data_1knt_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 1knt _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 ' 2' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.275 -0.639 . . . . 35.06 109.275 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -56.97 -21.02 27.1 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.933 0.397 . . . . 37.1 110.096 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.7 mm -54.84 -43.59 68.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.068 0.461 . . . . 19.7 110.315 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 79.4 m -67.8 -13.4 62.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.649 1.351 . . . . 14.86 114.649 -178.852 -59.06 -86.947 -78.6 103.029 2.023 102.281 -62.832 -68.522 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -101.52 0.07 35.92 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 112.684 0.624 . . . . 31.13 112.684 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.35 145.03 99.12 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 106.725 -1.583 . . . . 15.19 106.725 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -72.96 156.85 52.02 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 117.603 -1.131 . . . . 17.87 113.348 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -56.41 131.37 48.18 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.698 -1.223 . . . . 33.63 107.698 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -130.08 100.34 5.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.909 0.385 . . . . 22.75 110.493 -178.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.09 -14.3 62.87 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.272 0.841 . . . . 30.86 113.272 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.77 -151.09 47.56 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 119.962 -1.113 . . . . 14.1 113.11 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -144.97 -172.1 3.78 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.727 -1.212 . . . . 20.08 107.727 -178.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.4 m 83.28 175.21 0.08 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.46 -1.311 . . . . 16.12 107.46 -176.044 -71.982 151.995 -87.164 103.001 2.026 103.296 130.923 -53.912 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -122.52 21.29 10.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 116.994 2.22 . . . . 39.01 116.994 -176.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -91.36 63.71 4.95 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 119.573 -0.851 . . . . 28.81 110.033 173.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -58.98 130.54 47.51 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 116.475 2.028 . . . . 15.59 116.475 -174.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 tt -143.79 135.06 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 107.209 -1.404 . . . . 15.51 107.209 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.72 122.91 23.12 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.271 -0.64 . . . . 14.68 109.271 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -126.33 176.83 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.428 -0.953 . . . . 14.79 108.428 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -124.81 142.99 51.05 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.77 -0.65 . . . . 8.74 109.352 178.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -132.45 156.45 46.72 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 106.325 -1.731 . . . . 15.82 106.325 177.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -90.56 130.57 36.59 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 115.78 -0.645 . . . . 16.54 109.891 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -106.26 108.72 62.27 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 106.204 -1.776 . . . . 13.38 106.204 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.17 -18.51 50.95 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 N-CA-C 114.279 0.838 . . . . 16.31 114.279 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -75.98 -32.59 59.53 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.926 0.713 . . . . 16.24 112.926 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.1 p -103.47 -9.22 19.52 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.101 -0.703 . . . . 12.91 109.101 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 58.9 40.15 22.97 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.047 -0.524 . . . . 35.87 111.065 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.3 p -153.34 166.44 32.61 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 108.986 -0.746 . . . . 13.82 108.986 178.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.0 m -94.58 148.12 22.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.448 0.468 . . . . 9.96 111.265 -179.552 -64.244 -117.882 -88.646 103.84 2.03 103.558 -90.943 178.026 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.72 161.61 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.242 -0.651 . . . . 9.93 109.242 179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -84.37 149.01 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.805 1.039 . . . . 35.04 113.805 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -155.76 152.66 28.76 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.949 -0.76 . . . . 7.9 108.949 175.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -90.54 122.88 33.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.474 -0.784 . . . . 10.58 109.354 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -107.12 131.47 54.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.162 -1.051 . . . . 14.92 108.162 178.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.86 -20.18 71.27 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 111.443 -0.663 . . . . 10.54 111.443 -173.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.49 -14.34 15.29 Favored Glycine 0 C--O 1.24 0.504 0 O-C-N 119.76 -2.024 . . . . 12.71 114.824 -179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.4 m -137.8 157.94 45.39 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.263 0.554 . . . . 16.06 112.049 179.306 -53.912 130.923 -87.164 103.296 2.026 103.001 151.995 -71.982 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.19 30.63 64.42 Favored Glycine 0 N--CA 1.48 1.618 0 CA-C-N 113.968 -1.469 . . . . 19.37 116.387 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.13 -167.25 42.79 Favored Glycine 0 CA--C 1.538 1.513 0 O-C-N 119.593 -2.122 . . . . 17.5 111.006 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -128.81 -173.16 2.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.567 -0.531 . . . . 14.51 109.567 176.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -80.68 -13.78 58.71 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.358 0.873 . . . . 32.29 113.358 -173.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -80.89 71.79 7.86 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 105.81 -1.922 . . . . 8.81 105.81 178.