data_6lqe_residue ############################ # Computer software used # ############################ 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 6lqe _Structure_validation_residue.Date_analyzed 2020-05-29 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 121.041 0.448 . . . . 81.27 111.768 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 676' ' ' CYS . . . . . . . . . . . . . 19.3 p -126.73 174.9 8.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.32 0.859 . . . . 73.6 113.32 -167.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 51.2 t -62.15 124.22 20.25 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.56 -0.745 . . . . 45.35 111.762 -171.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.4 -15.85 63.01 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.788 -0.365 . . . . 44.15 111.208 -176.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 97.4 mt -96.38 -52.2 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 113.079 0.77 . . . . 42.44 113.079 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 13.5 p -103.96 -11.95 17.13 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.542 0.941 . . . . 42.03 113.542 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 65.28 21.26 12.0 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.983 1.313 . . . . 76.8 114.347 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 682' ' ' SER . . . . . . . . . . . . . 12.8 p -104.92 173.72 6.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.9 -0.778 . . . . 47.44 108.9 169.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 4.7 p -123.92 34.7 5.0 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.264 -0.574 . . . . 56.84 110.788 173.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 684' ' ' THR . . . . . . . . . . . . . 67.9 p -64.26 162.11 15.32 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.509 -0.314 . . . . 53.3 110.854 -179.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.79 151.25 39.31 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.851 0.686 . . . . 52.59 112.851 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 686' ' ' GLY . . . . . . . . . . . . . . . 154.77 -165.99 32.25 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.488 -0.863 . . . . 46.04 114.16 178.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.4 121.88 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.285 0.564 . . . . 43.81 110.271 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 688' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -114.11 139.01 49.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.938 -0.574 . . . . 50.74 112.324 -172.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 689' ' ' VAL . . . . . . . . . . . . . 2.7 m -119.82 143.39 31.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 120.805 0.336 . . . . 45.03 110.198 170.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -98.44 132.65 43.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.574 -0.739 . . . . 52.76 109.926 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 691' ' ' CYS . . . . . . . . . . . . . 52.5 t -71.33 135.67 47.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.262 -0.975 . . . . 55.74 109.286 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . -83.89 -5.38 87.93 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.917 -0.659 . . . . 56.7 113.518 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 37.5 t -98.58 -54.95 2.88 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.543 -0.463 . . . . 62.62 110.696 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 694' ' ' CYS . . . . . . . . . . . . . 17.7 p -99.75 -17.85 17.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.94 0.719 . . . . 61.01 112.94 -174.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 78.43 6.09 87.92 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 115.469 0.948 . . . . 54.69 115.469 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 696' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -80.83 160.49 24.78 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.994 0.397 . . . . 78.03 110.732 172.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 697' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -101.17 155.79 17.8 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.643 0.608 . . . . 51.06 112.643 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -147.79 145.14 28.66 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.77 -0.455 . . . . 44.22 109.77 175.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -62.46 128.73 37.42 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.339 -0.986 . . . . 40.02 108.339 165.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 700' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.45 -36.62 76.28 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 120.182 -0.607 . . . . 44.15 110.26 177.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 701' ' ' GLY . . . . . . . . . . . . . . . -66.25 -18.66 67.51 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 116.566 1.386 . . . . 45.57 116.566 178.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 702' ' ' CYS . . . . . . . . . . . . . 67.1 m -82.99 -18.19 40.74 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.646 1.223 . . . . 39.27 113.37 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 703' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -90.54 107.62 19.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.3 0.571 . . . . 43.12 110.25 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -104.27 13.85 31.41 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.157 -0.929 . . . . 74.54 112.367 -170.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -59.35 134.12 88.32 Favored Pre-proline 0 C--N 1.327 -0.395 0 C-N-CA 120.414 -0.515 . . . . 49.52 112.024 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 706' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -53.96 141.95 66.01 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 121.575 1.517 . . . . 53.86 112.082 173.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 707' ' ' GLY . . . . . . . . . . . . . . . 