data_1hlz_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 1hlz _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 ' C' C ' 600' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.53 0.67 0 O5'-C5'-C4' 114.051 2.751 . . . . 79.53 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 601' ' ' ' DA' . . . . . 0.443 ' N6 ' ' O4 ' ' D' ' 638' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.119 0 C5'-C4'-C3' 112.235 -1.644 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 602' ' ' ' DA' . . . . . 0.465 " C1'" ' OP1' ' C' ' 603' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.419 -1.336 0 C2'-C3'-O3' 116.693 2.257 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 603' ' ' ' DC' . . . . . 0.465 ' OP1' " C1'" ' C' ' 602' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.42 -1.256 0 N19-C1'-C2' 109.57 -2.894 . . . . 78.4 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 604' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.41 -1.851 0 C4'-C3'-O3' 106.99 -1.504 . . . . 65.28 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 605' ' ' ' DA' . . . . . 0.544 " C2'" " C5'" ' C' ' 606' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.4 -2.47 0 C5'-C4'-C3' 110.743 -2.638 . . . . 49.06 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 606' ' ' ' DG' . . . . . 0.551 ' N2 ' ' O2 ' ' D' ' 634' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.418 -1.401 0 C5'-C4'-O4' 105.371 -2.518 . . . . 66.89 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 607' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.618 0.939 0 C5'-C4'-C3' 111.506 -2.129 . . . . 69.58 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 608' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.513 -1.463 0 C5'-C4'-C3' 111.007 -2.462 . . . . 57.28 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 609' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.315 0 N19-C1'-C2' 118.175 2.484 . . . . 45.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 610' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.413 -1.664 0 C4'-C3'-O3' 106.887 -1.551 . . . . 53.97 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 611' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.411 -1.811 1 N19-C1'-C2' 107.527 -4.17 . . . . 45.68 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 612' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.474 0 C3'-C2'-C1' 98.241 -3.185 . . . . 43.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 613' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.408 -1.985 0 C5'-C4'-C3' 109.557 -3.428 . . . . 63.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 614' ' ' ' DG' . . . . . 0.507 ' N2 ' ' O2 ' ' D' ' 626' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.401 -2.427 0 C5'-C4'-O4' 112.312 1.82 . . . . 60.65 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 615' ' ' ' DG' . . . . . 0.766 ' N7 ' ' NH2' ' A' ' 26' ' ' ARG . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 C5'-C4'-C3' 111.201 -2.333 . . . . 62.14 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 616' ' ' ' DT' . . . . . 0.567 ' N3 ' ' N1 ' ' D' ' 624' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.41 -1.889 0 C5'-C4'-C3' 112.027 -1.782 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 617' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.413 -1.697 0 C3'-C2'-C1' 99.847 -2.038 . . . . 79.53 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 618' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.412 -1.485 0 C5'-C4'-C3' 112.218 -1.654 . . . . 80.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 619' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.589 -1.525 0 O4'-C1'-N19 109.906 2.632 . . . . 80.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 621' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.444 0.997 0 C3'-C2'-C1' 104.992 1.637 . . . . 79.7 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 622' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.524 0 O4'-C4'-C3' 106.877 1.277 . . . . 61.09 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 623' ' ' ' DG' . . . . . 0.468 ' N7 ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . 0 O5'--C5' 1.403 -2.307 0 C3'-C2'-C1' 99.364 -2.383 . . . . 63.77 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 624' ' ' ' DA' . . . . . 0.567 ' N1 ' ' N3 ' ' C' ' 616' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.42 -1.237 0 O4'-C1'-N19 106.295 -1.881 . . . . 69.47 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 625' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.411 -1.836 0 C5'-C4'-O4' 105.4 -2.5 . . . . 68.16 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 626' ' ' ' DC' . . . . . 0.507 ' O2 ' ' N2 ' ' C' ' 614' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.415 -1.587 0 C5'-C4'-O4' 105.033 -2.729 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 627' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.528 0 C3'-C2'-C1' 100.734 -1.404 . . . . 78.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 628' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.599 0.576 0 C3'-C2'-C1' 100.67 -1.45 . . . . 80.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 629' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.378 0 O3'-P-O5' 106.339 1.231 . . . . 62.45 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 630' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.671 0 O5'-P-OP2 105.013 -1.217 . . . . 44.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 631' ' ' ' DG' . . . . . 0.459 ' N7 ' ' NH2' ' B' ' 27' ' ' ARG . . . . . . . . 0 P--O3' 1.59 -1.437 0 C3'-C2'-C1' 98.809 -2.779 . . . . 34.12 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 632' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.353 0 N19-C1'-C2' 115.957 1.098 . . . . 51.53 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 633' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.411 -1.826 0 C5'-C4'-O4' 104.093 -3.317 . . . . 53.28 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 634' ' ' ' DC' . . . . . 0.551 ' O2 ' ' N2 ' ' C' ' 606' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.413 -1.688 0 O4'-C1'-N19 106.242 -1.948 . . . . 51.23 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 635' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.411 -1.785 0 C3'-C2'-C1' 100.613 -1.491 . . . . 52.38 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 636' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O3'-P-O5' 101.769 -1.174 . . . . 67.69 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 637' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.412 -1.772 0 C5'-C4'-O4' 105.942 -2.161 . . . . 68.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 638' ' ' ' DT' . . . . . 0.443 ' O4 ' ' N6 ' ' C' ' 601' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.413 -1.667 0 C5'-C4'-C3' 111.212 -2.326 . . . . 72.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 639' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.401 -2.427 0 C5'-C4'-C3' 110.595 -2.737 . . . . 71.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 640' ' ' ' DG' . . . . . 0.411 " C2'" " O5'" ' D' ' 640' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.415 -1.584 0 C5'-C4'-C3' 111.55 -2.1 . . . . 72.76 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.337 -0.246 . . . . 68.99 110.337 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . . . -50.82 128.04 19.95 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.781 0.66 . . . . 74.09 112.781 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . . . -121.01 145.09 48.14 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.82 1.045 . . . . 79.22 113.82 -179.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' ASP . 7.3 t -44.29 123.1 3.29 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 116.85 2.167 . . . . 69.06 116.85 -179.448 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -79.71 35.38 0.3 Allowed 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 120.996 0.427 . . . . 54.55 112.001 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.3 t -133.87 -52.41 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 120.387 -0.525 . . . . 68.18 110.967 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' CYS . . . . . 0.409 ' SG ' ' NH1' ' A' ' 50' ' ' ARG . 15.6 p -124.17 7.61 8.52 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.465 0.478 . . . . 41.29 112.269 -179.583 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.91 -14.88 9.2 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 116.802 1.481 . . . . 51.3 116.802 178.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASP . . . . . 0.638 ' OD1' ' N ' ' A' ' 7' ' ' VAL . 49.0 t0 -60.26 166.79 2.75 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.001 0.901 . . . . 64.05 111.508 178.902 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . 0.638 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -61.78 128.19 22.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 O-C-N 121.912 -0.492 . . . . 73.94 110.824 179.732 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.15 135.46 46.19 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.361 0.504 . . . . 60.87 112.361 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.1 p -95.75 -4.17 44.54 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.043 0.449 . . . . 37.19 111.938 179.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.64 179.03 31.31 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.417 -0.897 . . . . 33.91 111.202 179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -85.22 88.65 7.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.124 -0.695 . . . . 50.3 109.124 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 15' ' ' VAL . 91.0 m-70 -99.97 146.5 26.63 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 115.442 1.645 . . . . 39.32 115.442 -178.085 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 43.34 32.69 0.52 Allowed 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 114.99 1.478 . . . . 33.63 114.99 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.86 7.69 83.63 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 119.54 -1.314 . . . . 30.72 112.386 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 12' ' ' HIS . 1.2 t -144.14 148.51 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 112.856 0.688 . . . . 57.35 112.856 -179.074 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.4 mt -77.65 110.66 12.67 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 106.531 -1.655 . . . . 51.62 106.531 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.37 169.97 16.88 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 117.202 2.297 . . . . 24.94 117.202 -177.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -86.82 167.0 14.78 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.907 -1.042 . . . . 25.36 110.469 -178.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -64.82 -24.55 67.58 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 119.442 -0.903 . . . . 50.54 110.416 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.54 -49.07 9.51 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.418 -0.896 . . . . 52.76 114.575 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 25' ' ' PHE . 81.8 m -68.07 -41.93 81.18 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 107.985 -1.117 . . . . 56.47 107.985 -179.704 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -52.92 -67.85 0.22 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.508 -1.294 . . . . 43.26 107.508 178.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.9 -47.37 19.38 Favored Glycine 0 C--O 1.22 -0.725 0 C-N-CA 121.098 -0.572 . . . . 40.64 112.963 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -61.49 -44.2 97.5 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.387 -0.968 . . . . 25.75 108.387 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' CYS . 26.8 t80 -57.74 -51.58 68.96 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 114.837 1.421 . . . . 46.17 114.837 -178.528 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . 0.766 ' NH2' ' N7 ' ' C' ' 615' ' ' ' DG' . 12.6 ptt-85 -60.53 -49.99 75.32 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.0 -1.08 . . . . 66.92 108.373 -179.888 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ARG . . . . . 0.468 ' NH2' ' N7 ' ' D' ' 623' ' ' ' DG' . 37.2 ttm180 -47.97 -36.47 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.34 -0.845 . . . . 64.47 110.295 179.279 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 m -70.84 -42.18 70.51 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 115.412 1.634 . . . . 70.1 115.412 -179.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ILE . . . . . 0.408 ' C ' ' N ' ' A' ' 31' ' ' GLN . 1.2 pt -84.19 -24.83 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 N-CA-C 115.44 1.645 . . . . 73.86 115.44 -179.194 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -69.99 12.28 0.23 Allowed 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.681 -0.859 . . . . 80.0 108.681 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . 0.699 ' O ' ' N ' ' A' ' 33' ' ' ILE . . . -171.02 90.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.557 -1.275 . . . . 77.04 107.557 179.737 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . . . -45.52 0.87 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.599 0.592 . . . . 79.58 112.599 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . -46.89 123.65 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.143 0.577 . . . . 80.0 112.283 179.519 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' A GLN . . . . . . . . . . . . . . . -81.25 129.34 34.56 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 114.327 1.232 . . . . 80.0 114.327 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.36 155.46 34.1 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 103.445 -2.798 . . . . 80.0 103.445 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -53.69 166.49 0.32 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.566 0.222 . . . . 80.0 110.558 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . . . -77.95 171.47 14.94 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 122.062 -0.398 . . . . 78.54 110.742 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' CYS . . . . . 