data_3vu5_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 3vu5 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 51.8 t30 . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 113.242 0.83 . . . . 86.939999999999998 113.242 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 554' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -68.43 -24.75 64.77 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 108.293 -1.002 . . . . 64.769999999999996 108.293 165.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.08 -41.61 73.88 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.411 -0.813 . . . . 80.359999999999999 109.764 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.83 -42.05 86.44 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.619 -0.719 . . . . 55.520000000000003 110.366 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 65.0 mtt85 -61.59 -36.76 81.61 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.488 0.492 . . . . 91.120000000000005 110.959 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 558' ' ' ALA . . . . . . . . . . . . . . . -57.8 -50.55 72.9 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 109.583 -0.525 . . . . 42.539999999999999 109.583 176.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 559' ' ' ILE . . . . . . . . . . . . . 8.5 mt -63.74 -37.88 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 O-C-N 124.417 1.073 . . . . 51.869999999999997 110.799 -176.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.85 -39.24 93.74 Favored 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 120.878 -0.329 . . . . 51.43 110.976 176.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.44 69.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.702 0.763 . . . . 39.890000000000001 109.504 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -59.72 -39.25 84.02 Favored 'General case' 0 C--O 1.256 1.431 0 CA-C-N 115.093 -0.958 . . . . 52.210000000000001 111.344 173.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -63.89 -39.93 95.35 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 123.529 0.518 . . . . 42.310000000000002 110.937 177.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 564' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -62.15 -40.14 94.97 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.68 -0.808 . . . . 64.799999999999997 110.86 174.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.38 -46.66 89.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.421 0.629 . . . . 56.390000000000001 110.469 178.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.97 -42.7 90.57 Favored 'General case' 0 C--O 1.263 1.786 0 N-CA-C 113.166 0.802 . . . . 45.719999999999999 113.166 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -64.48 -32.84 74.64 Favored 'General case' 0 C--O 1.253 1.279 0 C-N-CA 119.938 -0.705 . . . . 62.009999999999998 112.045 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.97 -37.12 86.6 Favored 'General case' 0 C--O 1.247 0.936 0 O-C-N 123.783 0.677 . . . . 43.259999999999998 111.967 172.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 569' ' ' THR . . . . . . . . . . . . . 39.9 p -70.7 -38.42 73.68 Favored 'General case' 0 C--O 1.249 1.063 0 C-N-CA 118.179 -1.408 . . . . 36.780000000000001 112.487 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 570' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.65 -49.23 81.33 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 C-N-CA 123.675 0.79 . . . . 39.890000000000001 110.512 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 571' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -52.38 -43.79 64.92 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 121.286 0.565 . . . . 40.530000000000001 110.439 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 572' ' ' GLY . . . . . . . . . . . . . . . -66.57 -49.56 55.1 Favored Glycine 0 CA--C 1.498 -1.01 0 N-CA-C 110.174 -1.17 . . . . 32.649999999999999 110.174 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 76.8 mt -60.11 -43.03 92.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 112.292 0.478 . . . . 33.289999999999999 112.292 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 574' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -64.99 -36.82 85.65 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 119.913 -0.715 . . . . 64.659999999999997 112.763 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -62.85 -46.14 89.3 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.678 0.752 . . . . 38.729999999999997 109.416 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.61 -44.04 95.13 Favored 'General case' 0 C--O 1.285 2.957 0 CA-C-N 115.677 -0.692 . . . . 33.210000000000001 112.772 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -40.81 97.03 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.915 -0.714 . . . . 67.590000000000003 110.872 -178.674 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.15 95.4 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.559 0.695 . . . . 27.850000000000001 110.722 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -71.74 -40.13 69.6 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.033 -0.53 . . . . 47.600000000000001 111.892 -176.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 580' ' ' ILE . . . . . . . . . . . . . 6.3 tp -65.42 -40.74 89.28 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.145 0 C-N-CA 119.04 -1.064 . . . . 43.149999999999999 110.414 178.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.03 -40.73 98.63 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.675 0.39 . . . . 32.700000000000003 110.844 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.2 96.78 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 120.114 -0.635 . . . . 22.989999999999998 110.844 176.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 583' ' ' VAL . . . . . . . . . . . . . 15.8 t -64.9 -45.21 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.938 0 O-C-N 121.801 -0.562 . . . . 