89.03 -5.22 84.66 Favored Glycine 0 C--O 1.228 -0.273 0 N-CA-C 116.929 1.532 . . . . 52.18 116.929 172.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.65 -21.19 65.38 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 113.766 1.024 . . . . 55.77 113.766 -175.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 709' ' ' GLY . . . . . . . . . . . . . . . 70.49 -148.23 45.07 Favored Glycine 0 C--O 1.25 1.122 0 CA-C-O 122.755 1.197 . . . . 55.85 115.497 -174.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -117.12 151.36 37.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.748 -0.726 . . . . 56.11 111.399 -170.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -49.97 -36.85 29.74 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.403 -0.817 . . . . 46.97 111.346 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -51.61 -41.86 61.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.149 -0.932 . . . . 74.26 113.272 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -69.61 -14.04 62.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 57.27 111.527 -176.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 714' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -100.45 -38.97 8.18 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.034 0.533 . . . . 57.72 111.833 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 715' ' ' ALA . . . . . . . . . . . . . . . -70.48 -26.18 63.5 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.165 1.172 . . . . 59.12 114.165 -172.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -77.07 166.61 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.984 0.421 . . . . 67.85 111.687 -177.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 717' ' ' THR . . . . . . . . . . . . . 63.1 m -70.84 138.07 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.907 -0.775 . . . . 78.76 108.907 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 60.02 26.29 15.59 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.625 0.726 . . . . 71.74 110.478 -172.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 719' ' ' GLY . . . . . . . . . . . . . . . -69.51 163.33 51.6 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 109.335 -1.506 . . . . 61.96 109.335 172.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 41.6 mt -54.08 153.1 5.3 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.16 0.505 . . . . 57.9 111.431 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 721' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -84.64 135.94 33.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.881 -0.6 . . . . 77.06 109.663 175.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 722' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -93.9 128.39 40.17 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 119.427 -0.909 . . . . 47.87 110.095 175.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 723' ' ' VAL . . . . . . . . . . . . . 81.1 t -125.52 118.5 52.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 106.412 -1.699 . . . . 45.54 106.412 173.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 724' ' ' CYS . . . . . . . . . . . . . 2.7 p -61.37 164.32 9.15 Favored Pre-proline 0 C--O 1.237 0.408 0 O-C-N 123.839 0.712 . . . . 51.17 112.005 -173.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -57.7 -43.24 51.86 Favored 'Trans proline' 0 C--O 1.242 0.71 0 C-N-CA 121.165 1.243 . . . . 53.96 114.409 -174.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 726' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -66.99 -38.98 87.02 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 118.947 -1.101 . . . . 65.2 113.37 178.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 727' ' ' CYS . . . . . . . . . . . . . 84.9 m -75.59 -18.85 59.6 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.061 0.763 . . . . 60.23 113.061 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 21.6 m -67.12 -60.92 2.21 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.662 -0.685 . . . . 79.72 111.677 -175.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 C-N-CA 125.203 1.401 . . . . 74.41 110.146 162.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 121.044 0.45 . . . . 52.78 111.813 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.98 132.09 41.13 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.362 -0.977 . . . . 86.58 108.362 167.756 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 3' ' ' THR . . . . . . . . . . . . . 67.5 p -138.76 170.5 15.88 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.937 -0.574 . . . . 58.66 110.465 -174.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 4' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 123.276 1.513 . . . . 58.27 107.896 171.288 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 5' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -121.99 126.32 48.3 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 106.909 -1.515 . . . . 66.05 106.909 172.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 74.8 p -120.01 163.42 17.66 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.862 0.839 . . . . 58.88 112.797 -176.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.49 -23.43 0.88 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.39 -1.277 . . . . 67.15 109.988 -172.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 8' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 . . . . . 0 N--CA 1.472 0.647 0 C-N-CA 123.66 0.784 . . . . 83.17 113.085 178.108 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 802' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 901' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 902' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 903' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 904' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 121.041 0.448 . . . . 81.269999999999996 111.768 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 676' ' ' CYS . . . . . . . . . . . . . 19.3 p -126.73 174.9 8.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.32 0.859 . . . . 