0.679 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 52.6 t -104.18 129.16 51.93 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.16 0.8 . . . . 79.88 113.16 179.848 -178.678 165.563 -39.561 130.52 2.909 167.104 138.382 -48.046 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -65.44 -34.38 78.16 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.117 1.895 . . . . 80.0 116.117 -179.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -103.51 86.25 2.61 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 118.046 2.61 . . . . 80.0 118.046 -178.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . . . 35.29 28.99 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 118.712 2.856 . . . . 80.0 118.712 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . . . 32.54 51.58 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 119.158 3.022 . . . . 80.0 119.158 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . . . -142.13 31.89 1.56 Allowed 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 103.547 -2.76 . . . . 78.7 103.547 178.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' CYS . . . . . 0.679 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 20.7 m -56.11 89.76 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.359 -1.291 . . . . 66.51 114.23 -179.372 -48.046 138.382 -39.561 167.104 2.909 130.52 165.563 -178.678 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . 0.532 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -47.39 126.38 9.53 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 109.306 -0.628 . . . . 80.0 109.306 179.517 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 mm -102.39 136.11 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 115.698 1.74 . . . . 76.03 115.698 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . 0.451 ' CG2' ' ND2' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -146.04 167.51 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.15 -0.477 . . . . 40.6 111.246 178.326 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -43.17 -27.65 0.24 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.444 -0.502 . . . . 78.56 112.042 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -47.48 15.68 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 N-CA-C 116.502 2.038 . . . . 75.37 116.502 -177.498 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . 0.532 ' OD1' ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -100.09 1.77 42.57 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 116.151 1.908 . . . . 67.95 116.151 -177.724 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' NH1' ' SG ' ' A' ' 4' ' ' CYS . 32.8 ptt180 -45.15 -53.89 7.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.175 0.806 . . . . 53.09 113.175 -179.286 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . 0.577 ' ND2' ' NH1' ' A' ' 57' ' ' ARG . 12.0 m120 -64.91 -3.38 3.37 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 116.549 2.055 . . . . 70.48 116.549 -179.467 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . . . -73.06 -55.14 6.92 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.8 0.333 . . . . 80.0 111.349 -179.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 1.3 t -106.48 106.68 17.31 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.694 -0.685 . . . . 60.92 112.615 -178.307 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -74.61 -49.47 21.53 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.525 -0.546 . . . . 60.43 109.525 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . . . -62.19 -21.04 64.79 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 113.796 1.036 . . . . 48.51 113.796 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.39 -29.35 12.08 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 119.916 -0.714 . . . . 71.4 109.141 179.147 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ARG . . . . . 0.577 ' NH1' ' ND2' ' A' ' 51' ' ' ASN . 66.2 ttt180 -61.15 -56.3 22.43 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 101.285 -3.598 . . . . 37.84 101.285 177.523 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -49.54 -56.35 10.19 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 113.906 1.076 . . . . 58.96 113.906 -179.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 63' ' ' SER . . . -53.48 -41.95 66.74 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.75 -0.594 . . . . 46.52 112.405 -178.947 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -52.22 -48.25 65.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.997 -1.483 . . . . 71.1 106.997 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 98.3 m -53.28 -51.96 60.6 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 108.591 -0.892 . . . . 40.42 108.591 179.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.86 -47.81 84.65 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.28 -1.007 . . . . 39.52 108.28 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' LYS . 43.9 t -53.19 -46.24 68.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.623 1.342 . . . . 77.51 114.623 -179.825 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.3 m -68.75 -28.25 39.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 112.695 0.628 . . . . 56.24 112.695 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 127.13 0.24 6.98 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 119.916 2.726 . . . . 61.66 119.916 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.0 mtp -58.01 108.75 0.63 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 117.734 2.494 . . . . 33.79 117.734 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 68' ' ' ARG . 29.5 t -136.73 165.39 26.02 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 118.388 2.736 . . . . 38.08 118.388 178.491 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' N ' ' OG ' ' A' ' 67' ' ' SER . 11.3 mtt-85 -74.77 -29.22 61.05 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 105.966 -1.865 . . . . 63.95 105.966 177.86 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' OD1' ' NH2' ' B' ' 52' ' ' ARG . 7.7 m-20 -87.43 17.45 4.5 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.891 -1.05 . . . . 53.02 112.318 -178.544 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.95 6.22 5.46 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 114.637 1.347 . . . . 29.49 114.637 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.74 131.35 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 O-C-N 123.505 0.503 . . . . 39.02 112.043 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -116.0 85.89 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.434 -0.95 . . . . 33.16 108.434 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -64.48 162.11 15.92 Favored 'General case' 0 C--O 1.25 1.125 0 C-N-CA 118.801 -1.16 . . . . 36.52 109.29 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.21 -152.66 19.87 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 122.498 3.759 . . . . 20.16 122.498 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -96.52 149.92 21.21 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 112.641 -1.78 . . . . 73.52 108.515 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.9 mt -71.0 121.52 84.33 Favored Pre-proline 0 N--CA 1.44 -0.958 0 N-CA-C 104.061 -2.57 . . . . 43.3 104.061 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo . . . . . 0 C--O 1.257 1.43 0 C-N-CA 122.36 2.04 . . . . 35.27 113.304 -179.685 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.523 0 N-CA-C 110.812 -0.915 . . . . 80.0 110.812 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' -3' ' ' MET . . . . . 0.573 ' O ' ' CG2' ' B' ' -2' ' ' VAL . . . -32.88 167.56 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.177 2 C-N-CA 132.684 4.393 . . . . 80.0 122.42 -173.445 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' -2' ' ' VAL . . . . . 0.573 ' CG2' ' O ' ' B' ' -3' ' ' MET . 33.3 m 59.09 59.24 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 127.611 2.364 . . . . 80.0 110.915 -178.53 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' -1' ' ' LEU . . . . . . . . . . . . . 12.3 mt -49.59 152.56 1.37 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 110.485 -0.191 . . . . 67.87 110.485 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' LEU . . . . . . . . . . . . . 16.5 mt -110.84 142.14 43.25 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 117.514 2.413 . . . . 33.18 117.514 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 t -56.06 117.55 3.84 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 104.186 -2.524 . . . . 37.65 104.186 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -71.81 18.53 0.08 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 117.465 2.395 . . . . 54.14 117.465 -178.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.44 -57.33 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 N-CA-C 111.853 0.316 . . . . 27.5 111.853 177.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p -109.51 8.78 25.32 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.143 0.497 . . . . 34.95 112.059 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.99 -3.74 2.9 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.736 -0.745 . . . . 63.5 113.698 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -61.41 171.1 1.53 Allowed 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 105.318 -2.105 . . . . 51.96 105.318 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.15 149.95 7.81 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 121.505 0.669 . . . . 30.56 110.582 179.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.65 124.27 44.71 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.448 -0.796 . . . . 51.7 112.016 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.1 p -88.64 -3.44 58.79 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.402 -0.519 . . . . 40.79 111.231 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.61 -174.98 36.53 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 115.326 0.891 . . . . 40.0 115.326 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -96.33 91.36 5.82 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.149 -1.056 . . . . 61.15 108.149 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -105.58 130.54 53.61 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.343 1.238 . . . . 35.51 114.343 -178.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 59.08 31.16 21.07 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 117.975 2.583 . . . . 35.27 117.975 177.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.09 -3.23 61.96 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 115.624 1.01 . . . . 46.93 115.624 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -151.08 154.68 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 113.555 0.946 . . . . 32.75 113.555 179.956 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.97 120.35 14.09 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.29 -1.374 . . . . 55.16 107.29 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.03 176.84 8.33 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.927 1.455 . . . . 31.0 114.927 -176.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' B' ' 19' ' ' GLU . 14.9 p -109.84 144.59 38.07 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 121.767 0.794 . . . . 27.79 110.222 177.85 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' B' ' 18' ' ' CYS . 76.8 mm-40 -38.64 -42.75 0.82 Allowed 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.223 -0.444 . . . . 35.88 109.99 179.792 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.17 -58.14 16.05 Favored Glycine 0 C--O 1.24 0.488 0 N-CA-C 115.761 1.065 . . . . 36.37 115.761 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' CYS . . . . . 0.648 ' SG ' 'ZN ' ' B' ' 550' ' ' ' ZN' . 75.0 m -67.36 -40.56 85.78 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 106.179 -1.786 . . . . 28.38 106.179 179.151 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' B' ' 18' ' ' CYS . 18.0 tttt -52.2 -52.93 49.21 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.521 0.677 . . . . 31.4 111.572 178.262 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.51 -47.89 73.72 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 107.262 -2.335 . . . . 32.68 107.262 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -50.57 -32.33 18.3 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 113.936 1.087 . . . . 49.13 113.936 -179.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -74.16 -64.52 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.306 0.854 . . . . 44.85 113.306 -179.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.13 -19.29 1.86 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.725 0.774 . . . . 67.47 109.198 -179.572 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ARG . . . . . 0.459 ' NH2' ' N7 ' ' D' ' 631' ' ' ' DG' . 44.7 ttm180 -80.43 -40.48 26.28 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 109.09 -0.707 . . . . 51.05 109.09 -179.401 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -68.18 -48.3 65.63 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.78 1.029 . . . . 57.76 113.78 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -73.7 -45.23 51.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 114.313 1.227 . . . . 78.67 114.313 179.756 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . . . -60.01 13.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.191 0.811 . . . . 66.1 113.191 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' B' ' 29' ' ' ILE . . . -146.23 166.85 25.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.371 0.605 . . . . 60.78 111.31 178.945 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . . . -78.2 -3.51 42.99 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 106.386 -1.709 . . . . 80.0 106.386 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . . . -25.71 114.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 114.678 -1.146 . . . . 80.0 111.929 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' A GLN . . . . . . . . . . . . . . . -126.26 84.22 2.25 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.159 -1.052 . . . . 