . . . . 42.91 114.044 173.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.74 -29.99 69.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.714 -0.394 . . . . 54.21 110.769 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -54.07 -43.46 70.29 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.168 -1.049 . . . . 56.08 108.168 176.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.894 ' CE1' ' CE2' ' A' ' 88' ' ' PHE . 95.6 m-85 -98.72 77.19 2.24 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 115.451 -0.795 . . . . 56.7 111.197 176.15 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.881 ' HA ' ' O ' ' A' ' 238' ' ' HOH . 1.2 pt-20 . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 113.509 0.929 . . . . 64.15 113.509 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' MET . . . . . 0.788 ' HG3' ' HG3' ' B' ' 5' ' ' LYS . 7.7 ptp . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 107.899 -1.149 . . . . 54.05 107.899 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 60.2 p -83.28 166.83 18.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.472 -0.936 . . . . 49.72 108.472 178.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.45 -34.15 76.23 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.461 -0.791 . . . . 54.26 110.476 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -47.76 70.86 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.586 -0.894 . . . . 33.04 108.586 179.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.456 ' O ' HG13 ' B' ' 8' ' ' VAL . 87.0 mt-10 -66.95 -38.24 85.76 Favored 'General case' 0 C--O 1.252 1.217 0 CA-C-O 121.383 0.611 . . . . 36.39 111.139 -178.695 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.788 ' HG3' ' HG3' ' B' ' 0' ' ' MET . . . -56.45 -42.48 78.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.458 -0.792 . . . . 43.36 112.694 169.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.54 96.49 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.29 0.567 . . . . 36.14 110.181 -178.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.04 -48.07 87.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.56 -0.746 . . . . 32.83 110.02 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.456 HG13 ' O ' ' B' ' 4' ' ' GLU . 2.2 m -68.4 -28.11 39.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 119.108 -1.037 . . . . 38.24 110.891 -177.605 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.88 75.22 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.815 0.697 . . . . 30.76 110.226 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 87.6 mt -56.33 -53.83 52.69 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.237 1.199 . . . . 32.31 114.237 173.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.9 mt -53.19 -53.18 24.37 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 CA-C-O 120.78 0.324 . . . . 35.61 111.608 169.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -52.58 -52.35 55.55 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 118.985 -1.086 . . . . 44.35 113.329 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.93 -39.47 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.498 -0.751 . . . . 30.17 110.465 -173.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.98 -41.7 96.96 Favored 'General case' 0 C--O 1.207 -1.182 0 C-N-CA 118.902 -1.119 . . . . 33.74 108.754 -179.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -78.36 -29.75 47.66 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 117.61 -1.636 . . . . 48.2 114.218 -176.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -51.58 -49.92 61.17 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 107.801 -1.185 . . . . 44.93 107.801 171.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -80.19 -47.04 15.3 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 117.08 2.252 . . . . 30.89 117.08 -175.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 92.1 p -59.63 -32.36 70.36 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 121.376 0.608 . . . . 31.68 110.632 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.11 -3.11 89.52 Favored Glycine 0 N--CA 1.464 0.513 0 C-N-CA 119.499 -1.334 . . . . 34.65 114.696 -171.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -64.94 -43.09 93.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.45 0.908 . . . . 38.16 113.45 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -150.08 151.4 33.15 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.372 -0.603 . . . . 47.49 109.372 -168.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.92 -136.84 44.86 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 109.728 -1.349 . . . . 39.85 109.728 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -53.99 121.16 7.45 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 107.862 -1.162 . . . . 47.39 107.862 175.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . . . -81.48 -3.25 52.48 Favored 'General case' 0 N--CA 1.438 -1.061 0 O-C-N 123.695 0.622 . . . . 42.89 112.489 -176.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -112.17 2.48 16.71 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 114.216 1.191 . . . . 46.7 114.216 176.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . . . -124.89 152.92 43.41 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 121.496 -0.753 . . . . 37.94 110.571 172.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.6 mt -92.57 116.7 29.23 Favored 'General case' 0 N--CA 1.432 -1.348 0 CA-C-O 118.88 -0.581 . . . . 30.96 109.952 171.