25.719999999999999 111.182 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -58.65 -41.96 87.25 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.568 -0.901 . . . . 30.510000000000002 108.568 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.27 -41.85 80.46 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.487 -0.758 . . . . 28.57 112.601 -179.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 586' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -56.23 -45.5 79.92 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.483 0.659 . . . . 48.350000000000001 110.762 173.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 587' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 587' ' ' LEU . 82.9 mt -66.61 -40.56 88.86 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.223 -0.923 . . . . 31.859999999999999 110.009 -177.551 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -62.48 -43.88 97.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.642 -0.708 . . . . 73.609999999999999 110.931 178.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 589' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -69.34 -25.33 64.14 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 113.402 0.89 . . . . 38.390000000000001 113.402 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -68.46 -35.64 77.86 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.548 0.613 . . . . 70.170000000000002 111.167 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 591' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 41.350000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 627' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 . . . . . . . . 43.899999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 628' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -80.13 -19.87 46.27 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 114.116 1.154 . . . . 54.479999999999997 114.116 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 629' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -78.03 -39.94 40.37 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 108.288 -1.004 . . . . 78.010000000000005 108.288 177.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 630' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -63.26 -39.54 94.88 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.277 -0.874 . . . . 76.909999999999997 112.386 170.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 631' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -61.6 -54.02 48.54 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.595 -0.52 . . . . 51.450000000000003 109.595 174.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 632' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -47.03 -39.16 12.2 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-O 121.548 0.689 . . . . 56.369999999999997 110.651 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 633' ' ' LYS . . . . . 0.647 ' O ' ' HG2' ' B' ' 636' ' ' GLU . 89.5 mttt -79.19 -38.63 35.35 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.143 1.164 . . . . 86.530000000000001 114.143 -175.096 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -63.14 -39.28 94.21 Favored 'General case' 0 N--CA 1.432 -1.358 0 N-CA-C 110.016 -0.364 . . . . 93.569999999999993 110.016 173.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 635' ' ' ILE . . . . . . . . . . . . . 23.7 mm -59.56 -45.18 94.24 Favored 'Isoleucine or valine' 0 C--O 1.256 1.411 0 CA-C-O 121.175 0.512 . . . . 46.469999999999999 111.387 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 636' ' ' GLU . . . . . 0.647 ' HG2' ' O ' ' B' ' 633' ' ' LYS . 23.5 pt-20 -68.67 -40.49 80.1 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.714 -0.675 . . . . 80.140000000000001 109.452 -175.144 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 637' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -62.31 -48.88 77.9 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.671 0.788 . . . . 81.75 113.125 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 638' ' ' TYR . . . . . 0.41 ' O ' HG13 ' B' ' 642' ' ' ILE . 56.2 m-85 -73.76 -27.56 61.22 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 118.125 -1.43 . . . . 69.549999999999997 111.909 179.826 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 639' ' ' THR . . . . . . . . . . . . . 60.8 m -67.85 -41.74 82.45 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 109.322 -0.621 . . . . 47.119999999999997 109.322 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 640' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' B' ' 636' ' ' GLU . 25.2 mtmm -69.75 -42.78 73.46 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 118.403 -1.319 . . . . 98.150000000000006 109.675 -178.86 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -58.31 -43.0 87.93 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.189 0.44 . . . . 99.620000000000005 112.189 177.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 642' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 638' ' ' TYR . 96.6 mt -62.86 -42.68 97.35 Favored 'Isoleucine or valine' 0 C--O 1.246 0.895 0 N-CA-C 113.823 1.046 . . . . 49.880000000000003 113.823 176.36 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 643' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' B' ' 706' ' ' HOH . 31.5 mm-40 -68.85 -25.83 64.84 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 112.252 0.464 . . . . 71.129999999999995 112.252 -176.202 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 644' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -82.03 -33.94 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.377 -0.601 . . . . 98.540000000000006 109.377 -178.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 645' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.1 -44.63 72.1 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.027 -0.988 . . . . 56.979999999999997 112.105 175.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 43.4 mt -56.38 -40.22 65.