80.0 108.159 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' TYR . . . . . . . . . . . . . . . -43.54 140.12 1.86 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.772 2.138 . . . . 80.0 116.772 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . . . -65.41 128.65 36.76 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.892 -0.781 . . . . 69.11 108.892 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . . . -34.7 138.31 0.11 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 118.111 2.634 . . . . 79.26 118.111 -178.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' B' ' 38' ' ' LEU . 14.9 t -58.35 156.25 10.45 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.027 0.751 . . . . 65.15 113.027 -179.936 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . 0.421 ' N ' ' SG ' ' B' ' 37' ' ' CYS . 24.2 mt -103.41 -56.14 2.27 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.014 1.116 . . . . 80.0 114.014 179.295 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . . . -86.15 73.27 10.27 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 117.365 2.358 . . . . 65.9 117.365 -177.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASN . . . . . 0.634 ' O ' ' C ' ' B' ' 41' ' ' GLU . . . 46.75 74.83 0.14 Allowed 'General case' 0 C--O 1.241 0.643 0 N-CA-C 117.3 2.333 . . . . 80.0 117.3 178.142 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLU . . . . . 0.634 ' C ' ' O ' ' B' ' 40' ' ' ASN . . . -17.57 99.18 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 124.677 2.179 . . . . 75.73 109.136 175.743 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' B' ' 40' ' ' ASN . . . -168.55 -60.53 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.119 3 CA-C-N 106.106 -5.043 . . . . 78.81 100.28 176.383 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 64.4 m -8.77 137.99 0.0 OUTLIER 'General case' 0 C--N 1.4 2.779 3 O-C-N 36.611 -53.805 . . . . 40.77 111.564 -141.693 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 17.4 m -79.62 146.22 32.64 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 104.358 -2.46 . . . . 62.83 104.358 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 14.6 mm -123.68 120.34 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 N-CA-C 108.466 -0.939 . . . . 51.0 108.466 179.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.05 175.0 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.117 -1.068 . . . . 38.06 108.117 179.582 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -45.02 -56.3 4.76 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 114.049 1.129 . . . . 74.03 114.049 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -33.92 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 N-CA-C 121.545 3.906 . . . . 49.78 121.545 -177.153 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.64 -12.64 13.88 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 116.269 1.951 . . . . 33.18 116.269 -177.225 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -33.48 -36.7 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 116.763 2.134 . . . . 22.13 116.763 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -82.14 -7.73 59.63 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 115.897 1.814 . . . . 33.67 115.897 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ARG . . . . . 0.403 ' NH2' ' OD1' ' A' ' 69' ' ' ASP . 66.7 mtt180 -72.07 -56.54 5.44 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.997 1.48 . . . . 48.51 114.997 -178.117 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 45.1 t -104.73 104.51 14.33 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.746 -0.835 . . . . 58.67 108.746 177.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -64.24 -41.36 97.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.738 0.78 . . . . 65.07 109.429 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . . . -48.17 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.105 -0.952 . . . . 48.21 110.964 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 89.1 m -46.17 -48.41 17.52 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 119.868 -0.733 . . . . 54.68 112.355 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -45.04 -58.93 2.87 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 119.442 -0.903 . . . . 50.86 109.875 -179.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -56.23 -39.78 73.06 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.659 0.614 . . . . 53.14 112.659 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . . . -58.32 -50.91 71.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 104.933 -2.247 . . . . 27.32 104.933 177.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -51.8 -48.24 63.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.834 -1.076 . . . . 49.71 112.396 -179.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 71.1 m -55.48 -62.36 1.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.543 -0.54 . . . . 53.27 109.543 179.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -49.46 -36.56 22.99 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 114.761 -1.109 . . . . 72.49 110.871 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' B' ' 63' ' ' SER . 0.2 OUTLIER -75.32 -4.65 40.45 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 116.991 2.219 . . . . 28.11 116.991 179.49 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 m -113.0 -9.88 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 119.997 -0.681 . . . . 51.36 109.307 -179.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 124.14 -11.28 8.19 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 117.46 1.744 . . . . 26.81 117.46 178.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 30.0 mtp -55.53 135.48 50.75 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 117.837 -1.545 . . . . 58.04 108.328 -179.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 91.7 p -172.78 146.5 1.61 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 106.972 -1.492 . . . . 54.54 106.972 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -64.17 -30.52 71.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.406 0.891 . . . . 78.83 113.406 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -80.28 -1.57 41.43 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 116.638 2.088 . . . . 77.22 116.638 -178.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.42 29.74 7.76 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 114.212 1.19 . . . . 67.27 114.212 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 79.7 t -74.63 138.74 20.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.895 0.702 . . . . 80.0 112.895 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -130.69 93.05 3.35 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.347 0.869 . . . . 80.0 113.347 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -73.69 -0.61 16.03 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.455 0.909 . . . . 80.0 113.455 179.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.07 -134.84 0.0 OUTLIER Glycine 0 CA--C 1.539 1.562 1 N-CA-C 124.864 4.706 . . . . 80.0 124.864 -177.729 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ARG . . . . . 0.445 ' NH2' " O4'" ' C' ' 602' ' ' ' DA' . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.357 0 C-N-CA 123.277 0.631 . . . . 80.0 109.469 -179.509 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 450' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 451' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 550' ' ' ' ZN' . . . . . 0.648 'ZN ' ' SG ' ' B' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 551' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 803' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 804' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 806' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 807' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 800' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 802' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 805' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 801' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 808' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 600' ' ' ' DC' . . . . . 0.763 HO5' ' H6 ' ' C' ' 600' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.67 0 O5'-C5'-C4' 114.051 2.751 . . . . 79.53 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 601' ' ' ' DA' . . . . . 0.443 ' N6 ' ' O4 ' ' D' ' 638' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.119 0 C5'-C4'-C3' 112.235 -1.644 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 602' ' ' ' DA' . . . . . 0.734 H2'' " C5'" ' C' ' 603' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.419 -1.336 0 C2'-C3'-O3' 116.693 2.257 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 603' ' ' ' DC' . . . . . 0.734 " C5'" H2'' ' C' ' 602' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.42 -1.256 0 N19-C1'-C2' 109.57 -2.894 . . . . 78.4 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 604' ' ' ' DT' . . . . . 0.651 ' H72' " H2'" ' C' ' 603' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.41 -1.851 0 C4'-C3'-O3' 106.99 -1.504 . . . . 65.28 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 605' ' ' ' DA' . . . . . 1.102 H2'' " H5'" ' C' ' 606' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.4 -2.47 0 C5'-C4'-C3' 110.743 -2.638 . . . . 49.06 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 606' ' ' ' DG' . . . . . 1.102 " H5'" H2'' ' C' ' 605' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.418 -1.401 0 C5'-C4'-O4' 105.371 -2.518 . . . . 66.89 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 607' ' ' ' DG' . . . . . 0.558 H2'' H5'' ' C' ' 608' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.939 0 C5'-C4'-C3' 111.506 -2.129 . . . . 69.58 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 608' ' ' ' DT' . . . . . 0.558 H5'' H2'' ' C' ' 607' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.513 -1.463 0 C5'-C4'-C3' 111.007 -2.462 . . . . 57.28 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 609' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.315 0 N19-C1'-C2' 118.175 2.484 . . . . 45.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 610' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.413 -1.664 0 C4'-C3'-O3' 106.887 -1.551 . . . . 53.97 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 611' ' ' ' DC' . . . . . 0.438 H2'' ' OP2' ' C' ' 612' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.411 -1.811 1 N19-C1'-C2' 107.527 -4.17 . . . . 45.68 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 612' ' ' ' DT' . . . . . 0.438 ' OP2' H2'' ' C' ' 611' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.399 -2.474 0 C3'-C2'-C1' 98.241 -3.185 . . . . 43.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 613' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.408 -1.985 0 C5'-C4'-C3' 109.557 -3.428 . . . . 63.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 614' ' ' ' DG' . . . . . 0.53 H2'' ' OP2' ' C' ' 615' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.401 -2.427 0 C5'-C4'-O4' 112.312 1.82 . . . . 60.65 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 615' ' ' ' DG' . . . . . 0.766 ' N7 ' ' NH2' ' A' ' 26' ' ' ARG . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 C5'-C4'-C3' 111.201 -2.333 . . . . 62.14 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 616' ' ' ' DT' . . . . . 0.604 " H5'" ' H6 ' ' C' ' 616' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.41 -1.889 0 C5'-C4'-C3' 112.027 -1.782 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 617' ' ' ' DC' . . . . . 0.527 " O5'" H2'' ' C' ' 616' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.413 -1.697 0 C3'-C2'-C1' 99.847 -2.038 . . . . 79.53 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 618' ' ' ' DA' . . . . . 0.56 ' H8 ' ' O ' ' C' ' 804' ' ' HOH . . . . . . . . 0 O3'--C3' 1.412 -1.485 0 C5'-C4'-C3' 112.218 -1.654 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 619' ' ' ' DG' . . . . . 0.409 ' OP2' H2'' ' C' ' 618' ' ' ' DA' . . . . . . . . 0 P--O3' 1.589 -1.525 0 O4'-C1'-N19 109.906 2.632 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 621' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.444 0.997 0 C3'-C2'-C1' 104.992 1.637 . . . . 79.7 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 622' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.524 0 O4'-C4'-C3' 106.877 1.277 . . . . 61.09 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 623' ' ' ' DG' . . . . . 0.468 ' N7 ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . 0 O5'--C5' 1.403 -2.307 0 C3'-C2'-C1' 99.364 -2.383 . . . . 63.77 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 624' ' ' ' DA' . . . . . 0.489 H2'' " H5'" ' D' ' 625' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.42 -1.237 0 O4'-C1'-N19 106.295 -1.881 . . . . 69.47 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 625' ' ' ' DC' . . . . . 0.489 " H5'" H2'' ' D' ' 624' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.411 -1.836 0 C5'-C4'-O4' 105.4 -2.5 . . . . 68.16 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 626' ' ' ' DC' . . . . . 0.538 ' C6 ' " H5'" ' D' ' 626' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.415 -1.587 0 C5'-C4'-O4' 105.033 -2.729 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 627' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.528 0 C3'-C2'-C1' 100.734 -1.404 . . . . 78.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 628' ' ' ' DA' . . . . . 0.935 H2'' H5'' ' D' ' 629' ' ' ' DG' . . . . . . . . 0 P--O5' 1.599 0.576 0 C3'-C2'-C1' 100.67 -1.45 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 629' ' ' ' DG' . . . . . 0.935 H5'' H2'' ' D' ' 628' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.418 -1.378 0 O3'-P-O5' 106.339 1.231 . . . . 62.45 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 630' ' ' ' DT' . . . . . 0.626 ' H72' " H2'" ' D' ' 629' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.409 -1.671 0 O5'-P-OP2 105.013 -1.217 . . . . 44.02 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 631' ' ' ' DG' . . . . . 0.542 " H2'" ' HA2' ' B' ' 20' ' ' GLY . . . . . . . . 0 P--O3' 1.59 -1.437 0 C3'-C2'-C1' 98.809 -2.779 . . . . 34.12 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 632' ' ' ' DA' . . . . . 