data_4jpr_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 4jpr _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 ' 450' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 1.4 t80 . . . . . 0 N--CA 1.444 -0.726 0 N-CA-C 106.273 -1.751 . . . . 83.95 106.273 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 451' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 450' ' ' TYR . . . -65.19 -39.35 92.72 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.424 -0.798 . . . . 48.77 109.753 172.574 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 452' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.25 -33.44 67.59 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 119.052 -1.059 . . . . 66.23 109.1 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -62.21 -59.03 10.12 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 110.352 -1.099 . . . . 65.44 110.352 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 454' ' ' THR . . . . . . . . . . . . . 53.3 m -56.65 -41.55 77.39 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 121.955 0.884 . . . . 58.76 110.33 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 455' ' ' ALA . . . . . 0.723 ' HB1' HG12 ' A' ' 523' ' ' VAL . . . -66.0 -48.53 70.88 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.996 -1.002 . . . . 40.45 109.148 -173.417 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 456' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -65.91 -32.67 74.3 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.806 -0.634 . . . . 47.0 110.291 -177.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.49 -42.8 91.78 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 118.414 -1.314 . . . . 56.84 112.346 174.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 63.7 m -58.83 -48.63 80.64 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.923 -0.58 . . . . 38.65 111.813 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 68.8 p -68.93 -35.62 77.01 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 117.863 -1.535 . . . . 46.83 110.404 -178.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 460' ' ' SER . . . . . . . . . . . . . 40.7 t -62.1 -47.07 86.26 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.474 -1.676 . . . . 41.65 106.474 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 461' ' ' LEU . . . . . 0.491 HD22 ' C ' ' A' ' 461' ' ' LEU . 10.0 tt -63.56 -48.49 77.26 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 115.369 -0.832 . . . . 51.61 110.714 -176.898 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.5 -34.91 69.56 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 113.258 0.836 . . . . 39.14 113.258 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -58.04 -52.11 54.32 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 109.671 -1.372 . . . . 43.8 109.671 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.22 -43.93 95.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.313 -0.625 . . . . 49.98 109.313 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 19.9 tp -65.68 -39.96 91.85 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 114.761 1.393 . . . . 48.12 114.761 -177.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 466' ' ' LEU . . . . . 0.509 HD23 HG21 ' A' ' 512' ' ' ILE . 4.5 mp -59.71 -46.57 88.7 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.759 0.314 . . . . 61.73 110.331 174.823 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.31 -38.73 87.92 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.791 -0.623 . . . . 46.93 111.082 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 468' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.34 -34.01 72.14 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.116 0.871 . . . . 43.82 110.801 179.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 72.1 t -74.82 -37.71 42.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 113.056 0.761 . . . . 33.88 113.056 -178.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 87.4 m -57.26 -41.34 79.47 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.878 0.847 . . . . 45.47 110.501 171.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 471' ' ' SER . . . . . . . . . . . . . 3.4 t -71.97 -39.32 69.39 Favored 'General case' 0 C--O 1.258 1.544 0 CA-C-O 122.362 1.077 . . . . 39.32 110.586 -176.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 45.6 mt -60.01 -49.37 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-N 114.746 -1.115 . . . . 34.3 110.529 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 473' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -59.03 -42.75 90.94 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.275 0.56 . . . . 63.02 112.114 -177.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 474' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -59.8 -42.77 94.17 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.357 0.598 . . . . 46.87 110.714 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.01 89.31 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.684 0.754 . . . . 18.42 112.449 179.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 93.2 t -66.95 -36.88 78.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 CA-C-O 121.304 0.573 . . . . 22.34 111.0 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 477' ' ' LEU . . . . . 0.47 HD21 ' HG ' ' A' ' 505' ' ' LEU . 15.4 mt -73.1 -36.32 66.76 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 113.111 0.782 . . . . 39.96 113.111 178.217 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -64.06 -40.17 95.69 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.336 -0.852 . . . . 