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -77.11 173.69 11.54 Favored 'General case' 0 C--O 1.247 0.95 0 N-CA-C 106.483 -1.673 . . . . 44.74 106.483 167.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -49.6 -49.63 45.9 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.81 1.411 . . . . 35.5 114.81 178.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -63.71 -41.69 98.05 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 119.431 -0.908 . . . . 34.05 110.457 -176.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -64.01 -43.08 96.75 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 113.068 0.766 . . . . 33.7 113.068 174.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -47.7 84.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 120.196 -0.602 . . . . 34.81 110.043 176.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -52.06 -46.58 65.19 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.976 0.732 . . . . 41.89 112.976 177.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -70.45 -30.1 66.85 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 119.837 -0.745 . . . . 39.03 110.957 -173.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 tt -67.2 -50.58 60.39 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.611 -0.885 . . . . 31.36 108.611 -177.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.1 mt -60.01 -47.08 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 O-C-N 123.455 0.472 . . . . 29.15 110.97 175.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.997 HD21 ' H ' ' B' ' 47' ' ' ILE . 2.5 m120 -66.98 -40.55 87.43 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.177 -0.609 . . . . 29.41 112.605 -174.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -85.15 -33.97 22.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.06 0.763 . . . . 30.65 113.06 -177.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -113.56 -13.06 12.8 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 119.929 -0.708 . . . . 38.05 112.786 -163.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -125.57 34.72 4.86 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 113.749 1.018 . . . . 29.98 113.749 -177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 49.8 p -70.35 -21.5 62.89 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.556 1.16 . . . . 33.88 111.633 -170.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -89.64 -15.75 32.02 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.514 0.561 . . . . 44.51 112.514 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -109.11 -29.87 8.33 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 114.853 1.427 . . . . 40.44 114.853 -173.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 89.1 mt -131.56 146.24 52.12 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 108.802 -0.814 . . . . 35.7 108.802 -175.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.61 138.61 57.58 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 106.104 -1.813 . . . . 49.03 106.104 -179.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -53.21 139.06 30.29 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.299 0.374 . . . . 41.97 110.932 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.997 ' H ' HD21 ' B' ' 37' ' ' ASN . 74.3 mt -92.41 120.42 41.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 113.052 0.76 . . . . 33.35 113.052 177.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -124.89 -6.48 7.33 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.434 0.901 . . . . 44.64 113.434 -175.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.73 ' HG3' ' O ' ' B' ' 224' ' ' HOH . 5.9 mt-10 -119.2 140.3 50.42 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.319 -0.993 . . . . 53.0 108.319 -178.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -55.05 -37.59 66.92 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.984 0.914 . . . . 42.27 112.624 169.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -57.54 -41.58 81.23 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 119.932 -0.707 . . . . 42.85 111.62 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.43 ' O ' HG23 ' B' ' 56' ' ' VAL . 76.3 t -70.96 -43.78 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 116.125 -0.488 . . . . 31.51 112.084 179.565 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -52.99 -48.58 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 116.099 -0.5 . . . . 32.8 110.195 172.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -61.64 -46.86 87.96 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.923 0.392 . . . . 33.46 111.471 -176.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.658 ' HE3' ' OE1' ' B' ' 58' ' ' GLU . 0.1 OUTLIER -66.92 -42.22 85.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.679 -0.691 . . . . 45.07 111.891 -177.882 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 52' ' ' VAL . 95.8 t -56.79 -55.84 17.68 Favored 'Isoleucine or valine' 0 C--O 1.26 1.616 0 N-CA-C 108.323 -0.992 . . . . 33.23 108.323 176.1 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 63.6 tpp -53.28 -44.93 68.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 O-C-N 124.073 0.858 . . . . 32.94 111.647 177.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.658 ' OE1' ' HE3' ' B' ' 55' ' ' LYS . 72.1 tt0 -55.69 -45.64 77.77 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.319 -0.552 . . . . 53.89 112.4 179.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.9 m -67.42 -42.39 83.31 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.867 0.867 . . . . 