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -157.46 121.7 4.28 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.787 -1.19 . . . . 17.35 107.787 -176.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -129.59 155.61 45.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.726 0.81 . . . . 6.34 112.592 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.12 -16.71 76.02 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 116.079 1.192 . . . . 10.75 116.079 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.2 p -145.17 156.99 44.19 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 118.037 0.919 . . . . 9.18 109.874 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.6 -39.12 91.2 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.23 -0.588 . . . . 17.75 109.459 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.64 -44.86 90.2 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 113.242 0.83 . . . . 34.34 113.242 179.877 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.85 -42.29 85.94 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.434 -0.507 . . . . 18.67 110.199 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.68 -43.65 93.94 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.153 0.502 . . . . 6.72 110.163 179.584 178.026 -90.943 -88.646 103.558 2.03 103.84 -117.882 -64.244 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -66.55 -40.77 89.21 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 112.382 0.512 . . . . 14.25 112.382 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -60.03 -48.76 80.39 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.045 0.45 . . . . 26.94 110.718 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.5 t -73.54 -35.93 46.35 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 N-CA-C 112.285 0.476 . . . . 11.95 112.285 -174.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 92.7 m -115.27 -27.82 7.12 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 117.377 -1.729 . . . . 14.75 112.629 -167.83 -68.522 -62.832 -78.6 102.281 2.023 103.029 -86.947 -59.06 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.423 0 O-C-N 116.839 -3.663 . . . . 27.85 113.239 -176.254 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 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 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.275 -0.639 . . . . 35.06 109.275 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -56.97 -21.02 27.1 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.933 0.397 . . . . 37.1 110.096 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 42' ' ' GLU . 25.7 mm -54.84 -43.59 68.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.068 0.461 . . . . 19.7 110.315 177.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 79.4 m -67.8 -13.4 62.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.649 1.351 . . . . 14.86 114.649 -178.852 -59.06 -86.947 -78.6 103.029 2.023 102.281 -62.832 -68.522 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -101.52 0.07 35.92 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 112.684 0.624 . . . . 31.13 112.684 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.35 145.03 99.12 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 106.725 -1.583 . . . . 15.19 106.725 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -72.96 156.85 52.02 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 117.603 -1.131 . . . . 17.87 113.348 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 33' ' ' PHE . 44.0 tttt -56.41 131.37 48.18 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.698 -1.223 . . . . 33.63 107.698 177.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -130.08 100.34 5.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.909 0.385 . . . . 22.75 110.493 -178.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.09 -14.3 62.87 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.272 0.841 . . . . 30.86 113.272 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.77 -151.09 47.56 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 119.962 -1.113 . . . . 14.1 113.11 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 14.9 t -144.97 -172.1 3.78 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.727 -1.212 . . . . 20.08 107.727 -178.179 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 13' ' ' THR . 68.4 m 83.28 175.21 0.08 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.46 -1.311 . . . . 16.12 107.46 -176.044 -71.982 151.995 -87.164 103.001 2.026 103.296 130.923 -53.912 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -122.52 21.29 10.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 116.994 2.22 . . . . 39.01 116.994 -176.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -91.36 63.71 4.95 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 119.573 -0.851 . . . . 28.81 110.033 173.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -58.98 130.54 47.51 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 116.475 2.028 . . . . 15.59 116.475 -174.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 tt -143.79 135.06 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 107.209 -1.404 . . . . 15.51 107.209 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.72 122.91 23.12 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.271 -0.64 . . . . 14.68 109.271 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -126.33 176.83 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.428 -0.953 . . . . 14.79 108.428 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -124.81 142.99 51.05 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.77 -0.65 . . . . 8.74 109.352 178.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -132.45 156.45 46.72 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 106.325 -1.731 . . . . 15.82 106.325 177.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -90.56 130.57 36.59 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 115.78 -0.645 . . . . 16.54 109.891 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -106.26 108.72 62.27 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 106.204 -1.776 . . . . 13.38 106.204 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.17 -18.51 50.95 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 N-CA-C 114.279 0.838 . . . . 16.31 114.279 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -75.98 -32.59 59.53 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.926 0.713 . . . . 16.24 112.926 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.1 p -103.47 -9.22 19.52 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.101 -0.703 . . . . 12.91 109.101 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 58.9 40.15 22.97 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.047 -0.524 . . . . 35.87 111.065 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.3 p -153.34 166.44 32.61 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 108.986 -0.746 . . . . 13.82 108.986 178.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.0 m -94.58 148.12 22.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.448 0.468 . . . . 