39.61 108.942 170.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -61.2 -47.69 84.97 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 119.154 -1.018 . . . . 16.65 110.0 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -57.83 -43.92 86.1 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.918 1.081 . . . . 27.26 113.918 177.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 481' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.74 75.52 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 114.176 1.176 . . . . 28.82 114.176 172.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.57 90.89 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 122.313 1.054 . . . . 23.25 111.577 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 33.6 mt -56.15 -40.07 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 115.272 -0.876 . . . . 28.84 112.594 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -73.69 -32.39 63.91 Favored 'General case' 0 C--O 1.253 1.237 0 C-N-CA 121.067 -0.253 . . . . 32.36 110.395 -173.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -64.71 -45.47 86.42 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-O 122.69 1.233 . . . . 36.11 110.507 172.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 44.4 mt -57.47 -45.11 85.17 Favored 'General case' 0 CA--C 1.556 1.198 0 O-C-N 119.246 -2.159 . . . . 33.42 115.364 172.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 487' ' ' LEU . . . . . . . . . . . . . 54.8 mt -59.0 -45.13 91.43 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.594 -0.691 . . . . 37.59 109.169 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.0 tp -49.92 -48.94 51.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.517 0.675 . . . . 58.25 110.963 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -70.14 -12.38 61.56 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.476 -0.765 . . . . 49.97 112.611 -175.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 490' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -93.7 3.37 55.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.503 0.557 . . . . 56.0 112.503 170.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 78.7 20.56 70.88 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.764 -0.732 . . . . 64.94 112.023 -177.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 492' ' ' HIS . . . . . 0.411 ' ND1' ' OD2' ' A' ' 496' ' ' ASP . 80.4 m-70 -113.3 151.0 31.7 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.662 1.356 . . . . 59.91 114.662 175.082 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . -100.08 163.59 19.26 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 109.044 -1.622 . . . . 49.58 109.044 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 13.6 p -61.16 -22.57 64.84 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 117.752 0.776 . . . . 43.11 111.893 -174.112 52.989 86.992 89.65 104.635 2.02 115.396 -36.306 -72.276 1 1 . 1 . 001 ecloud orig full ' A' A ' 495' ' ' GLU . . . . . 0.484 ' H ' ' CD ' ' A' ' 495' ' ' GLU . 1.0 OUTLIER -64.78 -10.56 28.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.291 -0.868 . . . . 66.37 111.81 177.111 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 496' ' ' ASP . . . . . 0.411 ' OD2' ' ND1' ' A' ' 492' ' ' HIS . 85.6 m-20 -85.73 -6.63 59.1 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 119.224 -0.99 . . . . 53.6 111.251 -179.477 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 497' ' ' VAL . . . . . . . . . . . . . 14.1 t -136.56 118.97 20.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 122.495 1.141 . . . . 41.35 110.099 -176.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -36.69 113.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.127 -1.397 . . . . 59.52 113.765 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 87.95 -6.82 82.96 Favored Glycine 0 C--N 1.336 0.577 0 O-C-N 124.754 1.284 . . . . 46.41 115.595 173.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 33.2 mmt -77.45 -14.96 59.57 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 118.928 1.364 . . . . 41.26 113.243 -161.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 67.5 m -83.13 -18.06 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.775 0.83 . . . . 47.8 111.546 174.971 -72.276 -36.306 89.65 115.396 2.02 104.635 86.992 52.989 1 1 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 36.8 t -89.39 127.48 35.82 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 118.877 -1.129 . . . . 57.61 113.349 -171.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -124.98 16.6 8.54 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.801 0.81 . . . . 40.47 111.454 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' ASN . . . . . . . . . . . . . . . -114.15 83.45 1.87 Allowed 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 102.504 -3.147 . . . . 55.62 102.504 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' LEU . . . . . 0.47 ' HG ' HD21 ' A' ' 477' ' ' LEU . 10.7 mt -83.54 166.69 18.04 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-N 114.85 -1.068 . . . . 63.18 108.73 174.055 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 25.2 t -55.3 124.79 18.21 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 105.463 -2.051 . . . . 94.04 105.463 172.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' ASP . . . . . 0.528 ' C ' ' H ' ' A' ' 509' ' ' SER . 0.4 OUTLIER -142.26 48.0 1.58 Allowed 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.933 -1.03 . . . . 89.79 109.594 -166.957 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' GLN . . . . . . . . . . . . . . . -71.3 30.84 0.04 OUTLIER 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.454 -0.794 . . . . 