0.632 H2'' " H5'" ' D' ' 633' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.418 -1.353 0 N19-C1'-C2' 115.957 1.098 . . . . 51.53 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 633' ' ' ' DC' . . . . . 0.632 " H5'" H2'' ' D' ' 632' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.411 -1.826 0 C5'-C4'-O4' 104.093 -3.317 . . . . 53.28 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 634' ' ' ' DC' . . . . . 0.479 " H5'" ' C6 ' ' D' ' 634' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.413 -1.688 0 O4'-C1'-N19 106.242 -1.948 . . . . 51.23 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 635' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.411 -1.785 0 C3'-C2'-C1' 100.613 -1.491 . . . . 52.38 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 636' ' ' ' DA' . . . . . 0.679 H2'' " H5'" ' D' ' 637' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O3'-P-O5' 101.769 -1.174 . . . . 67.69 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 637' ' ' ' DG' . . . . . 0.679 " H5'" H2'' ' D' ' 636' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.412 -1.772 0 C5'-C4'-O4' 105.942 -2.161 . . . . 68.56 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 638' ' ' ' DT' . . . . . 0.68 H2'' ' OP2' ' D' ' 639' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.413 -1.667 0 C5'-C4'-C3' 111.212 -2.326 . . . . 72.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 639' ' ' ' DT' . . . . . 0.68 ' OP2' H2'' ' D' ' 638' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.401 -2.427 0 C5'-C4'-C3' 110.595 -2.737 . . . . 71.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 640' ' ' ' DG' . . . . . 0.547 ' C8 ' H2'' ' D' ' 639' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.415 -1.584 0 C5'-C4'-C3' 111.55 -2.1 . . . . 72.76 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -2' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.337 -0.246 . . . . 68.99 110.337 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . . . -50.82 128.04 19.95 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.781 0.66 . . . . 74.09 112.781 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . . . -121.01 145.09 48.14 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.82 1.045 . . . . 79.22 113.82 -179.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' CYS . . . . . 0.677 ' SG ' ' HB ' ' A' ' 3' ' ' VAL . 7.3 t -44.29 123.1 3.29 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 116.85 2.167 . . . . 69.06 116.85 -179.448 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . 0.504 ' O ' HG11 ' A' ' 64' ' ' VAL . 87.2 mttt -79.71 35.38 0.3 Allowed 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 120.996 0.427 . . . . 54.55 112.001 179.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . 0.677 ' HB ' ' SG ' ' A' ' 1' ' ' CYS . 74.3 t -133.87 -52.41 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 120.387 -0.525 . . . . 68.18 110.967 -179.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.6 p -124.17 7.61 8.52 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.465 0.478 . . . . 41.29 112.269 -179.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.91 -14.88 9.2 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 116.802 1.481 . . . . 51.3 116.802 178.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASP . . . . . 0.638 ' OD1' ' N ' ' A' ' 7' ' ' VAL . 49.0 t0 -60.26 166.79 2.75 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.001 0.901 . . . . 64.05 111.508 178.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . 0.638 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -61.78 128.19 22.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 O-C-N 121.912 -0.492 . . . . 73.94 110.824 179.732 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.15 135.46 46.19 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.361 0.504 . . . . 60.87 112.361 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.1 p -95.75 -4.17 44.54 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.043 0.449 . . . . 37.19 111.938 179.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.64 179.03 31.31 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.417 -0.897 . . . . 33.91 111.202 179.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -85.22 88.65 7.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.124 -0.695 . . . . 50.3 109.124 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -99.97 146.5 26.63 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 115.442 1.645 . . . . 39.32 115.442 -178.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . 0.592 ' OH ' ' HB3' ' A' ' 26' ' ' ARG . 94.7 m-85 43.34 32.69 0.52 Allowed 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 114.99 1.478 . . . . 33.63 114.99 177.721 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.86 7.69 83.63 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 119.54 -1.314 . . . . 30.72 112.386 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.2 t -144.14 148.51 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 112.856 0.688 . . . . 57.35 112.856 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.4 mt -77.65 110.66 12.67 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 106.531 -1.655 . . . . 51.62 106.531 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.37 169.97 16.88 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 117.202 2.297 . . . . 24.94 117.202 -177.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -86.82 167.0 14.78 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.907 -1.042 . . . . 25.36 110.469 -178.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -64.82 -24.55 67.58 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 119.442 -0.903 . . . . 50.54 110.416 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.54 -49.07 9.51 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.418 -0.896 . . . . 52.76 114.575 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.07 -41.93 81.18 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 107.985 -1.117 . . . . 56.47 107.985 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -52.92 -67.85 0.22 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.508 -1.294 . . . . 43.26 107.508 178.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.9 -47.37 19.38 Favored Glycine 0 C--O 1.22 -0.725 0 C-N-CA 121.098 -0.572 . . . . 40.64 112.963 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -61.49 -44.2 97.5 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.387 -0.968 . . . . 25.75 108.387 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -57.74 -51.58 68.96 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 114.837 1.421 . . . . 46.17 114.837 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . 0.766 ' NH2' ' N7 ' ' C' ' 615' ' ' ' DG' . 12.6 ptt-85 -60.53 -49.99 75.32 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.0 -1.08 . . . . 66.92 108.373 -179.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ARG . . . . . 0.539 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 37.2 ttm180 -47.97 -36.47 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.34 -0.845 . . . . 64.47 110.295 179.279 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 m -70.84 -42.18 70.51 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 115.412 1.634 . . . . 70.1 115.412 -179.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ILE . . . . . 0.518 ' C ' ' H ' ' A' ' 31' ' ' GLN . 1.2 pt -84.19 -24.83 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 N-CA-C 115.44 1.645 . . . . 73.86 115.44 -179.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -69.99 12.28 0.23 Allowed 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.681 -0.859 . . . . 80.0 108.681 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . 0.699 ' O ' ' N ' ' A' ' 33' ' ' ILE . . . -171.02 90.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.557 -1.275 . . . . 77.04 107.557 179.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . . . -45.52 0.87 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.599 0.592 . . . . 79.58 112.599 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . -46.89 123.65 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.143 0.577 . . . . 80.0 112.283 179.519 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' A GLN . . . . . . . . . . . . . . . -81.25 129.34 34.56 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 114.327 1.232 . . . . 80.0 114.327 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.36 155.46 34.1 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 103.445 -2.798 . . . . 80.0 103.445 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -53.69 166.49 0.32 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.566 0.222 . . . . 80.0 110.558 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . . . -77.95 171.47 14.94 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 122.062 -0.398 . . . . 78.54 110.742 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' CYS . . . . . 0.679 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 52.6 t -104.18 129.16 51.93 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.16 0.8 . . . . 79.88 113.16 179.848 -178.678 165.563 -39.561 130.52 2.909 167.104 138.382 -48.046 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -65.44 -34.38 78.16 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.117 1.895 . . . . 80.0 116.117 -179.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -103.51 86.25 2.61 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 118.046 2.61 . . . . 80.0 118.046 -178.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . . . 35.29 28.99 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 118.712 2.856 . . . . 80.0 118.712 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . . . 32.54 51.58 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 119.158 3.022 . . . . 80.0 119.158 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . . . -142.13 31.89 1.56 Allowed 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 103.547 -2.76 . . . . 78.7 103.547 178.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' CYS . . . . . 0.679 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 20.7 m -56.11 89.76 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.359 -1.291 . . . . 66.51 114.23 -179.372 -48.046 138.382 -39.561 167.104 2.909 130.52 165.563 -178.678 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . 0.682 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -47.39 126.38 9.53 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 109.306 -0.628 . . . . 80.0 109.306 179.517 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . 0.863 HG23 ' HA ' ' A' ' 50' ' ' ARG . 25.0 mm -102.39 136.11 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 115.698 1.74 . . . . 76.03 115.698 -178.561 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . 0.667 HG23 ' OD1' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -146.04 167.51 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.15 -0.477 . . . . 40.6 111.246 178.326 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -43.17 -27.65 0.24 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.444 -0.502 . . . . 78.56 112.042 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -47.48 15.68 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 N-CA-C 116.502 2.038 . . . . 75.37 116.502 -177.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . 0.682 ' ND2' ' O ' ' A' ' 44' ' ' SER . 13.8 p-10 -100.09 1.77 42.57 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 116.151 1.908 . . . . 67.95 116.151 -177.724 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . 0.863 ' HA ' HG23 ' A' ' 45' ' ' ILE . 32.8 ptt180 -45.15 -53.89 7.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.175 0.806 . . . . 53.09 113.175 -179.286 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' OD1' ' NH1' ' A' ' 57' ' ' ARG . 94.3 m-20 -64.91 -3.38 3.37 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 116.549 2.055 . . . . 70.48 116.549 -179.467 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . . . -73.06 -55.14 6.92 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.8 0.333 . . . . 80.0 111.349 -179.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 1.3 t -106.48 106.68 17.31 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.694 -0.685 . . . . 60.92 112.615 -178.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -74.61 -49.47 21.53 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.525 -0.546 . . . . 60.43 109.525 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . . . -62.19 -21.04 64.79 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 113.796 1.036 . . . . 48.51 113.796 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' CYS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 0.8 OUTLIER -101.39 -29.35 12.08 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 119.916 -0.714 . . . . 71.4 109.141 179.147 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' NH1' ' OD1' ' A' ' 51' ' ' ASN . 66.2 ttt180 -61.15 -56.3 22.43 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 101.285 -3.598 . . . . 37.84 101.285 177.523 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 6.5 t80 -49.54 -56.35 10.19 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 113.906 1.076 . . . . 58.96 113.906 -179.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . . . -53.48 -41.95 66.74 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.75 -0.594 . . . . 46.52 112.405 -178.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -52.22 -48.25 65.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.997 -1.483 . . . . 71.1 106.997 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 58' ' ' PHE . 98.3 m -53.28 -51.96 60.6 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 108.591 -0.892 . . . . 40.42 108.591 179.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.86 -47.81 84.65 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.28 -1.007 . . . . 39.52 108.28 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.9 t -53.19 -46.24 68.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.623 1.342 . . . . 77.51 114.623 -179.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . 0.504 HG11 ' O ' ' A' ' 2' ' ' LYS . 18.3 m -68.75 -28.25 39.