data_3cr2_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 3cr2 _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 . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.256 1.412 0 CA-C-O 120.762 0.315 . . . . 61.490000000000002 110.275 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.5 p -77.69 163.34 26.26 Favored 'General case' 0 C--O 1.19 -2.032 0 O-C-N 124.933 1.396 . . . . 51.350000000000001 110.002 -175.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -49.09 -38.94 26.17 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 114.369 1.248 . . . . 56.840000000000003 114.369 172.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -40.57 78.01 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 120.09 -0.644 . . . . 53.439999999999998 110.24 178.85 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -66.43 -42.9 87.02 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 119.863 -0.735 . . . . 50.409999999999997 109.761 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -56.22 -38.7 71.39 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.256 -0.578 . . . . 48.149999999999999 109.851 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.45 -45.76 71.62 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 123.137 0.273 . . . . 49.539999999999999 110.885 -177.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.5 t -55.34 -45.0 77.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 109.832 -0.433 . . . . 49.719999999999999 109.832 176.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.275 0.8 OUTLIER -75.4 -28.67 20.36 Favored 'Isoleucine or valine' 0 C--O 1.245 0.859 0 C-N-CA 116.417 -2.113 . . . . 51.719999999999999 110.65 -175.157 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.95 85.13 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.749 -0.834 . . . . 49.659999999999997 108.749 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.67 -44.85 92.52 Favored 'General case' 0 C--O 1.257 1.498 0 CA-C-O 121.267 0.556 . . . . 49.229999999999997 112.294 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.7 mt -59.19 -48.19 87.7 Favored 'Isoleucine or valine' 0 C--O 1.247 0.948 0 CA-C-N 115.588 -0.733 . . . . 50.32 112.366 172.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . 0.71 ' OD2' ' NE2' ' A' ' 16' ' ' GLN . 26.6 t70 -63.1 -49.02 76.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.596 -0.729 . . . . 56.520000000000003 112.047 -174.753 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 p -63.24 -42.17 95.48 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.132 0 N-CA-C 107.591 -1.262 . . . . 50.060000000000002 107.591 -176.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -52.07 -46.35 65.14 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 119.369 -0.932 . . . . 50.390000000000001 112.945 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -77.3 -32.29 55.27 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 121.228 0.537 . . . . 57.219999999999999 110.607 -173.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . 0.71 ' NE2' ' OD2' ' A' ' 12' ' ' ASP . 65.0 mt-30 -51.21 -46.15 62.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 57.390000000000001 110.933 171.643 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -91.65 -41.61 10.64 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 114.917 1.451 . . . . 50.359999999999999 114.917 -175.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 p -63.17 -28.9 70.37 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 115.278 1.585 . . . . 49.960000000000001 115.278 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.2 7.46 80.55 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 114.783 0.673 . . . . 50.880000000000003 114.783 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -70.36 -50.24 40.97 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.045 0.387 . . . . 52.049999999999997 112.045 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.15 157.16 44.16 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.161 0.505 . . . . 53.340000000000003 111.437 -176.627 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.76 -137.11 40.13 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 114.956 -1.02 . . . . 52.100000000000001 110.763 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -56.78 110.52 0.81 Allowed 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 108.074 -1.084 . . . . 51.93 108.074 -177.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -59.28 -16.34 21.05 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.872 0.469 . . . . 51.009999999999998 111.898 -178.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.55 17.59 19.87 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 118.374 2.731 . . . . 53.18 118.374 -179.467 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -140.99 148.42 40.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.228 -1.767 . . . . 50.140000000000001 106.228 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 mt -89.93 114.92 26.81 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 105.93 -1.878 . . . . 53.219999999999999 105.93 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . 0.634 ' NZ ' ' O ' ' A' ' 111' ' ' HOH . 0.2 OUTLIER -81.14 168.9 18.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.094 -1.817 . . . . 59.899999999999999 106.094 168.15 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -47.83 -49.05 30.34 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 116.008 1.855 . . . . 48.200000000000003 116.008 -175.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -65.47 -34.2 77.72 Favored 'General case' 0 C--O 1.25 1.118 0 N-CA-C 112.701 0.63 . . . . 49.289999999999999 112.701 178.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -69.14 -46.39 67.72 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 119.326 -0.95 . . . . 50.539999999999999 111.176 174.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -50.02 60.97 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 115.767 -0.651 . . . . 54.409999999999997 112.45 174.976 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -55.2 -46.8 75.88 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.302 1.223 . . . . 