106.11 109.065 -175.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' SER . . . . . 0.528 ' H ' ' C ' ' A' ' 507' ' ' ASP . 57.7 m -60.5 -42.25 95.99 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.32 -0.4 . . . . 88.28 111.03 -176.183 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . . . -51.92 -64.03 0.95 Allowed 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 107.928 -1.138 . . . . 82.87 107.928 178.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 48.1 t -53.98 -39.84 66.37 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 114.223 -1.353 . . . . 66.87 112.071 -172.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' ILE . . . . . 0.509 HG21 HD23 ' A' ' 466' ' ' LEU . 71.1 mt -72.62 -42.71 62.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 CA-C-N 115.142 -0.935 . . . . 59.69 111.025 -173.694 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . . . -60.77 -47.41 86.46 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.994 0.426 . . . . 58.83 111.015 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . . . -62.83 -43.41 98.86 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 119.452 -0.899 . . . . 55.92 111.395 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -64.18 -38.59 91.6 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 112.511 0.56 . . . . 56.73 112.511 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.75 -52.69 64.04 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.597 -0.729 . . . . 49.26 109.679 175.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -52.63 -49.32 65.37 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 121.963 -0.46 . . . . 73.58 111.172 175.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . . . -60.82 -33.25 72.73 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.257 -0.646 . . . . 60.01 109.257 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' MET . . . . . . . . . . . . . 39.2 ttm -71.07 -42.93 68.76 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.17 -0.612 . . . . 67.99 110.763 -176.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -62.76 -52.71 62.14 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 108.718 -0.845 . . . . 65.3 108.718 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -58.41 -31.16 67.45 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.927 0.767 . . . . 83.03 110.56 -176.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -82.39 -40.22 21.59 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 108.737 -0.838 . . . . 61.24 108.737 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' VAL . . . . . 0.723 HG12 ' HB1' ' A' ' 455' ' ' ALA . 25.3 t -75.85 -35.92 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.523 -0.762 . . . . 58.54 111.365 -174.564 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -113.77 33.22 5.31 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 114.424 1.268 . . . . 72.23 114.424 -171.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.372 0 N-CA-C 108.54 -0.911 . . . . 86.47 108.54 -178.225 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 706' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 450' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 1.4 t80 . . . . . 0 N--CA 1.444 -0.726 0 N-CA-C 106.273 -1.751 . . . . 69.959999999999994 106.273 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 451' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 450' ' ' TYR . . . -65.19 -39.35 92.72 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.424 -0.798 . . . . 45.840000000000003 109.753 172.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 452' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.25 -33.44 67.59 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 119.052 -1.059 . . . . 58.5 109.1 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -62.21 -59.03 10.12 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 110.352 -1.099 . . . . 54.539999999999999 110.352 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 454' ' ' THR . . . . . . . . . . . . . 53.3 m -56.65 -41.55 77.39 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 121.955 0.884 . . . . 48.969999999999999 110.33 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.53 70.88 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.996 -1.002 . . . . 34.770000000000003 109.148 -173.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 456' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -65.91 -32.67 74.3 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.806 -0.634 . . . . 39.170000000000002 110.291 -177.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.49 -42.8 91.78 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 118.414 -1.314 . . . . 47.369999999999997 112.346 174.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 63.7 m -58.83 -48.63 80.64 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.923 -0.58 . . . . 32.210000000000001 111.813 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 68.8 p -68.93 -35.62 77.01 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 117.863 -1.535 . . . . 39.020000000000003 110.404 -178.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 460' ' ' SER . . . . . . . . . . . . . 40.7 t -62.1 -47.07 86.26 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.474 -1.676 . . . . 34.710000000000001 106.474 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 461' ' ' LEU . . . . . 0.491 ' C ' HD23 ' A' ' 461' ' ' LEU . 10.0 tt -63.56 -48.49 77.26 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 115.369 -0.832 . . . . 