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 112.695 0.628 . . . . 56.24 112.695 -179.465 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 127.13 0.24 6.98 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 119.916 2.726 . . . . 61.66 119.916 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 13' ' ' TYR . 22.0 mtp -58.01 108.75 0.63 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 117.734 2.494 . . . . 33.79 117.734 -179.098 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 68' ' ' ARG . 29.5 t -136.73 165.39 26.02 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 118.388 2.736 . . . . 38.08 118.388 178.491 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HG2' ' NH1' ' A' ' 68' ' ' ARG . 11.3 mtt-85 -74.77 -29.22 61.05 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 105.966 -1.865 . . . . 63.95 105.966 177.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . 0.468 ' HB3' HG21 ' B' ' 48' ' ' ILE . 7.7 m-20 -87.43 17.45 4.5 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.891 -1.05 . . . . 53.02 112.318 -178.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.95 6.22 5.46 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 114.637 1.347 . . . . 29.49 114.637 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.74 131.35 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 O-C-N 123.505 0.503 . . . . 39.02 112.043 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -116.0 85.89 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.434 -0.95 . . . . 33.16 108.434 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -64.48 162.11 15.92 Favored 'General case' 0 C--O 1.25 1.125 0 C-N-CA 118.801 -1.16 . . . . 36.52 109.29 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.21 -152.66 19.87 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 122.498 3.759 . . . . 20.16 122.498 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -96.52 149.92 21.21 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 112.641 -1.78 . . . . 73.52 108.515 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . 0.431 HG13 " H4'" ' C' ' 611' ' ' ' DC' . 53.9 mt -71.0 121.52 84.33 Favored Pre-proline 0 N--CA 1.44 -0.958 0 N-CA-C 104.061 -2.57 . . . . 43.3 104.061 179.174 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo . . . . . 0 C--O 1.257 1.43 0 C-N-CA 122.36 2.04 . . . . 35.27 113.304 -179.685 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.523 0 N-CA-C 110.812 -0.915 . . . . 80.0 110.812 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' -3' ' ' MET . . . . . 0.798 ' O ' HG22 ' B' ' -2' ' ' VAL . . . -32.88 167.56 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.177 2 C-N-CA 132.684 4.393 . . . . 80.0 122.42 -173.445 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' -2' ' ' VAL . . . . . 0.798 HG22 ' O ' ' B' ' -3' ' ' MET . 33.3 m 59.09 59.24 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 127.611 2.364 . . . . 80.0 110.915 -178.53 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' -1' ' ' LEU . . . . . 0.489 ' HB3' HD13 ' B' ' 16' ' ' LEU . 12.3 mt -49.59 152.56 1.37 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 110.485 -0.191 . . . . 67.87 110.485 179.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 0' ' ' LEU . . . . . . . . . . . . . 16.5 mt -110.84 142.14 43.25 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 117.514 2.413 . . . . 33.18 117.514 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' B' ' 18' ' ' CYS . 1.5 t -56.06 117.55 3.84 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 104.186 -2.524 . . . . 37.65 104.186 177.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LYS . . . . . 0.516 ' HD2' ' O ' ' B' ' 801' ' ' HOH . 72.2 mttt -71.81 18.53 0.08 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 117.465 2.395 . . . . 54.14 117.465 -178.379 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' VAL . . . . . 0.932 HG13 ' HG2' ' B' ' 60' ' ' LYS . 85.9 t -117.44 -57.33 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 N-CA-C 111.853 0.316 . . . . 27.5 111.853 177.215 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p -109.51 8.78 25.32 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.143 0.497 . . . . 34.95 112.059 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.99 -3.74 2.9 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.736 -0.745 . . . . 63.5 113.698 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -61.41 171.1 1.53 Allowed 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 105.318 -2.105 . . . . 51.96 105.318 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.15 149.95 7.81 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 121.505 0.669 . . . . 30.56 110.582 179.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.65 124.27 44.71 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.448 -0.796 . . . . 51.7 112.016 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.1 p -88.64 -3.44 58.79 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.402 -0.519 . . . . 40.79 111.231 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.61 -174.98 36.53 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 115.326 0.891 . . . . 40.0 115.326 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -96.33 91.36 5.82 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.149 -1.056 . . . . 61.15 108.149 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' HIS . . . . . 0.476 ' ND1' ' HD2' ' B' ' 22' ' ' LYS . 58.8 m-70 -105.58 130.54 53.61 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.343 1.238 . . . . 35.51 114.343 -178.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 59.08 31.16 21.07 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 117.975 2.583 . . . . 35.27 117.975 177.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.09 -3.23 61.96 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 115.624 1.01 . . . . 46.93 115.624 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -151.08 154.68 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 113.555 0.946 . . . . 32.75 113.555 179.956 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . 0.489 HD13 ' HB3' ' B' ' -1' ' ' LEU . 83.1 mt -67.97 120.35 14.09 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.29 -1.374 . . . . 55.16 107.29 179.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.03 176.84 8.33 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.927 1.455 . . . . 31.0 114.927 -176.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' B' ' 1' ' ' CYS . 14.9 p -109.84 144.59 38.07 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 121.767 0.794 . . . . 27.79 110.222 177.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' B' ' 18' ' ' CYS . 76.8 mm-40 -38.64 -42.75 0.82 Allowed 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.223 -0.444 . . . . 35.88 109.99 179.792 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . 0.542 ' HA2' " H2'" ' D' ' 631' ' ' ' DG' . . . -59.17 -58.14 16.05 Favored Glycine 0 C--O 1.24 0.488 0 N-CA-C 115.761 1.065 . . . . 36.37 115.761 -179.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' CYS . . . . . 0.709 ' HG ' 'ZN ' ' B' ' 550' ' ' ' ZN' . 75.0 m -67.36 -40.56 85.78 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 106.179 -1.786 . . . . 28.38 106.179 179.151 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . 0.476 ' HD2' ' ND1' ' B' ' 12' ' ' HIS . 18.0 tttt -52.2 -52.93 49.21 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.521 0.677 . . . . 31.4 111.572 178.262 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.51 -47.89 73.72 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 107.262 -2.335 . . . . 32.68 107.262 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . 0.457 ' CE1' ' HD3' ' B' ' 57' ' ' ARG . 84.1 t80 -50.57 -32.33 18.3 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 113.936 1.087 . . . . 49.13 113.936 -179.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -74.16 -64.52 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.306 0.854 . . . . 44.85 113.306 -179.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ARG . . . . . 0.525 ' HG2' ' NH1' ' B' ' 26' ' ' ARG . 0.4 OUTLIER -52.13 -19.29 1.86 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.725 0.774 . . . . 67.47 109.198 -179.572 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ARG . . . . . 0.449 ' NH2' ' N7 ' ' D' ' 631' ' ' ' DG' . 44.7 ttm180 -80.43 -40.48 26.28 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 109.09 -0.707 . . . . 51.05 109.09 -179.401 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -68.18 -48.3 65.63 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.78 1.029 . . . . 57.76 113.78 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ILE . . . . . 0.511 ' C ' ' H ' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -73.7 -45.23 51.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 114.313 1.227 . . . . 78.67 114.313 179.756 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . . . -60.01 13.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.191 0.811 . . . . 66.1 113.191 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLN . . . . . 0.511 ' H ' ' C ' ' B' ' 29' ' ' ILE . . . -146.23 166.85 25.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.371 0.605 . . . . 60.78 111.31 178.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . . . -78.2 -3.51 42.99 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 106.386 -1.709 . . . . 80.0 106.386 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . . . -25.71 114.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 114.678 -1.146 . . . . 80.0 111.929 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' A GLN . . . . . . . . . . . . . . . -126.26 84.22 2.25 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.159 -1.052 . . . . 80.0 108.159 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' TYR . . . . . . . . . . . . . . . -43.54 140.12 1.86 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.772 2.138 . . . . 80.0 116.772 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . . . -65.41 128.65 36.76 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.892 -0.781 . . . . 69.11 108.892 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . . . -34.7 138.31 0.11 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 118.111 2.634 . . . . 79.26 118.111 -178.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' B' ' 38' ' ' LEU . 14.9 t -58.35 156.25 10.45 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.027 0.751 . . . . 65.15 113.027 -179.936 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . 0.421 ' N ' ' SG ' ' B' ' 37' ' ' CYS . 24.2 mt -103.41 -56.14 2.27 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.014 1.116 . . . . 80.0 114.014 179.295 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . . . -86.15 73.27 10.27 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 117.365 2.358 . . . . 65.9 117.365 -177.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASN . . . . . 0.634 ' O ' ' C ' ' B' ' 41' ' ' GLU . . . 46.75 74.83 0.14 Allowed 'General case' 0 C--O 1.241 0.643 0 N-CA-C 117.3 2.333 . . . . 80.0 117.3 178.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLU . . . . . 0.634 ' C ' ' O ' ' B' ' 40' ' ' ASN . . . -17.57 99.18 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 124.677 2.179 . . . . 75.73 109.136 175.743 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' B' ' 40' ' ' ASN . . . -168.55 -60.53 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.119 3 CA-C-N 106.106 -5.043 . . . . 78.81 100.28 176.383 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 43' ' ' CYS . . . . . 0.666 ' HB2' ' SG ' ' B' ' 56' ' ' CYS . 64.4 m -8.77 137.99 0.0 OUTLIER 'General case' 0 C--N 1.4 2.779 3 O-C-N 36.611 -53.805 . . . . 40.77 111.564 -141.693 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 44' ' ' SER . . . . . 0.664 ' O ' HD13 ' B' ' 45' ' ' ILE . 17.4 m -79.62 146.22 32.64 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 104.358 -2.46 . . . . 62.83 104.358 178.581 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ILE . . . . . 0.664 HD13 ' O ' ' B' ' 44' ' ' SER . 14.6 mm -123.68 120.34 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 N-CA-C 108.466 -0.939 . . . . 51.0 108.466 179.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.05 175.0 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.117 -1.068 . . . . 38.06 108.117 179.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -45.02 -56.3 4.76 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 114.049 1.129 . . . . 74.03 114.049 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ILE . . . . . 0.468 HG21 ' HB3' ' A' ' 69' ' ' ASP . 0.9 OUTLIER -63.03 -33.92 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 N-CA-C 121.545 3.906 . . . . 49.78 121.545 -177.153 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' B' ' 44' ' ' SER . 15.2 p-10 -111.64 -12.64 13.88 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 116.269 1.951 . . . . 33.18 116.269 -177.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -33.48 -36.7 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 116.763 2.134 . . . . 22.13 116.763 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -82.14 -7.73 59.63 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 115.897 1.814 . . . . 33.67 115.897 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -72.07 -56.54 5.44 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.997 1.48 . . . . 48.51 114.997 -178.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 45.1 t -104.73 104.51 14.33 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.746 -0.835 . . . . 58.67 108.746 177.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -64.24 -41.36 97.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.738 0.78 . . . . 65.07 109.429 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . . . -48.17 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.105 -0.952 . . . . 48.21 110.964 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' B' ' 43' ' ' CYS . 89.1 m -46.17 -48.41 17.52 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 119.868 -0.733 . . . . 54.68 112.355 -179.604 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ARG . . . . . 0.493 ' O ' ' HB3' ' B' ' 60' ' ' LYS . 57.3 ttt180 -45.04 -58.93 2.87 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 119.442 -0.903 . . . . 