54.75 114.302 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -69.33 -36.14 76.64 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.692 -0.685 . . . . 53.710000000000001 109.288 -178.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.66 -47.29 86.05 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 107.361 -1.348 . . . . 55.020000000000003 107.361 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.1 mt -64.12 -44.39 97.62 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.094 -0.957 . . . . 51.030000000000001 110.459 -178.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -70.64 -36.36 73.37 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-O 121.756 0.789 . . . . 52.859999999999999 111.928 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -94.79 -31.71 13.62 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 108.044 -1.095 . . . . 51.590000000000003 108.044 -168.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -111.95 -12.3 13.77 Favored 'General case' 0 C--O 1.265 1.883 0 N-CA-C 116.401 2.001 . . . . 50.859999999999999 116.401 -167.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.0 mt -123.27 30.5 6.29 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 113.215 0.82 . . . . 50.609999999999999 113.215 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.2 p -67.68 -21.88 65.31 Favored 'General case' 0 C--O 1.21 -1.017 0 N-CA-C 113.181 0.808 . . . . 47.689999999999998 113.181 -171.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.6 m80 -90.56 -16.59 28.5 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.503 0.927 . . . . 50.549999999999997 113.503 177.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -106.61 -26.71 11.24 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 114.024 1.12 . . . . 51.869999999999997 114.024 -177.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 mt -132.73 142.86 49.25 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 112.214 0.45 . . . . 52.700000000000003 112.214 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . 0.633 ' N ' ' O ' ' A' ' 145' ' ' HOH . 63.4 mt-10 -61.27 143.37 55.76 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 109.457 -0.572 . . . . 56.740000000000002 109.457 176.633 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -52.97 139.18 28.42 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 120.476 -0.49 . . . . 52.359999999999999 110.657 174.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.9 mt -92.17 114.39 29.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 CA-C-N 115.938 -0.574 . . . . 51.460000000000001 111.212 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -119.76 -7.88 9.97 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.885 1.439 . . . . 53.549999999999997 114.885 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -115.66 141.36 48.17 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.896 -0.779 . . . . 48.909999999999997 108.896 -176.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -57.38 -37.12 72.15 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 109.859 -0.423 . . . . 54.280000000000001 109.859 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -57.18 -36.84 71.29 Favored 'General case' 0 CA--C 1.49 -1.344 0 C-N-CA 123.967 0.907 . . . . 55.109999999999999 112.134 -177.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -76.72 -44.34 33.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.481 -1.236 . . . . 48.259999999999998 110.034 -178.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.0 t -48.95 -56.11 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 CA-C-O 121.341 0.591 . . . . 53.810000000000002 110.344 169.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -55.09 -50.21 69.75 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 121.525 0.679 . . . . 49.189999999999998 112.444 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . . . -61.78 -46.72 88.32 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.682 0.993 . . . . 52.189999999999998 113.682 -178.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.78 -42.19 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 109.971 -0.381 . . . . 51.700000000000003 109.971 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.8 tpp -63.97 -44.72 91.89 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 120.998 0.428 . . . . 49.68 111.026 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -53.05 -41.75 65.11 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.475 -0.935 . . . . 55.670000000000002 108.475 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 80.6 m -70.31 -40.25 74.33 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 114.111 1.152 . . . . 51.619999999999997 114.111 -177.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . 0.574 ' CD2' ' O ' ' A' ' 144' ' ' HOH . 32.4 mt -84.61 -26.45 27.88 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.054 0.761 . . . . 58.390000000000001 113.054 -177.516 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -77.29 87.42 3.7 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.949 -0.569 . . . . 52.880000000000003 111.217 -176.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.3 m -72.98 -32.11 64.98 Favored 'General case' 0 C--O 1.247 0.962 0 N-CA-C 114.643 1.349 . . . . 51.840000000000003 114.643 179.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 p30 -98.0 3.42 49.47 Favored 'General case' 0 C--O 1.246 0.879 0 C-N-CA 118.253 -1.379 . . . . 55.310000000000002 111.789 -175.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.36 23.87 76.25 Favored Glycine 0 C--O 1.292 3.771 0 CA-C-N 114.985 -1.007 . . . . 52.270000000000003 114.656 169.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -90.45 10.21 26.1 Favored 'General case' 0 C--N 1.378 1.829 0 N-CA-C 114.933 1.457 . . . . 55.109999999999999 114.933 178.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.21 -2.3 45.08 Favored Glycine 0 C--N 1.347 1.172 0 N-CA-C 116.389 1.316 . . . . 50.950000000000003 116.389 -179.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -128.49 167.62 16.82 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 117.905 0.852 . . . . 53.789999999999999 110.005 174.