43.0 110.714 -176.898 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.5 -34.91 69.56 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 113.258 0.836 . . . . 32.609999999999999 113.258 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -58.04 -52.11 54.32 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 109.671 -1.372 . . . . 37.549999999999997 109.671 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.22 -43.93 95.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.313 -0.625 . . . . 45.920000000000002 109.313 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 19.9 tp -65.68 -39.96 91.85 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 114.761 1.393 . . . . 40.100000000000001 114.761 -177.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 466' ' ' LEU . . . . . 0.527 HD21 HG22 ' A' ' 512' ' ' ILE . 4.5 mp -59.71 -46.57 88.7 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.759 0.314 . . . . 51.439999999999998 110.331 174.823 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.31 -38.73 87.92 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.791 -0.623 . . . . 46.93 111.082 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 468' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.34 -34.01 72.14 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.116 0.871 . . . . 42.670000000000002 110.801 179.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 72.1 t -74.82 -37.71 42.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 113.056 0.761 . . . . 28.239999999999998 113.056 -178.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 87.4 m -57.26 -41.34 79.47 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.878 0.847 . . . . 37.890000000000001 110.501 171.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 471' ' ' SER . . . . . . . . . . . . . 3.4 t -71.97 -39.32 69.39 Favored 'General case' 0 C--O 1.258 1.544 0 CA-C-O 122.362 1.077 . . . . 32.770000000000003 110.586 -176.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 45.6 mt -60.01 -49.37 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-N 114.746 -1.115 . . . . 28.579999999999998 110.529 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 473' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -59.03 -42.75 90.94 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.275 0.56 . . . . 52.520000000000003 112.114 -177.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 474' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -59.8 -42.77 94.17 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.357 0.598 . . . . 39.060000000000002 110.714 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.01 89.31 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.684 0.754 . . . . 15.58 112.449 179.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 93.2 t -66.95 -36.88 78.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 CA-C-O 121.304 0.573 . . . . 18.620000000000001 111.0 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 477' ' ' LEU . . . . . 0.49 HD21 ' HG ' ' A' ' 505' ' ' LEU . 15.4 mt -73.1 -36.32 66.76 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 113.111 0.782 . . . . 33.299999999999997 113.111 178.217 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -64.06 -40.17 95.69 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.336 -0.852 . . . . 33.009999999999998 108.942 170.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -61.2 -47.69 84.97 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 119.154 -1.018 . . . . 13.880000000000001 110.0 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -57.83 -43.92 86.1 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.918 1.081 . . . . 22.719999999999999 113.918 177.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 481' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.74 75.52 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 114.176 1.176 . . . . 28.82 114.176 172.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.57 90.89 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 122.313 1.054 . . . . 20.059999999999999 111.577 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 33.6 mt -56.15 -40.07 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 115.272 -0.876 . . . . 24.030000000000001 112.594 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -73.69 -32.39 63.91 Favored 'General case' 0 C--O 1.253 1.237 0 C-N-CA 121.067 -0.253 . . . . 32.359999999999999 110.395 -173.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -64.71 -45.47 86.42 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-O 122.69 1.233 . . . . 30.09 110.507 172.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 44.4 mt -57.47 -45.11 85.17 Favored 'General case' 0 CA--C 1.556 1.198 0 O-C-N 119.246 -2.159 . . . . 27.850000000000001 115.364 172.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 487' ' ' LEU . . . . . . . . . . . . . 54.8 mt -59.0 -45.13 91.43 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.594 -0.691 . . . . 35.020000000000003 109.169 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.0 tp -49.92 -48.94 51.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.517 0.675 . . . . 48.539999999999999 110.963 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -70.14 -12.38 61.56 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.476 -0.765 . . . . 41.640000000000001 112.611 -175.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 490' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -93.7 3.37 55.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.503 0.557 . . . . 46.670000000000002 112.503 170.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 78.7 20.56 70.88 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.764 -0.732 . . . . 