50.86 109.875 -179.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -56.23 -39.78 73.06 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.659 0.614 . . . . 53.14 112.659 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . . . -58.32 -50.91 71.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 104.933 -2.247 . . . . 27.32 104.933 177.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LYS . . . . . 0.932 ' HG2' HG13 ' B' ' 3' ' ' VAL . 23.6 tptt -51.8 -48.24 63.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.834 -1.076 . . . . 49.71 112.396 -179.436 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' CYS . . . . . 0.542 ' O ' HG22 ' B' ' 64' ' ' VAL . 71.1 m -55.48 -62.36 1.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.543 -0.54 . . . . 53.27 109.543 179.898 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -49.46 -36.56 22.99 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 114.761 -1.109 . . . . 72.49 110.871 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' SER . . . . . 0.408 ' O ' ' OG ' ' B' ' 63' ' ' SER . 0.2 OUTLIER -75.32 -4.65 40.45 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 116.991 2.219 . . . . 28.11 116.991 179.49 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 64' ' ' VAL . . . . . 0.542 HG22 ' O ' ' B' ' 61' ' ' CYS . 11.3 m -113.0 -9.88 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 119.997 -0.681 . . . . 51.36 109.307 -179.421 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 124.14 -11.28 8.19 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 117.46 1.744 . . . . 26.81 117.46 178.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 30.0 mtp -55.53 135.48 50.75 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 117.837 -1.545 . . . . 58.04 108.328 -179.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 91.7 p -172.78 146.5 1.61 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 106.972 -1.492 . . . . 54.54 106.972 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -64.17 -30.52 71.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.406 0.891 . . . . 78.83 113.406 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -80.28 -1.57 41.43 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 116.638 2.088 . . . . 77.22 116.638 -178.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.42 29.74 7.76 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 114.212 1.19 . . . . 67.27 114.212 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 79.7 t -74.63 138.74 20.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.895 0.702 . . . . 80.0 112.895 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -130.69 93.05 3.35 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.347 0.869 . . . . 80.0 113.347 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -73.69 -0.61 16.03 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.455 0.909 . . . . 80.0 113.455 179.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.07 -134.84 0.0 OUTLIER Glycine 0 CA--C 1.539 1.562 1 N-CA-C 124.864 4.706 . . . . 80.0 124.864 -177.729 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ARG . . . . . 0.574 ' HD3' ' OP1' ' C' ' 603' ' ' ' DC' . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.357 0 C-N-CA 123.277 0.631 . . . . 80.0 109.469 -179.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 450' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 451' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 550' ' ' ' ZN' . . . . . 0.709 'ZN ' ' HG ' ' B' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 551' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 803' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 804' ' ' HOH . . . . . 0.56 ' O ' ' H8 ' ' C' ' 618' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 806' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 807' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 800' ' ' HOH . . . . . 0.455 ' O ' " H3'" ' D' ' 639' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 802' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 805' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 801' ' ' HOH . . . . . 0.516 ' O ' ' HD2' ' B' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 808' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 600' ' ' ' DC' . . . . . 0.763 HO5' ' H6 ' ' C' ' 600' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.67 0 O5'-C5'-C4' 114.051 2.751 . . . . 79.53 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 601' ' ' ' DA' . . . . . 0.443 ' N6 ' ' O4 ' ' D' ' 638' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.119 0 C5'-C4'-C3' 112.235 -1.644 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 602' ' ' ' DA' . . . . . 0.734 H2'' " C5'" ' C' ' 603' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.419 -1.336 0 C2'-C3'-O3' 116.693 2.257 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 603' ' ' ' DC' . . . . . 0.734 " C5'" H2'' ' C' ' 602' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.42 -1.256 0 N19-C1'-C2' 109.57 -2.894 . . . . 78.4 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 604' ' ' ' DT' . . . . . 0.651 ' H72' " H2'" ' C' ' 603' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.41 -1.851 0 C4'-C3'-O3' 106.99 -1.504 . . . . 65.28 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 605' ' ' ' DA' . . . . . 1.102 H2'' " H5'" ' C' ' 606' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.4 -2.47 0 C5'-C4'-C3' 110.743 -2.638 . . . . 49.06 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 606' ' ' ' DG' . . . . . 1.102 " H5'" H2'' ' C' ' 605' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.418 -1.401 0 C5'-C4'-O4' 105.371 -2.518 . . . . 66.89 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 607' ' ' ' DG' . . . . . 0.558 H2'' H5'' ' C' ' 608' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.939 0 C5'-C4'-C3' 111.506 -2.129 . . . . 69.58 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 608' ' ' ' DT' . . . . . 0.558 H5'' H2'' ' C' ' 607' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.513 -1.463 0 C5'-C4'-C3' 111.007 -2.462 . . . . 57.28 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 609' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.315 0 N19-C1'-C2' 118.175 2.484 . . . . 45.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 610' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.413 -1.664 0 C4'-C3'-O3' 106.887 -1.551 . . . . 53.97 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 611' ' ' ' DC' . . . . . 0.438 H2'' ' OP2' ' C' ' 612' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.411 -1.811 1 N19-C1'-C2' 107.527 -4.17 . . . . 45.68 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 612' ' ' ' DT' . . . . . 0.438 ' OP2' H2'' ' C' ' 611' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.399 -2.474 0 C3'-C2'-C1' 98.241 -3.185 . . . . 43.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 613' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.408 -1.985 0 C5'-C4'-C3' 109.557 -3.428 . . . . 63.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 614' ' ' ' DG' . . . . . 0.53 H2'' ' OP2' ' C' ' 615' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.401 -2.427 0 C5'-C4'-O4' 112.312 1.82 . . . . 60.65 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 615' ' ' ' DG' . . . . . 0.766 ' N7 ' ' NH2' ' A' ' 26' ' ' ARG . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 C5'-C4'-C3' 111.201 -2.333 . . . . 62.14 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 616' ' ' ' DT' . . . . . 0.604 " H5'" ' H6 ' ' C' ' 616' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.41 -1.889 0 C5'-C4'-C3' 112.027 -1.782 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 617' ' ' ' DC' . . . . . 0.527 " O5'" H2'' ' C' ' 616' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.413 -1.697 0 C3'-C2'-C1' 99.847 -2.038 . . . . 79.53 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 618' ' ' ' DA' . . . . . 0.56 ' H8 ' ' O ' ' C' ' 804' ' ' HOH . . . . . . . . 0 O3'--C3' 1.412 -1.485 0 C5'-C4'-C3' 112.218 -1.654 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 619' ' ' ' DG' . . . . . 0.409 ' OP2' H2'' ' C' ' 618' ' ' ' DA' . . . . . . . . 0 P--O3' 1.589 -1.525 0 O4'-C1'-N19 109.906 2.632 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 621' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.444 0.997 0 C3'-C2'-C1' 104.992 1.637 . . . . 79.7 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 622' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.524 0 O4'-C4'-C3' 106.877 1.277 . . . . 61.09 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 623' ' ' ' DG' . . . . . 0.468 ' N7 ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . 0 O5'--C5' 1.403 -2.307 0 C3'-C2'-C1' 99.364 -2.383 . . . . 63.77 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 624' ' ' ' DA' . . . . . 0.489 H2'' " H5'" ' D' ' 625' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.42 -1.237 0 O4'-C1'-N19 106.295 -1.881 . . . . 69.47 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 625' ' ' ' DC' . . . . . 0.489 " H5'" H2'' ' D' ' 624' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.411 -1.836 0 C5'-C4'-O4' 105.4 -2.5 . . . . 68.16 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 626' ' ' ' DC' . . . . . 0.538 ' C6 ' " H5'" ' D' ' 626' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.415 -1.587 0 C5'-C4'-O4' 105.033 -2.729 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 627' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.528 0 C3'-C2'-C1' 100.734 -1.404 . . . . 78.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 628' ' ' ' DA' . . . . . 0.935 H2'' H5'' ' D' ' 629' ' ' ' DG' . . . . . . . . 0 P--O5' 1.599 0.576 0 C3'-C2'-C1' 100.67 -1.45 . . . . 80.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 629' ' ' ' DG' . . . . . 0.935 H5'' H2'' ' D' ' 628' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.418 -1.378 0 O3'-P-O5' 106.339 1.231 . . . . 62.45 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 630' ' ' ' DT' . . . . . 0.626 ' H72' " H2'" ' D' ' 629' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.409 -1.671 0 O5'-P-OP2 105.013 -1.217 . . . . 44.02 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 631' ' ' ' DG' . . . . . 0.542 " H2'" ' HA2' ' B' ' 20' ' ' GLY . . . . . . . . 0 P--O3' 1.59 -1.437 0 C3'-C2'-C1' 98.809 -2.779 . . . . 34.12 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 632' ' ' ' DA' . . . . . 0.632 H2'' " H5'" ' D' ' 633' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.418 -1.353 0 N19-C1'-C2' 115.957 1.098 . . . . 51.53 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 633' ' ' ' DC' . . . . . 0.632 " H5'" H2'' ' D' ' 632' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.411 -1.826 0 C5'-C4'-O4' 104.093 -3.317 . . . . 53.28 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 634' ' ' ' DC' . . . . . 0.479 " H5'" ' C6 ' ' D' ' 634' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.413 -1.688 0 O4'-C1'-N19 106.242 -1.948 . . . . 51.23 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 635' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.411 -1.785 0 C3'-C2'-C1' 100.613 -1.491 . . . . 52.38 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 636' ' ' ' DA' . . . . . 0.679 H2'' " H5'" ' D' ' 637' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O3'-P-O5' 101.769 -1.174 . . . . 67.69 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 637' ' ' ' DG' . . . . . 0.679 " H5'" H2'' ' D' ' 636' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.412 -1.772 0 C5'-C4'-O4' 105.942 -2.161 . . . . 68.56 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 638' ' ' ' DT' . . . . . 0.68 H2'' ' OP2' ' D' ' 639' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.413 -1.667 0 C5'-C4'-C3' 111.212 -2.326 . . . . 72.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 639' ' ' ' DT' . . . . . 0.68 ' OP2' H2'' ' D' ' 638' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.401 -2.427 0 C5'-C4'-C3' 110.595 -2.737 . . . . 71.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 640' ' ' ' DG' . . . . . 0.547 ' C8 ' H2'' ' D' ' 639' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.415 -1.584 0 C5'-C4'-C3' 111.55 -2.1 . . . . 72.76 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.337 -0.246 . . . . 68.99 110.337 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . . . -50.82 128.04 19.95 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.781 0.66 . . . . 74.09 112.781 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . . . -121.01 145.09 48.14 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.82 1.045 . . . . 79.22 113.82 -179.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.677 ' SG ' ' HB ' ' A' ' 3' ' ' VAL . 7.3 t -44.29 123.1 3.29 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 116.85 2.167 . . . . 69.06 116.85 -179.448 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.504 ' O ' HG11 ' A' ' 64' ' ' VAL . 87.2 mttt -79.71 35.38 0.3 Allowed 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 120.996 0.427 . . . . 54.55 112.001 179.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.677 ' HB ' ' SG ' ' A' ' 1' ' ' CYS . 74.3 t -133.87 -52.41 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 120.387 -0.525 . . . . 68.18 110.967 -179.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.6 p -124.17 7.61 8.52 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.465 0.478 . . . . 41.29 112.269 -179.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.91 -14.88 9.2 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 116.802 1.481 . . . . 51.3 116.802 178.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.638 ' OD1' ' N ' ' A' ' 7' ' ' VAL . 49.0 t0 -60.26 166.79 2.75 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.001 0.901 . . . . 64.05 111.508 178.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.638 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -61.78 128.19 22.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 O-C-N 121.912 -0.492 . . . . 73.94 110.824 179.732 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.15 135.46 46.19 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.361 0.504 . . . . 60.87 112.361 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.1 p -95.75 -4.17 44.54 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.043 0.449 . . . . 