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.4 t -110.66 115.4 29.51 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.844 -0.616 . . . . 49.909999999999997 109.517 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -93.52 -174.08 3.38 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 108.553 -0.906 . . . . 53.469999999999999 108.553 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.62 -40.48 97.02 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 119.701 -0.8 . . . . 51.5 112.459 -171.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.95 -43.7 91.85 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.21 0.528 . . . . 57.799999999999997 109.768 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.83 -35.81 80.9 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.653 -0.703 . . . . 51.600000000000001 111.111 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -64.7 -41.84 95.71 Favored 'General case' 0 C--O 1.256 1.441 0 C-N-CA 120.025 -0.67 . . . . 49.710000000000001 111.694 177.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 83.9 mmm -58.88 -42.04 88.52 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.798 -0.637 . . . . 54.710000000000001 110.018 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.99 85.15 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 111.956 0.354 . . . . 50.020000000000003 111.956 173.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -60.82 -48.41 81.92 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 124.459 1.104 . . . . 52.950000000000003 111.877 175.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.2 t -57.86 -43.08 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 120.83 -0.348 . . . . 50.159999999999997 110.412 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.3 97.26 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 112.762 0.653 . . . . 49.479999999999997 112.762 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 mtt -57.8 -47.85 81.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.829 0.823 . . . . 56.759999999999998 111.071 175.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mt -68.61 -45.12 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 107.734 -1.21 . . . . 59.270000000000003 107.734 -174.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 42.2 m -57.79 -48.71 78.92 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.012 -0.995 . . . . 48.259999999999998 112.712 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.4 m -58.41 -44.6 89.1 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.878 0.471 . . . . 50.109999999999999 111.154 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.69 93.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.49 0.922 . . . . 51.68 113.49 174.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.51 -42.4 98.48 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 121.151 0.5 . . . . 54.259999999999998 110.472 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -57.4 -50.52 72.73 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.77 -0.65 . . . . 50.93 112.602 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.62 -28.17 63.6 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.865 -0.607 . . . . 55.810000000000002 111.646 -173.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -60.26 -30.8 69.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.864 -0.607 . . . . 51.399999999999999 112.468 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -110.14 18.64 19.77 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 114.926 1.454 . . . . 54.969999999999999 114.926 -164.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 C--O 1.264 1.841 0 CA-C-N 114.537 -1.211 . . . . 55.560000000000002 108.302 173.237 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . 0.634 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . 0.611 ' O ' ' CB ' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . 0.574 ' O ' ' CD2' ' A' ' 60' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . 0.633 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.256 1.412 0 CA-C-O 120.762 0.315 . . . . 61.490000000000002 110.275 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.5 p -77.69 163.34 26.26 Favored 'General case' 0 C--O 1.19 -2.032 0 O-C-N 124.933 1.396 . . . . 51.350000000000001 110.002 -175.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -49.09 -38.94 26.17 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 114.369 1.248 . . . . 56.840000000000003 114.369 172.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -40.57 78.01 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 120.09 -0.644 . . . . 53.439999999999998 110.24 178.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -66.43 -42.9 87.02 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 119.863 -0.735 . . . . 50.409999999999997 109.761 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -56.22 -38.7 71.39 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.256 -0.578 . . . . 48.149999999999999 109.851 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.45 -45.76 71.62 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 123.137 0.273 . . . . 49.539999999999999 110.885 -177.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.5 t -55.34 -45.0 77.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 109.832 -0.433 . . . . 49.719999999999999 109.832 176.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.275 0.8 OUTLIER -75.4 -28.67 20.36 Favored 'Isoleucine or valine' 0 C--O 1.245 0.859 0 C-N-CA 116.417 -2.113 . . . . 51.719999999999999 110.65 -175.157 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.95 85.13 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.749 -0.834 . . . . 49.659999999999997 108.749 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.67 -44.85 92.52 Favored 'General case' 0 C--O 1.257 1.498 0 CA-C-O 121.267 0.556 . . . . 49.229999999999997 112.294 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.7 mt -59.19 -48.19 87.7 Favored 'Isoleucine or valine' 0 C--O 1.247 0.948 0 CA-C-N 115.588 -0.733 . . . . 50.32 112.366 172.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . 0.977 ' HB2' ' O ' ' A' ' 141' ' ' HOH . 26.6 t70 -63.1 -49.02 76.