40.26 111.793 -178.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.7 mt -76.76 -19.22 57.87 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 117.536 2.421 . . . . 35.97 117.536 178.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -91.46 79.58 5.54 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.009 -1.108 . . . . 37.41 108.009 -168.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.7 m -59.97 -46.51 89.21 Favored 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 124.526 1.141 . . . . 43.05 112.783 -177.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -87.78 6.85 33.13 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.567 0.951 . . . . 43.68 113.567 -172.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.72 24.4 68.07 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 119.51 2.564 . . . . 44.42 119.51 175.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -96.24 12.48 30.82 Favored 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 113.473 0.916 . . . . 43.05 113.473 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.24 1.28 56.6 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 118.424 2.129 . . . . 39.95 118.424 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -125.18 166.03 17.18 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 106.691 -1.596 . . . . 42.59 106.691 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 51.8 t -108.09 112.51 25.09 Favored 'General case' 0 C--O 1.252 1.211 0 N-CA-C 108.611 -0.885 . . . . 32.35 108.611 172.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 32.8 p30 -84.18 -176.43 6.26 Favored 'General case' 0 C--O 1.262 1.731 0 N-CA-C 113.041 0.756 . . . . 32.8 113.041 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -66.77 -39.01 87.69 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 118.902 -1.119 . . . . 41.46 110.267 -171.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.89 -46.87 87.52 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 123.677 0.611 . . . . 50.58 109.433 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -66.15 -35.32 80.18 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.658 -0.701 . . . . 32.07 110.176 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.35 -41.31 96.81 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.898 -0.321 . . . . 32.19 110.288 174.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 87.1 mmm -62.89 -38.72 92.04 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.261 -0.575 . . . . 42.5 111.149 -179.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.88 -37.6 74.25 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.408 0.683 . . . . 31.01 111.507 173.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -70.89 -43.74 67.75 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.436 -0.949 . . . . 34.57 108.436 -178.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.8 -44.22 85.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.499 -0.773 . . . . 29.46 110.572 174.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.6 83.53 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 119.81 -0.756 . . . . 32.31 111.188 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 36.7 mtt -58.58 -49.75 76.31 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.999 0.904 . . . . 50.97 112.229 178.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.4 mt -65.0 -42.86 95.84 Favored 'Isoleucine or valine' 0 C--O 1.267 2.018 0 CA-C-N 115.816 -0.629 . . . . 34.8 110.224 -179.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.6 m -63.59 -40.78 97.81 Favored 'General case' 0 C--O 1.261 1.676 0 CA-C-O 121.362 0.601 . . . . 33.51 110.172 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.1 m -66.0 -41.91 90.44 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.288 -0.869 . . . . 39.08 112.136 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.4 74.42 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.026 0.441 . . . . 42.22 111.219 171.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 70.5 m -70.96 -35.85 72.32 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.904 0.705 . . . . 49.87 112.904 -177.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -69.04 -37.75 78.75 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 114.978 -1.01 . . . . 53.89 112.151 -179.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -80.72 -7.49 59.36 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 116.472 2.027 . . . . 53.42 116.472 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . . . -58.96 -18.92 38.25 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 112.838 0.681 . . . . 62.11 112.838 163.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.58 ' O ' ' HB2' ' B' ' 89' ' ' GLU . 3.5 m-85 -124.76 173.53 8.51 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.814 0.846 . . . . 62.55 112.903 177.416 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLU . . . . . 1.04 ' HG3' ' O ' ' B' ' 244' ' ' HOH . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 C-N-CA 125.216 1.406 . . . . 65.7 112.342 165.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.409 ' O ' ' HA3' ' A' ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . 0.423 ' O ' ' O ' ' A' ' 63' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . 0.881 ' O ' ' HA ' ' A' ' 89' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . 0.73 ' O ' ' HG3' ' B' ' 49' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 244' ' ' HOH . . . . . 1.04 ' O ' ' HG3' ' B' ' 89' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_