73.599999999999994 113.32 -167.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 51.2 t -62.15 124.22 20.25 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.56 -0.745 . . . . 45.350000000000001 111.762 -171.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 678' ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' A' ' 698' ' ' ALA . 3.9 pp -65.4 -15.85 63.01 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.788 -0.365 . . . . 44.149999999999999 111.208 -176.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 97.4 mt -96.38 -52.2 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 113.079 0.77 . . . . 42.439999999999998 113.079 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 13.5 p -103.96 -11.95 17.13 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.542 0.941 . . . . 42.030000000000001 113.542 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 65.28 21.26 12.0 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.983 1.313 . . . . 76.799999999999997 114.347 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 682' ' ' SER . . . . . . . . . . . . . 12.8 p -104.92 173.72 6.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.9 -0.778 . . . . 47.439999999999998 108.9 169.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 4.7 p -123.92 34.7 5.0 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.264 -0.574 . . . . 56.840000000000003 110.788 173.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 684' ' ' THR . . . . . . . . . . . . . 67.9 p -64.26 162.11 15.32 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.509 -0.314 . . . . 53.299999999999997 110.854 -179.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.79 151.25 39.31 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.851 0.686 . . . . 52.590000000000003 112.851 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 686' ' ' GLY . . . . . . . . . . . . . . . 154.77 -165.99 32.25 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.488 -0.863 . . . . 46.039999999999999 114.16 178.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.4 121.88 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.285 0.564 . . . . 43.810000000000002 110.271 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 688' ' ' TRP . . . . . 0.498 ' HB2' ' HG3' ' P' ' 4' ' ' M3L . 63.3 m95 -114.11 139.01 49.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.938 -0.574 . . . . 50.740000000000002 112.324 -172.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 689' ' ' VAL . . . . . . . . . . . . . 2.7 m -119.82 143.39 31.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 120.805 0.336 . . . . 45.030000000000001 110.198 170.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -98.44 132.65 43.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.574 -0.739 . . . . 52.759999999999998 109.926 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 691' ' ' CYS . . . . . . . . . . . . . 52.5 t -71.33 135.67 47.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.262 -0.975 . . . . 55.740000000000002 109.286 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . -83.89 -5.38 87.93 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.917 -0.659 . . . . 56.700000000000003 113.518 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 37.5 t -98.58 -54.95 2.88 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.543 -0.463 . . . . 62.619999999999997 110.696 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 694' ' ' CYS . . . . . . . . . . . . . 17.7 p -99.75 -17.85 17.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.94 0.719 . . . . 61.009999999999998 112.94 -174.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 78.43 6.09 87.92 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 115.469 0.948 . . . . 54.689999999999998 115.469 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 696' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -80.83 160.49 24.78 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.994 0.397 . . . . 78.030000000000001 110.732 172.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 697' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -101.17 155.79 17.8 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.643 0.608 . . . . 51.060000000000002 112.643 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 698' ' ' ALA . . . . . 0.467 ' HB2' ' HG ' ' A' ' 678' ' ' LEU . . . -147.79 145.14 28.66 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.77 -0.455 . . . . 44.219999999999999 109.77 175.814 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -62.46 128.73 37.42 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.339 -0.986 . . . . 40.020000000000003 108.339 165.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 700' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.45 -36.62 76.28 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 120.182 -0.607 . . . . 44.149999999999999 110.26 177.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 701' ' ' GLY . . . . . . . . . . . . . . . -66.25 -18.66 67.51 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 116.566 1.386 . . . . 45.57 116.566 178.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 702' ' ' CYS . . . . . . . . . . . . . 67.1 m -82.99 -18.19 40.74 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.646 1.223 . . . . 39.270000000000003 113.37 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 703' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -90.54 107.62 19.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.3 0.571 . . . . 43.119999999999997 110.25 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -104.27 13.85 31.41 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.157 -0.929 . . . . 74.540000000000006 112.367 -170.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -59.35 134.12 88.32 Favored Pre-proline 0 C--N 1.327 -0.395 0 C-N-CA 120.414 -0.515 . . . . 49.520000000000003 112.024 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 706' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -53.96 141.95 66.01 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 121.575 1.517 . . . . 53.859999999999999 112.082 173.