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.596 -0.729 . . . . 56.520000000000003 112.047 -174.753 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 p -63.24 -42.17 95.48 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.132 0 N-CA-C 107.591 -1.262 . . . . 50.060000000000002 107.591 -176.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -52.07 -46.35 65.14 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 119.369 -0.932 . . . . 50.390000000000001 112.945 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -77.3 -32.29 55.27 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 121.228 0.537 . . . . 57.219999999999999 110.607 -173.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . 0.56 ' OE1' ' OD2' ' A' ' 12' ' ' ASP . 17.6 mt-30 -51.21 -46.15 62.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 57.390000000000001 110.933 171.643 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -91.65 -41.61 10.64 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 114.917 1.451 . . . . 50.359999999999999 114.917 -175.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 p -63.17 -28.9 70.37 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 115.278 1.585 . . . . 49.960000000000001 115.278 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.2 7.46 80.55 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 114.783 0.673 . . . . 50.880000000000003 114.783 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -70.36 -50.24 40.97 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.045 0.387 . . . . 52.049999999999997 112.045 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.15 157.16 44.16 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.161 0.505 . . . . 53.340000000000003 111.437 -176.627 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . 0.602 ' HA3' ' O ' ' A' ' 126' ' ' HOH . . . 53.76 -137.11 40.13 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 114.956 -1.02 . . . . 52.100000000000001 110.763 177.936 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -56.78 110.52 0.81 Allowed 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 108.074 -1.084 . . . . 51.93 108.074 -177.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -59.28 -16.34 21.05 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.872 0.469 . . . . 51.009999999999998 111.898 -178.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.55 17.59 19.87 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 118.374 2.731 . . . . 53.18 118.374 -179.467 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -140.99 148.42 40.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.228 -1.767 . . . . 50.140000000000001 106.228 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 mt -89.93 114.92 26.81 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 105.93 -1.878 . . . . 53.219999999999999 105.93 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.14 168.9 18.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.094 -1.817 . . . . 59.899999999999999 106.094 168.15 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -47.83 -49.05 30.34 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 116.008 1.855 . . . . 48.200000000000003 116.008 -175.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 89.1 p -65.47 -34.2 77.72 Favored 'General case' 0 C--O 1.25 1.118 0 N-CA-C 112.701 0.63 . . . . 49.289999999999999 112.701 178.939 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -69.14 -46.39 67.72 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 119.326 -0.95 . . . . 50.539999999999999 111.176 174.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -50.02 60.97 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 115.767 -0.651 . . . . 54.409999999999997 112.45 174.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -55.2 -46.8 75.88 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.302 1.223 . . . . 54.75 114.302 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 30' ' ' SER . 13.7 mm-40 -69.33 -36.14 76.64 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.692 -0.685 . . . . 53.710000000000001 109.288 -178.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.66 -47.29 86.05 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 107.361 -1.348 . . . . 55.020000000000003 107.361 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.1 mt -64.12 -44.39 97.62 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.094 -0.957 . . . . 51.030000000000001 110.459 -178.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -70.64 -36.36 73.37 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-O 121.756 0.789 . . . . 52.859999999999999 111.928 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -94.79 -31.71 13.62 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 108.044 -1.095 . . . . 51.590000000000003 108.044 -168.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -111.95 -12.3 13.77 Favored 'General case' 0 C--O 1.265 1.883 0 N-CA-C 116.401 2.001 . . . . 50.859999999999999 116.401 -167.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.0 mt -123.27 30.5 6.29 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 113.215 0.82 . . . . 50.609999999999999 113.215 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.2 p -67.68 -21.88 65.31 Favored 'General case' 0 C--O 1.21 -1.017 0 N-CA-C 113.181 0.808 . . . . 47.689999999999998 113.181 -171.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.6 m80 -90.56 -16.59 28.5 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.503 0.927 . . . . 50.549999999999997 113.503 177.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -106.61 -26.71 11.24 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 114.024 1.12 . . . . 51.869999999999997 114.024 -177.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 mt -132.73 142.86 49.25 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 112.214 0.45 . . . . 52.700000000000003 112.214 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . 0.633 ' N ' ' O ' ' A' ' 145' ' ' HOH . 63.4 mt-10 -61.27 143.37 55.76 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 109.457 -0.572 . . . . 56.740000000000002 109.457 176.633 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -52.97 139.18 28.42 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 120.476 -0.49 . . . . 