9.96 111.265 -179.552 -64.244 -117.882 -88.646 103.84 2.03 103.558 -90.943 178.026 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.72 161.61 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.242 -0.651 . . . . 9.93 109.242 179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -84.37 149.01 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.805 1.039 . . . . 35.04 113.805 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 16.6 p90 -155.76 152.66 28.76 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.949 -0.76 . . . . 7.9 108.949 175.436 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -90.54 122.88 33.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.474 -0.784 . . . . 10.58 109.354 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -107.12 131.47 54.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.162 -1.051 . . . . 14.92 108.162 178.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.86 -20.18 71.27 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 111.443 -0.663 . . . . 10.54 111.443 -173.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.49 -14.34 15.29 Favored Glycine 0 C--O 1.24 0.504 0 O-C-N 119.76 -2.024 . . . . 12.71 114.824 -179.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.4 m -137.8 157.94 45.39 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.263 0.554 . . . . 16.06 112.049 179.306 -53.912 130.923 -87.164 103.296 2.026 103.001 151.995 -71.982 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.19 30.63 64.42 Favored Glycine 0 N--CA 1.48 1.618 0 CA-C-N 113.968 -1.469 . . . . 19.37 116.387 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.13 -167.25 42.79 Favored Glycine 0 CA--C 1.538 1.513 0 O-C-N 119.593 -2.122 . . . . 17.5 111.006 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -128.81 -173.16 2.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.567 -0.531 . . . . 14.51 109.567 176.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' HB2' HG23 ' A' ' 4' ' ' ILE . 4.5 mm-40 -80.68 -13.78 58.71 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.358 0.873 . . . . 32.29 113.358 -173.792 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -80.89 71.79 7.86 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 105.81 -1.922 . . . . 8.81 105.81 178.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -157.46 121.7 4.28 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.787 -1.19 . . . . 17.35 107.787 -176.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -129.59 155.61 45.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.726 0.81 . . . . 6.34 112.592 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.12 -16.71 76.02 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 116.079 1.192 . . . . 10.75 116.079 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.2 p -145.17 156.99 44.19 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 118.037 0.919 . . . . 9.18 109.874 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -65.6 -39.12 91.2 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.23 -0.588 . . . . 17.75 109.459 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HE2' ' O ' ' A' ' 230' ' ' HOH . 1.0 OUTLIER -58.64 -44.86 90.2 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 113.242 0.83 . . . . 34.34 113.242 179.877 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.85 -42.29 85.94 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.434 -0.507 . . . . 18.67 110.199 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.68 -43.65 93.94 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.153 0.502 . . . . 6.72 110.163 179.584 178.026 -90.943 -88.646 103.558 2.03 103.84 -117.882 -64.244 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -66.55 -40.77 89.21 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 112.382 0.512 . . . . 14.25 112.382 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -60.03 -48.76 80.39 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.045 0.45 . . . . 26.94 110.718 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.5 t -73.54 -35.93 46.35 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 N-CA-C 112.285 0.476 . . . . 11.95 112.285 -174.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 92.7 m -115.27 -27.82 7.12 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 117.377 -1.729 . . . . 14.75 112.629 -167.83 -68.522 -62.832 -78.6 102.281 2.023 103.029 -86.947 -59.06 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.423 0 O-C-N 116.839 -3.663 . . . . 27.85 113.239 -176.254 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.487 ' O ' ' HG2' ' A' ' 42' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud 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 . . . . . 0.538 ' O ' ' HE2' ' A' ' 49' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.275 -0.639 . . . . 35.06 109.275 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -56.97 -21.02 27.1 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.933 0.397 . . . . 37.1 110.096 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 42' ' ' GLU . 25.7 mm -54.84 -43.59 68.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.068 0.461 . . . . 19.7 110.315 177.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 79.4 m -67.8 -13.4 62.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.649 1.351 . . . . 14.86 114.649 -178.852 -59.06 -86.947 -78.6 103.029 2.023 102.281 -62.832 -68.522 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -101.52 0.07 35.92 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 112.684 0.624 . . . . 31.13 112.684 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.2 mt -65.35 145.03 99.12 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 106.725 -1.583 . . . . 15.19 106.725 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -72.96 156.85 52.02 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 117.603 -1.131 . . . . 17.87 113.348 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 33' ' ' PHE . 44.0 tttt -56.41 131.37 48.18 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.698 -1.223 . . . . 33.63 107.698 177.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -130.08 100.34 5.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.909 0.385 . . . . 22.75 110.493 -178.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.09 -14.3 62.87 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.272 0.841 . . . . 30.86 113.272 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.77 -151.09 47.56 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 119.962 -1.113 . . . . 14.1 113.11 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 14.9 t -144.97 -172.1 3.78 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.727 -1.212 . . . . 20.08 107.727 -178.179 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 13' ' ' THR . 68.4 m 83.28 175.21 0.08 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.46 -1.311 . . . . 16.12 107.46 -176.044 -71.982 151.995 -87.164 103.001 2.026 103.296 130.923 -53.912 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -122.52 21.29 10.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 116.994 2.22 . . . . 39.01 116.994 -176.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -91.36 63.71 4.95 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 119.573 -0.851 . . . . 