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 707' ' ' GLY . . . . . . . . . . . . . . . 89.03 -5.22 84.66 Favored Glycine 0 C--O 1.228 -0.273 0 N-CA-C 116.929 1.532 . . . . 52.18 116.929 172.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.65 -21.19 65.38 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 113.766 1.024 . . . . 55.770000000000003 113.766 -175.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 709' ' ' GLY . . . . . . . . . . . . . . . 70.49 -148.23 45.07 Favored Glycine 0 C--O 1.25 1.122 0 CA-C-O 122.755 1.197 . . . . 55.850000000000001 115.497 -174.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -117.12 151.36 37.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.748 -0.726 . . . . 56.109999999999999 111.399 -170.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -49.97 -36.85 29.74 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.403 -0.817 . . . . 46.969999999999999 111.346 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -51.61 -41.86 61.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.149 -0.932 . . . . 74.260000000000005 113.272 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -69.61 -14.04 62.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 57.270000000000003 111.527 -176.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 714' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -100.45 -38.97 8.18 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.034 0.533 . . . . 57.719999999999999 111.833 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 715' ' ' ALA . . . . . . . . . . . . . . . -70.48 -26.18 63.5 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.165 1.172 . . . . 59.119999999999997 114.165 -172.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -77.07 166.61 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.984 0.421 . . . . 67.849999999999994 111.687 -177.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 717' ' ' THR . . . . . . . . . . . . . 63.1 m -70.84 138.07 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.907 -0.775 . . . . 78.760000000000005 108.907 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 60.02 26.29 15.59 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.625 0.726 . . . . 71.739999999999995 110.478 -172.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 719' ' ' GLY . . . . . . . . . . . . . . . -69.51 163.33 51.6 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 109.335 -1.506 . . . . 61.960000000000001 109.335 172.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 41.6 mt -54.08 153.1 5.3 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.16 0.505 . . . . 57.899999999999999 111.431 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 721' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -84.64 135.94 33.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.881 -0.6 . . . . 77.060000000000002 109.663 175.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 722' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -93.9 128.39 40.17 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 119.427 -0.909 . . . . 47.869999999999997 110.095 175.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 723' ' ' VAL . . . . . . . . . . . . . 81.1 t -125.52 118.5 52.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 106.412 -1.699 . . . . 45.539999999999999 106.412 173.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 724' ' ' CYS . . . . . . . . . . . . . 2.7 p -61.37 164.32 9.15 Favored Pre-proline 0 C--O 1.237 0.408 0 O-C-N 123.839 0.712 . . . . 51.170000000000002 112.005 -173.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -57.7 -43.24 51.86 Favored 'Trans proline' 0 C--O 1.242 0.71 0 C-N-CA 121.165 1.243 . . . . 53.960000000000001 114.409 -174.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 726' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -66.99 -38.98 87.02 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 118.947 -1.101 . . . . 65.200000000000003 113.37 178.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 727' ' ' CYS . . . . . . . . . . . . . 84.9 m -75.59 -18.85 59.6 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.061 0.763 . . . . 60.229999999999997 113.061 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 21.6 m -67.12 -60.92 2.21 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.662 -0.685 . . . . 79.719999999999999 111.677 -175.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 C-N-CA 125.203 1.401 . . . . 74.409999999999997 110.146 162.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 121.044 0.45 . . . . 52.780000000000001 111.813 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.98 132.09 41.13 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.362 -0.977 . . . . 86.579999999999998 108.362 167.756 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 3' ' ' THR . . . . . . . . . . . . . 67.5 p -138.76 170.5 15.88 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.937 -0.574 . . . . 58.659999999999997 110.465 -174.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 4' ' ' M3L . . . . . 0.498 ' HG3' ' HB2' ' A' ' 688' ' ' TRP . . . . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 123.276 1.513 . . . . 58.270000000000003 107.896 171.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 5' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -121.99 126.32 48.3 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 106.909 -1.515 . . . . 66.049999999999997 106.909 172.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 74.8 p -120.01 163.42 17.66 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.862 0.839 . . . . 58.880000000000003 112.797 -176.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.49 -23.43 0.88 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.39 -1.277 . . . . 67.150000000000006 109.988 -172.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 8' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 . . . . . 0 N--CA 1.472 0.647 0 C-N-CA 123.66 0.784 . . . . 