52.359999999999999 110.657 174.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.9 mt -92.17 114.39 29.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 CA-C-N 115.938 -0.574 . . . . 51.460000000000001 111.212 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -119.76 -7.88 9.97 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.885 1.439 . . . . 53.549999999999997 114.885 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -115.66 141.36 48.17 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.896 -0.779 . . . . 48.909999999999997 108.896 -176.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -57.38 -37.12 72.15 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 109.859 -0.423 . . . . 54.280000000000001 109.859 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -57.18 -36.84 71.29 Favored 'General case' 0 CA--C 1.49 -1.344 0 C-N-CA 123.967 0.907 . . . . 55.109999999999999 112.134 -177.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -76.72 -44.34 33.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.481 -1.236 . . . . 48.259999999999998 110.034 -178.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.0 t -48.95 -56.11 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 CA-C-O 121.341 0.591 . . . . 53.810000000000002 110.344 169.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -55.09 -50.21 69.75 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 121.525 0.679 . . . . 49.189999999999998 112.444 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . . . -61.78 -46.72 88.32 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.682 0.993 . . . . 52.189999999999998 113.682 -178.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 92.9 t -59.78 -42.19 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 109.971 -0.381 . . . . 51.700000000000003 109.971 -179.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.8 tpp -63.97 -44.72 91.89 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 120.998 0.428 . . . . 49.68 111.026 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -53.05 -41.75 65.11 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.475 -0.935 . . . . 55.670000000000002 108.475 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 144' ' ' HOH . 80.6 m -70.31 -40.25 74.33 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 114.111 1.152 . . . . 51.619999999999997 114.111 -177.16 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . 0.574 ' CD2' ' O ' ' A' ' 144' ' ' HOH . 32.4 mt -84.61 -26.45 27.88 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.054 0.761 . . . . 58.390000000000001 113.054 -177.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -77.29 87.42 3.7 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.949 -0.569 . . . . 52.880000000000003 111.217 -176.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.3 m -72.98 -32.11 64.98 Favored 'General case' 0 C--O 1.247 0.962 0 N-CA-C 114.643 1.349 . . . . 51.840000000000003 114.643 179.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 p30 -98.0 3.42 49.47 Favored 'General case' 0 C--O 1.246 0.879 0 C-N-CA 118.253 -1.379 . . . . 55.310000000000002 111.789 -175.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.36 23.87 76.25 Favored Glycine 0 C--O 1.292 3.771 0 CA-C-N 114.985 -1.007 . . . . 52.270000000000003 114.656 169.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -90.45 10.21 26.1 Favored 'General case' 0 C--N 1.378 1.829 0 N-CA-C 114.933 1.457 . . . . 55.109999999999999 114.933 178.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.21 -2.3 45.08 Favored Glycine 0 C--N 1.347 1.172 0 N-CA-C 116.389 1.316 . . . . 50.950000000000003 116.389 -179.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -128.49 167.62 16.82 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 117.905 0.852 . . . . 53.789999999999999 110.005 174.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.4 t -110.66 115.4 29.51 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.844 -0.616 . . . . 49.909999999999997 109.517 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -93.52 -174.08 3.38 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 108.553 -0.906 . . . . 53.469999999999999 108.553 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.62 -40.48 97.02 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 119.701 -0.8 . . . . 51.5 112.459 -171.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.95 -43.7 91.85 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.21 0.528 . . . . 57.799999999999997 109.768 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.83 -35.81 80.9 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.653 -0.703 . . . . 51.600000000000001 111.111 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -64.7 -41.84 95.71 Favored 'General case' 0 C--O 1.256 1.441 0 C-N-CA 120.025 -0.67 . . . . 49.710000000000001 111.694 177.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 83.9 mmm -58.88 -42.04 88.52 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.798 -0.637 . . . . 54.710000000000001 110.018 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.99 85.15 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 111.956 0.354 . . . . 50.020000000000003 111.956 173.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . 0.518 ' CZ ' HD11 ' A' ' 80' ' ' ILE . 18.9 t80 -60.82 -48.41 81.92 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 124.459 1.104 . . . . 52.950000000000003 111.877 175.457 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.2 t -57.86 -43.08 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 120.83 -0.348 . . . . 50.159999999999997 110.412 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.3 97.26 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 112.762 0.653 . . . . 49.479999999999997 112.762 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 mtt -57.8 -47.85 81.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.829 0.823 . . . . 56.759999999999998 111.071 175.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . 0.518 HD11 ' CZ ' ' A' ' 76' ' ' PHE . 46.2 mt -68.61 -45.12 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 107.734 -1.21 . . . . 