37.19 111.938 179.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.64 179.03 31.31 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.417 -0.897 . . . . 33.91 111.202 179.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -85.22 88.65 7.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.124 -0.695 . . . . 50.3 109.124 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -99.97 146.5 26.63 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 115.442 1.645 . . . . 39.32 115.442 -178.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.592 ' OH ' ' HB3' ' A' ' 26' ' ' ARG . 94.7 m-85 43.34 32.69 0.52 Allowed 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 114.99 1.478 . . . . 33.63 114.99 177.721 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.86 7.69 83.63 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 119.54 -1.314 . . . . 30.72 112.386 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.2 t -144.14 148.51 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 112.856 0.688 . . . . 57.35 112.856 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.4 mt -77.65 110.66 12.67 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 106.531 -1.655 . . . . 51.62 106.531 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.37 169.97 16.88 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 117.202 2.297 . . . . 24.94 117.202 -177.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -86.82 167.0 14.78 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.907 -1.042 . . . . 25.36 110.469 -178.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -64.82 -24.55 67.58 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 119.442 -0.903 . . . . 50.54 110.416 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.54 -49.07 9.51 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.418 -0.896 . . . . 52.76 114.575 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.07 -41.93 81.18 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 107.985 -1.117 . . . . 56.47 107.985 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -52.92 -67.85 0.22 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.508 -1.294 . . . . 43.26 107.508 178.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.9 -47.37 19.38 Favored Glycine 0 C--O 1.22 -0.725 0 C-N-CA 121.098 -0.572 . . . . 40.64 112.963 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -61.49 -44.2 97.5 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.387 -0.968 . . . . 25.75 108.387 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -57.74 -51.58 68.96 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 114.837 1.421 . . . . 46.17 114.837 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.766 ' NH2' ' N7 ' ' C' ' 615' ' ' ' DG' . 12.6 ptt-85 -60.53 -49.99 75.32 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.0 -1.08 . . . . 66.92 108.373 -179.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.539 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 37.2 ttm180 -47.97 -36.47 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.34 -0.845 . . . . 64.47 110.295 179.279 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 m -70.84 -42.18 70.51 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 115.412 1.634 . . . . 70.1 115.412 -179.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.518 ' C ' ' H ' ' A' ' 31' ' ' GLN . 1.2 pt -84.19 -24.83 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 N-CA-C 115.44 1.645 . . . . 73.86 115.44 -179.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -69.99 12.28 0.23 Allowed 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.681 -0.859 . . . . 80.0 108.681 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.699 ' O ' ' N ' ' A' ' 33' ' ' ILE . . . -171.02 90.22 0.14 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.557 -1.275 . . . . 77.04 107.557 179.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . . . -45.52 0.87 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.599 0.592 . . . . 79.58 112.599 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . -46.89 123.65 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 123.143 0.577 . . . . 80.0 112.283 179.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' A GLN . . . . . . . . . . . . . . . -81.25 129.34 34.56 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 114.327 1.232 . . . . 80.0 114.327 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.36 155.46 34.1 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 103.445 -2.798 . . . . 80.0 103.445 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -53.69 166.49 0.32 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.566 0.222 . . . . 80.0 110.558 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . . . -77.95 171.47 14.94 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 122.062 -0.398 . . . . 78.54 110.742 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.679 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 52.6 t -104.18 129.16 51.93 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.16 0.8 . . . . 79.88 113.16 179.848 -178.678 165.563 -39.561 130.52 2.909 167.104 138.382 -48.046 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -65.44 -34.38 78.16 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.117 1.895 . . . . 80.0 116.117 -179.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . . . -103.51 86.25 2.61 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 118.046 2.61 . . . . 80.0 118.046 -178.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . . . 35.29 28.99 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 118.712 2.856 . . . . 80.0 118.712 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . . . 32.54 51.58 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 119.158 3.022 . . . . 80.0 119.158 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . . . -142.13 31.89 1.56 Allowed 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 103.547 -2.76 . . . . 78.7 103.547 178.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.679 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 20.7 m -56.11 89.76 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.359 -1.291 . . . . 66.51 114.23 -179.372 -48.046 138.382 -39.561 167.104 2.909 130.52 165.563 -178.678 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . 0.532 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -47.39 126.38 9.53 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 109.306 -0.628 . . . . 80.0 109.306 179.517 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.863 HG23 ' HA ' ' A' ' 50' ' ' ARG . 25.0 mm -102.39 136.11 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 115.698 1.74 . . . . 76.03 115.698 -178.561 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.064 HG23 HD21 ' A' ' 49' ' ' ASN . 0.2 OUTLIER -146.04 167.51 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.15 -0.477 . . . . 40.6 111.246 178.326 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -43.17 -27.65 0.24 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.444 -0.502 . . . . 78.56 112.042 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -47.48 15.68 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 N-CA-C 116.502 2.038 . . . . 75.37 116.502 -177.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . 1.064 HD21 HG23 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -100.09 1.77 42.57 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 116.151 1.908 . . . . 67.95 116.151 -177.724 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.863 ' HA ' HG23 ' A' ' 45' ' ' ILE . 32.8 ptt180 -45.15 -53.89 7.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.175 0.806 . . . . 53.09 113.175 -179.286 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.577 ' ND2' ' NH1' ' A' ' 57' ' ' ARG . 12.0 m120 -64.91 -3.38 3.37 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 116.549 2.055 . . . . 70.48 116.549 -179.467 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . . . -73.06 -55.14 6.92 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.8 0.333 . . . . 80.0 111.349 -179.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 1.3 t -106.48 106.68 17.31 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.694 -0.685 . . . . 60.92 112.615 -178.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -74.61 -49.47 21.53 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.525 -0.546 . . . . 60.43 109.525 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . . . -62.19 -21.04 64.79 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 113.796 1.036 . . . . 48.51 113.796 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 0.8 OUTLIER -101.39 -29.35 12.08 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 119.916 -0.714 . . . . 71.4 109.141 179.147 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.577 ' NH1' ' ND2' ' A' ' 51' ' ' ASN . 66.2 ttt180 -61.15 -56.3 22.43 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 101.285 -3.598 . . . . 37.84 101.285 177.523 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 6.5 t80 -49.54 -56.35 10.19 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 113.906 1.076 . . . . 58.96 113.906 -179.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . . . -53.48 -41.95 66.74 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.75 -0.594 . . . . 46.52 112.405 -178.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -52.22 -48.25 65.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 106.997 -1.483 . . . . 71.1 106.997 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 58' ' ' PHE . 98.3 m -53.28 -51.96 60.6 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 108.591 -0.892 . . . . 40.42 108.591 179.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.86 -47.81 84.65 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.28 -1.007 . . . . 39.52 108.28 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.9 t -53.19 -46.24 68.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.623 1.342 . . . . 77.51 114.623 -179.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.504 HG11 ' O ' ' A' ' 2' ' ' LYS . 18.3 m -68.75 -28.25 39.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 112.695 0.628 . . . . 56.24 112.695 -179.465 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 127.13 0.24 6.98 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 119.916 2.726 . . . . 61.66 119.916 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 13' ' ' TYR . 22.0 mtp -58.01 108.75 0.63 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 117.734 2.494 . . . . 33.79 117.734 -179.098 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 68' ' ' ARG . 29.5 t -136.73 165.39 26.02 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 118.388 2.736 . . . . 38.08 118.388 178.491 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HG2' ' NH1' ' A' ' 68' ' ' ARG . 11.3 mtt-85 -74.77 -29.22 61.05 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 105.966 -1.865 . . . . 63.95 105.966 177.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.468 ' HB3' HG21 ' B' ' 48' ' ' ILE . 7.7 m-20 -87.43 17.45 4.5 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.891 -1.05 . . . . 53.02 112.318 -178.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.95 6.22 5.46 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 114.637 1.347 . . . . 29.49 114.637 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.74 131.35 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 O-C-N 123.505 0.503 . . . . 39.02 112.043 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -116.0 85.89 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.434 -0.95 . . . . 33.16 108.434 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -64.48 162.11 15.92 Favored 'General case' 0 C--O 1.25 1.125 0 C-N-CA 118.801 -1.16 . . . . 36.52 109.29 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.21 -152.66 19.87 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 122.498 3.759 . . . . 20.16 122.498 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -96.52 149.92 21.21 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 112.641 -1.78 . . . . 73.52 108.515 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.431 HG13 " H4'" ' C' ' 611' ' ' ' DC' . 53.9 mt -71.0 121.52 84.33 Favored Pre-proline 0 N--CA 1.44 -0.958 0 N-CA-C 104.061 -2.57 . . . . 43.3 104.061 179.174 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo . . . . . 0 C--O 1.257 1.43 0 C-N-CA 122.36 2.04 . . . . 35.27 113.304 -179.685 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.523 0 N-CA-C 110.812 -0.915 . . . . 80.0 110.812 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' -3' ' ' MET . . . . . 0.798 ' O ' HG22 ' B' ' -2' ' ' VAL . . . -32.88 167.56 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.177 2 C-N-CA 132.684 4.393 . . . . 80.0 122.42 -173.445 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' -2' ' ' VAL . . . . . 0.798 HG22 ' O ' ' B' ' -3' ' ' MET . 33.3 m 59.09 59.24 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 127.611 2.364 . . . . 80.0 110.915 -178.53 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' -1' ' ' LEU . . . . . 0.489 ' HB3' HD13 ' B' ' 16' ' ' LEU . 12.3 mt -49.59 152.56 1.37 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 110.485 -0.191 . . . . 67.87 110.485 179.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' LEU . . . . . . . . . . . . . 16.5 mt -110.84 142.14 43.25 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 117.514 2.413 . . . . 33.18 117.514 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' B' ' 18' ' ' CYS . 1.5 t -56.06 117.55 3.84 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 104.186 -2.524 . . . . 37.65 104.186 177.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.516 ' HD2' ' O ' ' B' ' 801' ' ' HOH . 72.2 mttt -71.81 18.53 0.08 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 117.465 2.395 . . . . 54.14 117.465 -178.379 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.932 HG13 ' HG2' ' B' ' 60' ' ' LYS . 85.9 t -117.44 -57.33 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 N-CA-C 111.853 0.316 . . . . 27.5 111.853 177.215 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p -109.51 8.78 25.32 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.143 0.497 . . . . 