54.119999999999997 112.023 -177.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 492' ' ' HIS . . . . . 0.411 ' ND1' ' OD2' ' A' ' 496' ' ' ASP . 80.4 m-70 -113.3 151.0 31.7 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.662 1.356 . . . . 49.920000000000002 114.662 175.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . -100.08 163.59 19.26 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 109.044 -1.622 . . . . 43.130000000000003 109.044 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 13.6 p -61.16 -22.57 64.84 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 117.752 0.776 . . . . 39.18 111.893 -174.112 52.989 86.992 89.65 104.635 2.02 115.396 -36.306 -72.276 1 1 . 1 . 001 ecloud build full ' A' A ' 495' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 495' ' ' GLU . 1.0 OUTLIER -64.78 -10.56 28.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.291 -0.868 . . . . 61.93 111.81 177.111 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 496' ' ' ASP . . . . . 0.411 ' OD2' ' ND1' ' A' ' 492' ' ' HIS . 85.6 m-20 -85.73 -6.63 59.1 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 119.224 -0.99 . . . . 45.719999999999999 111.251 -179.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 497' ' ' VAL . . . . . . . . . . . . . 14.1 t -136.56 118.97 20.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 122.495 1.141 . . . . 35.420000000000002 110.099 -176.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -36.69 113.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.127 -1.397 . . . . 49.600000000000001 113.765 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 87.95 -6.82 82.96 Favored Glycine 0 C--N 1.336 0.577 0 O-C-N 124.754 1.284 . . . . 38.670000000000002 115.595 173.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 33.2 mmt -77.45 -14.96 59.57 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 118.928 1.364 . . . . 34.380000000000003 113.243 -161.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 67.5 m -83.13 -18.06 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.775 0.83 . . . . 40.039999999999999 111.546 174.971 -72.276 -36.306 89.65 115.396 2.02 104.635 86.992 52.989 1 1 . 1 . 001 ecloud build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 36.8 t -89.39 127.48 35.82 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 118.877 -1.129 . . . . 48.009999999999998 113.349 -171.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 503' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -124.98 16.6 8.54 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.801 0.81 . . . . 40.469999999999999 111.454 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 504' ' ' ASN . . . . . . . . . . . . . . . -114.15 83.45 1.87 Allowed 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 102.504 -3.147 . . . . 55.619999999999997 102.504 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 505' ' ' LEU . . . . . 0.49 ' HG ' HD21 ' A' ' 477' ' ' LEU . 10.7 mt -83.54 166.69 18.04 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-N 114.85 -1.068 . . . . 63.18 108.73 174.055 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 25.2 t -55.3 124.79 18.21 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 105.463 -2.051 . . . . 78.370000000000005 105.463 172.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 507' ' ' ASP . . . . . 0.532 ' C ' ' H ' ' A' ' 509' ' ' SER . 0.4 OUTLIER -142.26 48.0 1.58 Allowed 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.933 -1.03 . . . . 86.269999999999996 109.594 -166.957 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 508' ' ' GLN . . . . . . . . . . . . . . . -71.3 30.84 0.04 OUTLIER 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.454 -0.794 . . . . 106.11 109.065 -175.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 509' ' ' SER . . . . . 0.532 ' H ' ' C ' ' A' ' 507' ' ' ASP . 57.7 m -60.5 -42.25 95.99 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.32 -0.4 . . . . 73.569999999999993 111.03 -176.183 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . . . -51.92 -64.03 0.95 Allowed 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 107.928 -1.138 . . . . 69.560000000000002 107.928 178.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 48.1 t -53.98 -39.84 66.37 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 114.223 -1.353 . . . . 55.719999999999999 112.071 -172.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 512' ' ' ILE . . . . . 0.527 HG22 HD21 ' A' ' 466' ' ' LEU . 71.1 mt -72.62 -42.71 62.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 CA-C-N 115.142 -0.935 . . . . 49.740000000000002 111.025 -173.694 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . . . -60.77 -47.41 86.46 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.994 0.426 . . . . 52.590000000000003 111.015 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . . . -62.83 -43.41 98.86 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 119.452 -0.899 . . . . 54.799999999999997 111.395 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -64.18 -38.59 91.6 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 112.511 0.56 . . . . 47.270000000000003 112.511 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 516' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.75 -52.69 64.04 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.597 -0.729 . . . . 41.049999999999997 109.679 175.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 517' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -52.63 -49.32 65.37 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 121.963 -0.46 . . . . 