59.270000000000003 107.734 -174.016 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 42.2 m -57.79 -48.71 78.92 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.012 -0.995 . . . . 48.259999999999998 112.712 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.4 m -58.41 -44.6 89.1 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.878 0.471 . . . . 50.109999999999999 111.154 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.69 93.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.49 0.922 . . . . 51.68 113.49 174.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.51 -42.4 98.48 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 121.151 0.5 . . . . 54.259999999999998 110.472 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -57.4 -50.52 72.73 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.77 -0.65 . . . . 50.93 112.602 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.62 -28.17 63.6 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.865 -0.607 . . . . 55.810000000000002 111.646 -173.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -60.26 -30.8 69.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.864 -0.607 . . . . 51.399999999999999 112.468 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -110.14 18.64 19.77 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 114.926 1.454 . . . . 54.969999999999999 114.926 -164.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 131' ' ' HOH . 90.2 mt-10 . . . . . 0 C--O 1.264 1.841 0 CA-C-N 114.537 -1.211 . . . . 55.560000000000002 108.302 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . 0.602 ' O ' ' HA3' ' A' ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . 0.44 ' O ' ' HG2' ' A' ' 89' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . 0.977 ' O ' ' HB2' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . 0.574 ' O ' ' CD2' ' A' ' 60' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . 0.633 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.256 1.412 0 CA-C-O 120.762 0.315 . . . . 61.490000000000002 110.275 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.5 p -77.69 163.34 26.26 Favored 'General case' 0 C--O 1.19 -2.032 0 O-C-N 124.933 1.396 . . . . 51.350000000000001 110.002 -175.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -49.09 -38.94 26.17 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 114.369 1.248 . . . . 56.840000000000003 114.369 172.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -40.57 78.01 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 120.09 -0.644 . . . . 53.439999999999998 110.24 178.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -66.43 -42.9 87.02 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 119.863 -0.735 . . . . 50.409999999999997 109.761 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . . . -56.22 -38.7 71.39 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.256 -0.578 . . . . 48.149999999999999 109.851 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.45 -45.76 71.62 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 123.137 0.273 . . . . 49.539999999999999 110.885 -177.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.5 t -55.34 -45.0 77.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 109.832 -0.433 . . . . 49.719999999999999 109.832 176.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.275 0.8 OUTLIER -75.4 -28.67 20.36 Favored 'Isoleucine or valine' 0 C--O 1.245 0.859 0 C-N-CA 116.417 -2.113 . . . . 51.719999999999999 110.65 -175.157 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.95 85.13 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.749 -0.834 . . . . 49.659999999999997 108.749 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.67 -44.85 92.52 Favored 'General case' 0 C--O 1.257 1.498 0 CA-C-O 121.267 0.556 . . . . 49.229999999999997 112.294 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.7 mt -59.19 -48.19 87.7 Favored 'Isoleucine or valine' 0 C--O 1.247 0.948 0 CA-C-N 115.588 -0.733 . . . . 50.32 112.366 172.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.977 ' HB2' ' O ' ' A' ' 141' ' ' HOH . 26.6 t70 -63.1 -49.02 76.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.596 -0.729 . . . . 56.520000000000003 112.047 -174.753 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 p -63.24 -42.17 95.48 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.132 0 N-CA-C 107.591 -1.262 . . . . 50.060000000000002 107.591 -176.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -52.07 -46.35 65.14 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 119.369 -0.932 . . . . 50.390000000000001 112.945 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -77.3 -32.29 55.27 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 121.228 0.537 . . . . 57.219999999999999 110.607 -173.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.71 ' NE2' ' OD2' ' A' ' 12' ' ' ASP . 65.0 mt-30 -51.21 -46.15 62.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 57.390000000000001 110.933 171.643 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -91.65 -41.61 10.64 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 114.917 1.451 . . . . 50.359999999999999 114.917 -175.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 p -63.17 -28.9 70.37 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 115.278 1.585 . . . . 49.960000000000001 115.278 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.2 7.46 80.55 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 114.783 0.673 . . . . 50.880000000000003 114.783 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -70.36 -50.24 40.97 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.045 0.387 . . . . 52.049999999999997 112.045 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.15 157.16 44.16 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.161 0.505 . . . . 53.340000000000003 111.437 -176.627 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.602 ' HA3' ' O ' ' A' ' 126' ' ' HOH . . . 53.76 -137.11 40.13 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 114.956 -1.02 . . . . 52.100000000000001 110.763 177.936 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -56.78 110.52 0.81 Allowed 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 108.074 -1.084 . . . . 