34.95 112.059 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.99 -3.74 2.9 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.736 -0.745 . . . . 63.5 113.698 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -61.41 171.1 1.53 Allowed 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 105.318 -2.105 . . . . 51.96 105.318 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.15 149.95 7.81 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 121.505 0.669 . . . . 30.56 110.582 179.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.65 124.27 44.71 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.448 -0.796 . . . . 51.7 112.016 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.1 p -88.64 -3.44 58.79 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.402 -0.519 . . . . 40.79 111.231 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.61 -174.98 36.53 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 115.326 0.891 . . . . 40.0 115.326 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -96.33 91.36 5.82 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.149 -1.056 . . . . 61.15 108.149 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.476 ' ND1' ' HD2' ' B' ' 22' ' ' LYS . 58.8 m-70 -105.58 130.54 53.61 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.343 1.238 . . . . 35.51 114.343 -178.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 59.08 31.16 21.07 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 117.975 2.583 . . . . 35.27 117.975 177.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.09 -3.23 61.96 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 115.624 1.01 . . . . 46.93 115.624 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -151.08 154.68 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 113.555 0.946 . . . . 32.75 113.555 179.956 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.489 HD13 ' HB3' ' B' ' -1' ' ' LEU . 83.1 mt -67.97 120.35 14.09 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.29 -1.374 . . . . 55.16 107.29 179.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.03 176.84 8.33 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.927 1.455 . . . . 31.0 114.927 -176.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' B' ' 1' ' ' CYS . 14.9 p -109.84 144.59 38.07 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 121.767 0.794 . . . . 27.79 110.222 177.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' B' ' 18' ' ' CYS . 76.8 mm-40 -38.64 -42.75 0.82 Allowed 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.223 -0.444 . . . . 35.88 109.99 179.792 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.542 ' HA2' " H2'" ' D' ' 631' ' ' ' DG' . . . -59.17 -58.14 16.05 Favored Glycine 0 C--O 1.24 0.488 0 N-CA-C 115.761 1.065 . . . . 36.37 115.761 -179.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' CYS . . . . . 0.709 ' HG ' 'ZN ' ' B' ' 550' ' ' ' ZN' . 75.0 m -67.36 -40.56 85.78 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 106.179 -1.786 . . . . 28.38 106.179 179.151 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.476 ' HD2' ' ND1' ' B' ' 12' ' ' HIS . 18.0 tttt -52.2 -52.93 49.21 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.521 0.677 . . . . 31.4 111.572 178.262 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.51 -47.89 73.72 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 107.262 -2.335 . . . . 32.68 107.262 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.457 ' CE1' ' HD3' ' B' ' 57' ' ' ARG . 84.1 t80 -50.57 -32.33 18.3 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 113.936 1.087 . . . . 49.13 113.936 -179.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -74.16 -64.52 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.306 0.854 . . . . 44.85 113.306 -179.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.525 ' HG2' ' NH1' ' B' ' 26' ' ' ARG . 0.4 OUTLIER -52.13 -19.29 1.86 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.725 0.774 . . . . 67.47 109.198 -179.572 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.449 ' NH2' ' N7 ' ' D' ' 631' ' ' ' DG' . 44.7 ttm180 -80.43 -40.48 26.28 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 109.09 -0.707 . . . . 51.05 109.09 -179.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -68.18 -48.3 65.63 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.78 1.029 . . . . 57.76 113.78 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.511 ' C ' ' H ' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -73.7 -45.23 51.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 114.313 1.227 . . . . 78.67 114.313 179.756 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . . . -60.01 13.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.191 0.811 . . . . 66.1 113.191 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.511 ' H ' ' C ' ' B' ' 29' ' ' ILE . . . -146.23 166.85 25.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.371 0.605 . . . . 60.78 111.31 178.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . . . -78.2 -3.51 42.99 Favored 'General case' 0 C--O 1.247 0.938 0 N-CA-C 106.386 -1.709 . . . . 80.0 106.386 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . . . -25.71 114.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 114.678 -1.146 . . . . 80.0 111.929 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' A GLN . . . . . . . . . . . . . . . -126.26 84.22 2.25 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.159 -1.052 . . . . 80.0 108.159 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' TYR . . . . . . . . . . . . . . . -43.54 140.12 1.86 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.772 2.138 . . . . 80.0 116.772 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . . . -65.41 128.65 36.76 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.892 -0.781 . . . . 69.11 108.892 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . . . -34.7 138.31 0.11 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 118.111 2.634 . . . . 79.26 118.111 -178.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' B' ' 38' ' ' LEU . 14.9 t -58.35 156.25 10.45 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.027 0.751 . . . . 65.15 113.027 -179.936 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.421 ' N ' ' SG ' ' B' ' 37' ' ' CYS . 24.2 mt -103.41 -56.14 2.27 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.014 1.116 . . . . 80.0 114.014 179.295 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . . . -86.15 73.27 10.27 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 117.365 2.358 . . . . 65.9 117.365 -177.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.634 ' O ' ' C ' ' B' ' 41' ' ' GLU . . . 46.75 74.83 0.14 Allowed 'General case' 0 C--O 1.241 0.643 0 N-CA-C 117.3 2.333 . . . . 80.0 117.3 178.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.634 ' C ' ' O ' ' B' ' 40' ' ' ASN . . . -17.57 99.18 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 124.677 2.179 . . . . 75.73 109.136 175.743 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' B' ' 40' ' ' ASN . . . -168.55 -60.53 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.119 3 CA-C-N 106.106 -5.043 . . . . 78.81 100.28 176.383 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.666 ' HB2' ' SG ' ' B' ' 56' ' ' CYS . 64.4 m -8.77 137.99 0.0 OUTLIER 'General case' 0 C--N 1.4 2.779 3 O-C-N 36.611 -53.805 . . . . 40.77 111.564 -141.693 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' SER . . . . . 0.664 ' O ' HD13 ' B' ' 45' ' ' ILE . 17.4 m -79.62 146.22 32.64 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 104.358 -2.46 . . . . 62.83 104.358 178.581 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.664 HD13 ' O ' ' B' ' 44' ' ' SER . 14.6 mm -123.68 120.34 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 N-CA-C 108.466 -0.939 . . . . 51.0 108.466 179.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.677 HG23 HD21 ' B' ' 49' ' ' ASN . 0.2 OUTLIER -146.05 175.0 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.117 -1.068 . . . . 38.06 108.117 179.582 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -45.02 -56.3 4.76 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 114.049 1.129 . . . . 74.03 114.049 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.468 HG21 ' HB3' ' A' ' 69' ' ' ASP . 0.9 OUTLIER -63.03 -33.92 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 N-CA-C 121.545 3.906 . . . . 49.78 121.545 -177.153 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.677 HD21 HG23 ' B' ' 46' ' ' VAL . 0.9 OUTLIER -111.64 -12.64 13.88 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 116.269 1.951 . . . . 33.18 116.269 -177.225 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -33.48 -36.7 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 116.763 2.134 . . . . 22.13 116.763 -178.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -82.14 -7.73 59.63 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 115.897 1.814 . . . . 33.67 115.897 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -72.07 -56.54 5.44 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.997 1.48 . . . . 48.51 114.997 -178.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 45.1 t -104.73 104.51 14.33 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.746 -0.835 . . . . 58.67 108.746 177.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -64.24 -41.36 97.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.738 0.78 . . . . 65.07 109.429 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . . . -48.17 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.105 -0.952 . . . . 48.21 110.964 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' B' ' 43' ' ' CYS . 89.1 m -46.17 -48.41 17.52 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 119.868 -0.733 . . . . 54.68 112.355 -179.604 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.493 ' O ' ' HB3' ' B' ' 60' ' ' LYS . 57.3 ttt180 -45.04 -58.93 2.87 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 119.442 -0.903 . . . . 50.86 109.875 -179.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -56.23 -39.78 73.06 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.659 0.614 . . . . 53.14 112.659 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . . . -58.32 -50.91 71.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 104.933 -2.247 . . . . 27.32 104.933 177.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.932 ' HG2' HG13 ' B' ' 3' ' ' VAL . 23.6 tptt -51.8 -48.24 63.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.834 -1.076 . . . . 49.71 112.396 -179.436 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.542 ' O ' HG22 ' B' ' 64' ' ' VAL . 71.1 m -55.48 -62.36 1.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.543 -0.54 . . . . 53.27 109.543 179.898 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -49.46 -36.56 22.99 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 114.761 -1.109 . . . . 72.49 110.871 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' SER . . . . . 0.408 ' O ' ' OG ' ' B' ' 63' ' ' SER . 0.2 OUTLIER -75.32 -4.65 40.45 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 116.991 2.219 . . . . 28.11 116.991 179.49 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.542 HG22 ' O ' ' B' ' 61' ' ' CYS . 11.3 m -113.0 -9.88 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 119.997 -0.681 . . . . 51.36 109.307 -179.421 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 124.14 -11.28 8.19 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 117.46 1.744 . . . . 26.81 117.46 178.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 30.0 mtp -55.53 135.48 50.75 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 117.837 -1.545 . . . . 58.04 108.328 -179.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 91.7 p -172.78 146.5 1.61 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 106.972 -1.492 . . . . 54.54 106.972 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -64.17 -30.52 71.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.406 0.891 . . . . 78.83 113.406 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -80.28 -1.57 41.43 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 116.638 2.088 . . . . 77.22 116.638 -178.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.42 29.74 7.76 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 114.212 1.19 . . . . 67.27 114.212 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 79.7 t -74.63 138.74 20.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.895 0.702 . . . . 80.0 112.895 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -130.69 93.05 3.35 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.347 0.869 . . . . 80.0 113.347 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -73.69 -0.61 16.03 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.455 0.909 . . . . 80.0 113.455 179.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.07 -134.84 0.0 OUTLIER Glycine 0 CA--C 1.539 1.562 1 N-CA-C 124.864 4.706 . . . . 80.0 124.864 -177.729 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.574 ' HD3' ' OP1' ' C' ' 603' ' ' ' DC' . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.357 0 C-N-CA 123.277 0.631 . . . . 80.0 109.469 -179.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 450' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 451' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 550' ' ' ' ZN' . . . . . 0.709 'ZN ' ' HG ' ' B' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 551' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 803' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 804' ' ' HOH . . . . . 0.56 ' O ' ' H8 ' ' C' ' 618' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 806' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 807' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 800' ' ' HOH . . . . . 0.455 ' O ' " H3'" ' D' ' 639' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 802' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 805' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 801' ' ' HOH . . . . . 0.516 ' O ' ' HD2' ' B' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 808' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_