63.530000000000001 111.172 175.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . . . -60.82 -33.25 72.73 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.257 -0.646 . . . . 50.009999999999998 109.257 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 519' ' ' MET . . . . . . . . . . . . . 39.2 ttm -71.07 -42.93 68.76 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.17 -0.612 . . . . 56.659999999999997 110.763 -176.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -62.76 -52.71 62.14 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 108.718 -0.845 . . . . 54.409999999999997 108.718 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -58.41 -31.16 67.45 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.927 0.767 . . . . 73.760000000000005 110.56 -176.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -82.39 -40.22 21.59 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 108.737 -0.838 . . . . 51.039999999999999 108.737 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 25.3 t -75.85 -35.92 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.523 -0.762 . . . . 58.539999999999999 111.365 -174.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 524' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -113.77 33.22 5.31 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 114.424 1.268 . . . . 72.230000000000004 114.424 -171.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 525' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.372 0 N-CA-C 108.54 -0.911 . . . . 86.469999999999999 108.54 -178.225 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 601' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 706' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 450' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 1.4 t80 . . . . . 0 N--CA 1.444 -0.726 0 N-CA-C 106.273 -1.751 . . . . 69.959999999999994 106.273 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 450' ' ' TYR . . . -65.19 -39.35 92.72 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.424 -0.798 . . . . 45.840000000000003 109.753 172.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 452' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.25 -33.44 67.59 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 119.052 -1.059 . . . . 58.5 109.1 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -62.21 -59.03 10.12 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 110.352 -1.099 . . . . 54.539999999999999 110.352 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 454' ' ' THR . . . . . . . . . . . . . 53.3 m -56.65 -41.55 77.39 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 121.955 0.884 . . . . 48.969999999999999 110.33 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.53 70.88 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.996 -1.002 . . . . 34.770000000000003 109.148 -173.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 456' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -65.91 -32.67 74.3 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.806 -0.634 . . . . 39.170000000000002 110.291 -177.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.49 -42.8 91.78 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 118.414 -1.314 . . . . 47.369999999999997 112.346 174.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 63.7 m -58.83 -48.63 80.64 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.923 -0.58 . . . . 32.210000000000001 111.813 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 459' ' ' THR . . . . . . . . . . . . . 68.8 p -68.93 -35.62 77.01 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 117.863 -1.535 . . . . 39.020000000000003 110.404 -178.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 460' ' ' SER . . . . . . . . . . . . . 40.7 t -62.1 -47.07 86.26 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.474 -1.676 . . . . 34.710000000000001 106.474 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 461' ' ' LEU . . . . . 0.491 ' C ' HD23 ' A' ' 461' ' ' LEU . 10.0 tt -63.56 -48.49 77.26 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 115.369 -0.832 . . . . 43.0 110.714 -176.898 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.5 -34.91 69.56 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 113.258 0.836 . . . . 32.609999999999999 113.258 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -58.04 -52.11 54.32 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 109.671 -1.372 . . . . 37.549999999999997 109.671 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.22 -43.93 95.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.313 -0.625 . . . . 45.920000000000002 109.313 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 19.9 tp -65.68 -39.96 91.85 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 114.761 1.393 . . . . 40.100000000000001 114.761 -177.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.527 HD21 HG22 ' A' ' 512' ' ' ILE . 4.5 mp -59.71 -46.57 88.7 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 120.759 0.314 . . . . 51.439999999999998 110.331 174.823 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.31 -38.73 87.92 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.791 -0.623 . . . . 46.93 111.082 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 468' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.34 -34.01 72.14 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.116 0.871 . . . . 42.670000000000002 110.801 179.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 72.1 t -74.82 -37.71 42.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 113.056 0.761 . . . . 28.239999999999998 113.056 -178.