51.93 108.074 -177.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . . . -59.28 -16.34 21.05 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.872 0.469 . . . . 51.009999999999998 111.898 -178.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.55 17.59 19.87 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 118.374 2.731 . . . . 53.18 118.374 -179.467 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -140.99 148.42 40.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.228 -1.767 . . . . 50.140000000000001 106.228 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 mt -89.93 114.92 26.81 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 105.93 -1.878 . . . . 53.219999999999999 105.93 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.14 168.9 18.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.094 -1.817 . . . . 59.899999999999999 106.094 168.15 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -47.83 -49.05 30.34 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 116.008 1.855 . . . . 48.200000000000003 116.008 -175.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 89.1 p -65.47 -34.2 77.72 Favored 'General case' 0 C--O 1.25 1.118 0 N-CA-C 112.701 0.63 . . . . 49.289999999999999 112.701 178.939 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -69.14 -46.39 67.72 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 119.326 -0.95 . . . . 50.539999999999999 111.176 174.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -50.02 60.97 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 115.767 -0.651 . . . . 54.409999999999997 112.45 174.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -55.2 -46.8 75.88 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.302 1.223 . . . . 54.75 114.302 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 30' ' ' SER . 13.7 mm-40 -69.33 -36.14 76.64 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.692 -0.685 . . . . 53.710000000000001 109.288 -178.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.66 -47.29 86.05 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 107.361 -1.348 . . . . 55.020000000000003 107.361 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.1 mt -64.12 -44.39 97.62 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.094 -0.957 . . . . 51.030000000000001 110.459 -178.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.87 HD21 ' H ' ' A' ' 47' ' ' ILE . 3.1 m120 -70.64 -36.36 73.37 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-O 121.756 0.789 . . . . 52.859999999999999 111.928 -174.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -94.79 -31.71 13.62 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 108.044 -1.095 . . . . 51.590000000000003 108.044 -168.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -111.95 -12.3 13.77 Favored 'General case' 0 C--O 1.265 1.883 0 N-CA-C 116.401 2.001 . . . . 50.859999999999999 116.401 -167.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.0 mt -123.27 30.5 6.29 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 113.215 0.82 . . . . 50.609999999999999 113.215 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.2 p -67.68 -21.88 65.31 Favored 'General case' 0 C--O 1.21 -1.017 0 N-CA-C 113.181 0.808 . . . . 47.689999999999998 113.181 -171.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.6 m80 -90.56 -16.59 28.5 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.503 0.927 . . . . 50.549999999999997 113.503 177.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -106.61 -26.71 11.24 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 114.024 1.12 . . . . 51.869999999999997 114.024 -177.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 mt -132.73 142.86 49.25 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 112.214 0.45 . . . . 52.700000000000003 112.214 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.633 ' N ' ' O ' ' A' ' 145' ' ' HOH . 63.4 mt-10 -61.27 143.37 55.76 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 109.457 -0.572 . . . . 56.740000000000002 109.457 176.633 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -52.97 139.18 28.42 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 120.476 -0.49 . . . . 52.359999999999999 110.657 174.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.87 ' H ' HD21 ' A' ' 37' ' ' ASN . 50.9 mt -92.17 114.39 29.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 CA-C-N 115.938 -0.574 . . . . 51.460000000000001 111.212 176.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -119.76 -7.88 9.97 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.885 1.439 . . . . 53.549999999999997 114.885 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -115.66 141.36 48.17 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 108.896 -0.779 . . . . 48.909999999999997 108.896 -176.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -57.38 -37.12 72.15 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 109.859 -0.423 . . . . 54.280000000000001 109.859 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -57.18 -36.84 71.29 Favored 'General case' 0 CA--C 1.49 -1.344 0 C-N-CA 123.967 0.907 . . . . 55.109999999999999 112.134 -177.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -76.72 -44.34 33.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.481 -1.236 . . . . 48.259999999999998 110.034 -178.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.0 t -48.95 -56.11 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.147 0 CA-C-O 121.341 0.591 . . . . 53.810000000000002 110.344 169.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -55.09 -50.21 69.75 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 121.525 0.679 . . . . 49.189999999999998 112.444 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . . . -61.78 -46.72 88.32 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.682 0.993 . . . . 52.189999999999998 113.682 -178.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 92.9 t -59.78 -42.19 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 109.971 -0.381 . . . . 51.700000000000003 109.971 -179.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.8 tpp -63.97 -44.72 91.89 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 120.998 0.428 . . . . 