83.170000000000002 113.085 178.108 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 802' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 901' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 902' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 903' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 904' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 121.041 0.448 . . . . 81.27 111.768 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 676' ' ' CYS . . . . . . . . . . . . . 19.3 p -126.73 174.9 8.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.32 0.859 . . . . 73.6 113.32 -167.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 51.2 t -62.15 124.22 20.25 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.56 -0.745 . . . . 45.35 111.762 -171.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' A' ' 698' ' ' ALA . 3.9 pp -65.4 -15.85 63.01 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.788 -0.365 . . . . 44.15 111.208 -176.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 97.4 mt -96.38 -52.2 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 113.079 0.77 . . . . 42.44 113.079 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 13.5 p -103.96 -11.95 17.13 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.542 0.941 . . . . 42.03 113.542 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 65.28 21.26 12.0 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.983 1.313 . . . . 76.8 114.347 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 682' ' ' SER . . . . . . . . . . . . . 12.8 p -104.92 173.72 6.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.9 -0.778 . . . . 47.44 108.9 169.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 4.7 p -123.92 34.7 5.0 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.264 -0.574 . . . . 56.84 110.788 173.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 684' ' ' THR . . . . . . . . . . . . . 67.9 p -64.26 162.11 15.32 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.509 -0.314 . . . . 53.3 110.854 -179.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.79 151.25 39.31 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.851 0.686 . . . . 52.59 112.851 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 686' ' ' GLY . . . . . . . . . . . . . . . 154.77 -165.99 32.25 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.488 -0.863 . . . . 46.04 114.16 178.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.4 121.88 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.285 0.564 . . . . 43.81 110.271 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 688' ' ' TRP . . . . . 0.498 ' HB2' ' HG3' ' P' ' 4' ' ' M3L . 63.3 m95 -114.11 139.01 49.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.938 -0.574 . . . . 50.74 112.324 -172.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 689' ' ' VAL . . . . . . . . . . . . . 2.7 m -119.82 143.39 31.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 120.805 0.336 . . . . 45.03 110.198 170.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -98.44 132.65 43.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.574 -0.739 . . . . 52.76 109.926 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 691' ' ' CYS . . . . . . . . . . . . . 52.5 t -71.33 135.67 47.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.262 -0.975 . . . . 55.74 109.286 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . -83.89 -5.38 87.93 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.917 -0.659 . . . . 56.7 113.518 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 37.5 t -98.58 -54.95 2.88 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.543 -0.463 . . . . 62.62 110.696 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 694' ' ' CYS . . . . . . . . . . . . . 17.7 p -99.75 -17.85 17.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.94 0.719 . . . . 61.01 112.94 -174.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 78.43 6.09 87.92 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 115.469 0.948 . . . . 54.69 115.469 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 696' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -80.83 160.49 24.78 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.994 0.397 . . . . 78.03 110.732 172.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 697' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -101.17 155.79 17.8 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.643 0.608 . . . . 51.06 112.643 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 698' ' ' ALA . . . . . 0.467 ' HB2' ' HG ' ' A' ' 678' ' ' LEU . . . -147.79 145.14 28.66 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.77 -0.455 . . . . 44.22 109.77 175.814 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -62.46 128.73 37.42 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.339 -0.986 . . . . 40.02 108.339 165.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 700' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.45 -36.62 76.28 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 120.182 -0.607 . . . . 44.15 110.26 177.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 701' ' ' GLY . . . . . . . . . . . . . . . -66.25 -18.66 67.51 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 116.566 1.386 . . . . 45.57 116.566 178.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 702' ' ' CYS . . . . . . . . . . . . . 67.1 m -82.99 -18.19 40.74 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.646 1.223 . . . . 39.27 113.37 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 703' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -90.54 107.62 19.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.3 0.571 . . . . 43.12 110.25 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -104.27 13.85 31.41 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.157 -0.929 . . . . 74.54 112.367 -170.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -59.35 134.12 88.32 Favored Pre-proline 0 C--N 1.327 -0.395 0 C-N-CA 120.414 -0.515 . . . . 49.52 112.024 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 706' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -53.96 141.95 66.01 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 121.575 1.517 . . . . 