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 87.4 m -57.26 -41.34 79.47 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.878 0.847 . . . . 37.890000000000001 110.501 171.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 471' ' ' SER . . . . . . . . . . . . . 3.4 t -71.97 -39.32 69.39 Favored 'General case' 0 C--O 1.258 1.544 0 CA-C-O 122.362 1.077 . . . . 32.770000000000003 110.586 -176.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 45.6 mt -60.01 -49.37 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-N 114.746 -1.115 . . . . 28.579999999999998 110.529 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 473' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -59.03 -42.75 90.94 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.275 0.56 . . . . 52.520000000000003 112.114 -177.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 474' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -59.8 -42.77 94.17 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.357 0.598 . . . . 39.060000000000002 110.714 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 475' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.01 89.31 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.684 0.754 . . . . 15.58 112.449 179.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 93.2 t -66.95 -36.88 78.25 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 CA-C-O 121.304 0.573 . . . . 18.620000000000001 111.0 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.49 HD21 ' HG ' ' A' ' 505' ' ' LEU . 15.4 mt -73.1 -36.32 66.76 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 113.111 0.782 . . . . 33.299999999999997 113.111 178.217 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -64.06 -40.17 95.69 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 121.336 -0.852 . . . . 33.009999999999998 108.942 170.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 479' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -61.2 -47.69 84.97 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 119.154 -1.018 . . . . 13.880000000000001 110.0 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -57.83 -43.92 86.1 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.918 1.081 . . . . 22.719999999999999 113.918 177.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 481' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.74 75.52 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 114.176 1.176 . . . . 28.82 114.176 172.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.57 90.89 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 122.313 1.054 . . . . 20.059999999999999 111.577 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 33.6 mt -56.15 -40.07 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 115.272 -0.876 . . . . 24.030000000000001 112.594 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -73.69 -32.39 63.91 Favored 'General case' 0 C--O 1.253 1.237 0 C-N-CA 121.067 -0.253 . . . . 32.359999999999999 110.395 -173.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -64.71 -45.47 86.42 Favored 'General case' 0 C--O 1.212 -0.907 0 CA-C-O 122.69 1.233 . . . . 30.09 110.507 172.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 44.4 mt -57.47 -45.11 85.17 Favored 'General case' 0 CA--C 1.556 1.198 0 O-C-N 119.246 -2.159 . . . . 27.850000000000001 115.364 172.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 487' ' ' LEU . . . . . . . . . . . . . 54.8 mt -59.0 -45.13 91.43 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.594 -0.691 . . . . 35.020000000000003 109.169 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.0 tp -49.92 -48.94 51.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.517 0.675 . . . . 48.539999999999999 110.963 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -70.14 -12.38 61.56 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.476 -0.765 . . . . 41.640000000000001 112.611 -175.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 490' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -93.7 3.37 55.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.503 0.557 . . . . 46.670000000000002 112.503 170.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 78.7 20.56 70.88 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.764 -0.732 . . . . 54.119999999999997 112.023 -177.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 492' ' ' HIS . . . . . 0.411 ' ND1' ' OD2' ' A' ' 496' ' ' ASP . 80.4 m-70 -113.3 151.0 31.7 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.662 1.356 . . . . 49.920000000000002 114.662 175.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 493' ' ' GLY . . . . . . . . . . . . . . . -100.08 163.59 19.26 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 109.044 -1.622 . . . . 43.130000000000003 109.044 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 13.6 p -61.16 -22.57 64.84 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 117.752 0.776 . . . . 39.18 111.893 -174.112 52.989 86.992 89.65 104.635 2.02 115.396 -36.306 -72.276 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 495' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 495' ' ' GLU . 1.0 OUTLIER -64.78 -10.56 28.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.291 -0.868 . . . . 61.93 111.81 177.111 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 496' ' ' ASP . . . . . 0.411 ' OD2' ' ND1' ' A' ' 492' ' ' HIS . 85.6 m-20 -85.73 -6.63 59.1 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 119.224 -0.99 . . . . 45.719999999999999 111.251 -179.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 497' ' ' VAL . . . . . . . . . . . . . 