49.68 111.026 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -53.05 -41.75 65.11 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.475 -0.935 . . . . 55.670000000000002 108.475 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 144' ' ' HOH . 80.6 m -70.31 -40.25 74.33 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 114.111 1.152 . . . . 51.619999999999997 114.111 -177.16 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.574 ' CD2' ' O ' ' A' ' 144' ' ' HOH . 32.4 mt -84.61 -26.45 27.88 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.054 0.761 . . . . 58.390000000000001 113.054 -177.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -77.29 87.42 3.7 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.949 -0.569 . . . . 52.880000000000003 111.217 -176.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.3 m -72.98 -32.11 64.98 Favored 'General case' 0 C--O 1.247 0.962 0 N-CA-C 114.643 1.349 . . . . 51.840000000000003 114.643 179.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 p30 -98.0 3.42 49.47 Favored 'General case' 0 C--O 1.246 0.879 0 C-N-CA 118.253 -1.379 . . . . 55.310000000000002 111.789 -175.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.36 23.87 76.25 Favored Glycine 0 C--O 1.292 3.771 0 CA-C-N 114.985 -1.007 . . . . 52.270000000000003 114.656 169.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -90.45 10.21 26.1 Favored 'General case' 0 C--N 1.378 1.829 0 N-CA-C 114.933 1.457 . . . . 55.109999999999999 114.933 178.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.21 -2.3 45.08 Favored Glycine 0 C--N 1.347 1.172 0 N-CA-C 116.389 1.316 . . . . 50.950000000000003 116.389 -179.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -128.49 167.62 16.82 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 117.905 0.852 . . . . 53.789999999999999 110.005 174.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.4 t -110.66 115.4 29.51 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.844 -0.616 . . . . 49.909999999999997 109.517 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -93.52 -174.08 3.38 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 108.553 -0.906 . . . . 53.469999999999999 108.553 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.62 -40.48 97.02 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 119.701 -0.8 . . . . 51.5 112.459 -171.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.95 -43.7 91.85 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.21 0.528 . . . . 57.799999999999997 109.768 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.83 -35.81 80.9 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.653 -0.703 . . . . 51.600000000000001 111.111 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -64.7 -41.84 95.71 Favored 'General case' 0 C--O 1.256 1.441 0 C-N-CA 120.025 -0.67 . . . . 49.710000000000001 111.694 177.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 83.9 mmm -58.88 -42.04 88.52 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.798 -0.637 . . . . 54.710000000000001 110.018 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.99 85.15 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 111.956 0.354 . . . . 50.020000000000003 111.956 173.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.518 ' CZ ' HD11 ' A' ' 80' ' ' ILE . 18.9 t80 -60.82 -48.41 81.92 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 124.459 1.104 . . . . 52.950000000000003 111.877 175.457 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.2 t -57.86 -43.08 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 120.83 -0.348 . . . . 50.159999999999997 110.412 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.3 97.26 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 112.762 0.653 . . . . 49.479999999999997 112.762 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 mtt -57.8 -47.85 81.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.829 0.823 . . . . 56.759999999999998 111.071 175.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.518 HD11 ' CZ ' ' A' ' 76' ' ' PHE . 46.2 mt -68.61 -45.12 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 107.734 -1.21 . . . . 59.270000000000003 107.734 -174.016 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 42.2 m -57.79 -48.71 78.92 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.012 -0.995 . . . . 48.259999999999998 112.712 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.4 m -58.41 -44.6 89.1 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.878 0.471 . . . . 50.109999999999999 111.154 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.69 93.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.49 0.922 . . . . 51.68 113.49 174.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.51 -42.4 98.48 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 121.151 0.5 . . . . 54.259999999999998 110.472 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -57.4 -50.52 72.73 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.77 -0.65 . . . . 50.93 112.602 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.62 -28.17 63.6 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.865 -0.607 . . . . 55.810000000000002 111.646 -173.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -60.26 -30.8 69.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.864 -0.607 . . . . 51.399999999999999 112.468 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -110.14 18.64 19.77 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 114.926 1.454 . . . . 54.969999999999999 114.926 -164.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 131' ' ' HOH . 90.2 mt-10 . . . . . 0 C--O 1.264 1.841 0 CA-C-N 114.537 -1.211 . . . . 55.560000000000002 108.302 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . 0.602 ' O ' ' HA3' ' A' ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . 0.44 ' O ' ' HG2' ' A' ' 89' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . 0.977 ' O ' ' HB2' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . 0.574 ' O ' ' CD2' ' A' ' 60' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . 0.633 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_