53.86 112.082 173.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 707' ' ' GLY . . . . . . . . . . . . . . . 89.03 -5.22 84.66 Favored Glycine 0 C--O 1.228 -0.273 0 N-CA-C 116.929 1.532 . . . . 52.18 116.929 172.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.65 -21.19 65.38 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 113.766 1.024 . . . . 55.77 113.766 -175.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 709' ' ' GLY . . . . . . . . . . . . . . . 70.49 -148.23 45.07 Favored Glycine 0 C--O 1.25 1.122 0 CA-C-O 122.755 1.197 . . . . 55.85 115.497 -174.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -117.12 151.36 37.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.748 -0.726 . . . . 56.11 111.399 -170.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 711' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -49.97 -36.85 29.74 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.403 -0.817 . . . . 46.97 111.346 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -51.61 -41.86 61.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.149 -0.932 . . . . 74.26 113.272 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -69.61 -14.04 62.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 57.27 111.527 -176.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 714' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -100.45 -38.97 8.18 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.034 0.533 . . . . 57.72 111.833 -179.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 715' ' ' ALA . . . . . . . . . . . . . . . -70.48 -26.18 63.5 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.165 1.172 . . . . 59.12 114.165 -172.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -77.07 166.61 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.984 0.421 . . . . 67.85 111.687 -177.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 717' ' ' THR . . . . . . . . . . . . . 63.1 m -70.84 138.07 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.907 -0.775 . . . . 78.76 108.907 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 60.02 26.29 15.59 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.625 0.726 . . . . 71.74 110.478 -172.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 719' ' ' GLY . . . . . . . . . . . . . . . -69.51 163.33 51.6 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 109.335 -1.506 . . . . 61.96 109.335 172.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 41.6 mt -54.08 153.1 5.3 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.16 0.505 . . . . 57.9 111.431 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 721' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -84.64 135.94 33.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.881 -0.6 . . . . 77.06 109.663 175.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 722' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -93.9 128.39 40.17 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 119.427 -0.909 . . . . 47.87 110.095 175.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 723' ' ' VAL . . . . . . . . . . . . . 81.1 t -125.52 118.5 52.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 106.412 -1.699 . . . . 45.54 106.412 173.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 724' ' ' CYS . . . . . . . . . . . . . 2.7 p -61.37 164.32 9.15 Favored Pre-proline 0 C--O 1.237 0.408 0 O-C-N 123.839 0.712 . . . . 51.17 112.005 -173.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -57.7 -43.24 51.86 Favored 'Trans proline' 0 C--O 1.242 0.71 0 C-N-CA 121.165 1.243 . . . . 53.96 114.409 -174.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 726' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -66.99 -38.98 87.02 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 118.947 -1.101 . . . . 65.2 113.37 178.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 727' ' ' CYS . . . . . . . . . . . . . 84.9 m -75.59 -18.85 59.6 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.061 0.763 . . . . 60.23 113.061 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 21.6 m -67.12 -60.92 2.21 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 118.662 -0.685 . . . . 79.72 111.677 -175.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 C-N-CA 125.203 1.401 . . . . 74.41 110.146 162.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 121.044 0.45 . . . . 52.78 111.813 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.98 132.09 41.13 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.362 -0.977 . . . . 86.58 108.362 167.756 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 3' ' ' THR . . . . . . . . . . . . . 67.5 p -138.76 170.5 15.88 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.937 -0.574 . . . . 58.66 110.465 -174.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 4' ' ' M3L . . . . . 0.498 ' HG3' ' HB2' ' A' ' 688' ' ' TRP . . . . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 123.276 1.513 . . . . 58.27 107.896 171.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 5' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -121.99 126.32 48.3 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 106.909 -1.515 . . . . 66.05 106.909 172.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 74.8 p -120.01 163.42 17.66 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.862 0.839 . . . . 58.88 112.797 -176.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.49 -23.43 0.88 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.39 -1.277 . . . . 67.15 109.988 -172.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 8' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 . . . . . 0 N--CA 1.472 0.647 0 C-N-CA 123.66 0.784 . . . . 83.17 113.085 178.108 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 802' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 901' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 902' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 903' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 904' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_