14.1 t -136.56 118.97 20.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 122.495 1.141 . . . . 35.420000000000002 110.099 -176.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -36.69 113.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.127 -1.397 . . . . 49.600000000000001 113.765 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 87.95 -6.82 82.96 Favored Glycine 0 C--N 1.336 0.577 0 O-C-N 124.754 1.284 . . . . 38.670000000000002 115.595 173.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' MET . . . . . . . . . . . . . 33.2 mmt -77.45 -14.96 59.57 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 118.928 1.364 . . . . 34.380000000000003 113.243 -161.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 67.5 m -83.13 -18.06 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.775 0.83 . . . . 40.039999999999999 111.546 174.971 -72.276 -36.306 89.65 115.396 2.02 104.635 86.992 52.989 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 36.8 t -89.39 127.48 35.82 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 118.877 -1.129 . . . . 48.009999999999998 113.349 -171.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -124.98 16.6 8.54 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.801 0.81 . . . . 40.469999999999999 111.454 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' ASN . . . . . . . . . . . . . . . -114.15 83.45 1.87 Allowed 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 102.504 -3.147 . . . . 55.619999999999997 102.504 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.49 ' HG ' HD21 ' A' ' 477' ' ' LEU . 10.7 mt -83.54 166.69 18.04 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-N 114.85 -1.068 . . . . 63.18 108.73 174.055 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' SER . . . . . . . . . . . . . 25.2 t -55.3 124.79 18.21 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 105.463 -2.051 . . . . 78.370000000000005 105.463 172.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.532 ' C ' ' H ' ' A' ' 509' ' ' SER . 0.4 OUTLIER -142.26 48.0 1.58 Allowed 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.933 -1.03 . . . . 86.269999999999996 109.594 -166.957 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' GLN . . . . . . . . . . . . . . . -71.3 30.84 0.04 OUTLIER 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.454 -0.794 . . . . 106.11 109.065 -175.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' SER . . . . . 0.532 ' H ' ' C ' ' A' ' 507' ' ' ASP . 57.7 m -60.5 -42.25 95.99 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.32 -0.4 . . . . 73.569999999999993 111.03 -176.183 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . . . -51.92 -64.03 0.95 Allowed 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 107.928 -1.138 . . . . 69.560000000000002 107.928 178.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 48.1 t -53.98 -39.84 66.37 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 114.223 -1.353 . . . . 55.719999999999999 112.071 -172.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.527 HG22 HD21 ' A' ' 466' ' ' LEU . 71.1 mt -72.62 -42.71 62.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 CA-C-N 115.142 -0.935 . . . . 49.740000000000002 111.025 -173.694 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . . . -60.77 -47.41 86.46 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.994 0.426 . . . . 52.590000000000003 111.015 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . . . -62.83 -43.41 98.86 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 119.452 -0.899 . . . . 54.799999999999997 111.395 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -64.18 -38.59 91.6 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 112.511 0.56 . . . . 47.270000000000003 112.511 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.75 -52.69 64.04 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.597 -0.729 . . . . 41.049999999999997 109.679 175.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -52.63 -49.32 65.37 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 121.963 -0.46 . . . . 63.530000000000001 111.172 175.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . . . -60.82 -33.25 72.73 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 109.257 -0.646 . . . . 50.009999999999998 109.257 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' MET . . . . . . . . . . . . . 39.2 ttm -71.07 -42.93 68.76 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.17 -0.612 . . . . 56.659999999999997 110.763 -176.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -62.76 -52.71 62.14 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 108.718 -0.845 . . . . 54.409999999999997 108.718 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -58.41 -31.16 67.45 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.927 0.767 . . . . 73.760000000000005 110.56 -176.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -82.39 -40.22 21.59 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 108.737 -0.838 . . . . 51.039999999999999 108.737 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 25.3 t -75.85 -35.92 31.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.523 -0.762 . . . . 58.539999999999999 111.365 -174.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -113.77 33.22 5.31 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 114.424 1.268 . . . . 72.230000000000004 114.424 -171.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.372 0 N-CA-C 108.54 -0.911 . . . . 86.469999999999999 108.54 -178.225 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 706' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_