28.81 110.033 173.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -58.98 130.54 47.51 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 116.475 2.028 . . . . 15.59 116.475 -174.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 tt -143.79 135.06 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 107.209 -1.404 . . . . 15.51 107.209 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.72 122.91 23.12 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.271 -0.64 . . . . 14.68 109.271 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -126.33 176.83 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.428 -0.953 . . . . 14.79 108.428 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -124.81 142.99 51.05 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.77 -0.65 . . . . 8.74 109.352 178.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -132.45 156.45 46.72 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 106.325 -1.731 . . . . 15.82 106.325 177.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -90.56 130.57 36.59 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 115.78 -0.645 . . . . 16.54 109.891 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -106.26 108.72 62.27 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 106.204 -1.776 . . . . 13.38 106.204 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.17 -18.51 50.95 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 N-CA-C 114.279 0.838 . . . . 16.31 114.279 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -75.98 -32.59 59.53 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.926 0.713 . . . . 16.24 112.926 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.1 p -103.47 -9.22 19.52 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.101 -0.703 . . . . 12.91 109.101 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 58.9 40.15 22.97 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.047 -0.524 . . . . 35.87 111.065 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.3 p -153.34 166.44 32.61 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 108.986 -0.746 . . . . 13.82 108.986 178.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.0 m -94.58 148.12 22.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.448 0.468 . . . . 9.96 111.265 -179.552 -64.244 -117.882 -88.646 103.84 2.03 103.558 -90.943 178.026 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.72 161.61 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.242 -0.651 . . . . 9.93 109.242 179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -84.37 149.01 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.805 1.039 . . . . 35.04 113.805 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 16.6 p90 -155.76 152.66 28.76 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.949 -0.76 . . . . 7.9 108.949 175.436 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -90.54 122.88 33.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.474 -0.784 . . . . 10.58 109.354 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -107.12 131.47 54.09 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.162 -1.051 . . . . 14.92 108.162 178.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.86 -20.18 71.27 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 111.443 -0.663 . . . . 10.54 111.443 -173.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.49 -14.34 15.29 Favored Glycine 0 C--O 1.24 0.504 0 O-C-N 119.76 -2.024 . . . . 12.71 114.824 -179.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.4 m -137.8 157.94 45.39 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.263 0.554 . . . . 16.06 112.049 179.306 -53.912 130.923 -87.164 103.296 2.026 103.001 151.995 -71.982 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.19 30.63 64.42 Favored Glycine 0 N--CA 1.48 1.618 0 CA-C-N 113.968 -1.469 . . . . 19.37 116.387 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.13 -167.25 42.79 Favored Glycine 0 CA--C 1.538 1.513 0 O-C-N 119.593 -2.122 . . . . 17.5 111.006 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -128.81 -173.16 2.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.567 -0.531 . . . . 14.51 109.567 176.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' HB2' HG23 ' A' ' 4' ' ' ILE . 4.5 mm-40 -80.68 -13.78 58.71 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.358 0.873 . . . . 32.29 113.358 -173.792 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -80.89 71.79 7.86 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 105.81 -1.922 . . . . 8.81 105.81 178.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -157.46 121.7 4.28 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.787 -1.19 . . . . 17.35 107.787 -176.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -129.59 155.61 45.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.726 0.81 . . . . 6.34 112.592 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.12 -16.71 76.02 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 116.079 1.192 . . . . 10.75 116.079 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.2 p -145.17 156.99 44.19 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 118.037 0.919 . . . . 9.18 109.874 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.6 -39.12 91.2 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.23 -0.588 . . . . 17.75 109.459 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HE2' ' O ' ' A' ' 230' ' ' HOH . 1.0 OUTLIER -58.64 -44.86 90.2 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 113.242 0.83 . . . . 34.34 113.242 179.877 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.85 -42.29 85.94 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.434 -0.507 . . . . 18.67 110.199 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.68 -43.65 93.94 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.153 0.502 . . . . 6.72 110.163 179.584 178.026 -90.943 -88.646 103.558 2.03 103.84 -117.882 -64.244 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -66.55 -40.77 89.21 Favored 'General case' 0 C--O 1.223 -0.321 0 N-CA-C 112.382 0.512 . . . . 14.25 112.382 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -60.03 -48.76 80.39 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.045 0.45 . . . . 26.94 110.718 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.5 t -73.54 -35.93 46.35 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 N-CA-C 112.285 0.476 . . . . 11.95 112.285 -174.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 92.7 m -115.27 -27.82 7.12 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 117.377 -1.729 . . . . 14.75 112.629 -167.83 -68.522 -62.832 -78.6 102.281 2.023 103.029 -86.947 -59.06 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.423 0 O-C-N 116.839 -3.663 . . . . 27.85 113.239 -176.254 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.487 ' O ' ' HG2' ' A' ' 42' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 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 . . . . . 0.538 ' O ' ' HE2' ' A' ' 49' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_