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 112.639 0.607 . . . . 57.649999999999999 112.639 170.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -63.47 -42.15 98.6 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.744 1.016 . . . . 113.14 113.744 173.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 648' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -69.05 -45.07 71.31 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.067 0.394 . . . . 70.840000000000003 111.013 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 107.105 -1.443 . . . . 71.670000000000002 107.105 165.014 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' SO4 . . . . . 0.447 ' O1 ' ' N ' ' A' ' 602' ' ' NH4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' NH4 . . . . . 0.447 ' N ' ' O1 ' ' A' ' 601' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 706' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 709' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 713' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 714' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 715' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 716' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 717' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 718' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 719' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 720' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 721' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 722' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 723' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 724' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 725' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 726' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 727' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 728' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 729' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 730' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 731' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 732' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 706' ' ' HOH . . . . . 0.48 ' O ' ' O ' ' B' ' 643' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 709' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 51.8 t30 . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 113.242 0.83 . . . . 77.12 113.242 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 554' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -68.43 -24.75 64.77 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 108.293 -1.002 . . . . 53.98 108.293 165.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.08 -41.61 73.88 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.411 -0.813 . . . . 66.97 109.764 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.83 -42.05 86.44 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.619 -0.719 . . . . 46.27 110.366 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 65.0 mtt85 -61.59 -36.76 81.61 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.488 0.492 . . . . 77.44 110.959 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 558' ' ' ALA . . . . . . . . . . . . . . . -57.8 -50.55 72.9 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 109.583 -0.525 . . . . 35.52 109.583 176.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 559' ' ' ILE . . . . . . . . . . . . . 8.5 mt -63.74 -37.88 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 O-C-N 124.417 1.073 . . . . 43.22 110.799 -176.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.85 -39.24 93.74 Favored 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 120.878 -0.329 . . . . 51.43 110.976 176.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.44 69.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.702 0.763 . . . . 35.77 109.504 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -59.72 -39.25 84.02 Favored 'General case' 0 C--O 1.256 1.431 0 CA-C-N 115.093 -0.958 . . . . 43.97 111.344 173.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -63.89 -39.93 95.35 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 123.529 0.518 . . . . 39.04 110.937 177.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 564' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -62.15 -40.14 94.97 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.68 -0.808 . . . . 54.0 110.86 174.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.38 -46.66 89.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.421 0.629 . . . . 47.0 110.469 178.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.97 -42.7 90.57 Favored 'General case' 0 C--O 1.263 1.786 0 N-CA-C 113.166 0.802 . . . . 38.1 113.166 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -64.48 -32.84 74.64 Favored 'General case' 0 C--O 1.253 1.279 0 C-N-CA 119.938 -0.705 . . . . 55.95 112.045 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.97 -37.12 86.6 Favored 'General case' 0 C--O 1.247 0.936 0 O-C-N 123.783 0.677 . . . . 36.05 111.967 172.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 569' ' ' THR . . . . . . . . . . . . . 39.9 p -70.7 -38.42 73.68 Favored 'General case' 0 C--O 1.249 1.063 0 C-N-CA 118.179 -1.408 . . . . 30.65 112.487 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 570' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.65 -49.23 81.33 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 C-N-CA 123.675 0.79 . . . . 33.24 110.512 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 571' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -52.38 -43.79 64.92 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 121.286 0.565 . . . . 33.77 110.439 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 572' ' ' GLY . . . . . . . . . . . . . . . -66.57 -49.56 55.1 Favored Glycine 0 CA--C 1.498 -1.01 0 N-CA-C 110.174 -1.17 . . . . 27.21 110.174 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 76.8 mt -60.11 -43.03 92.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 112.292 0.478 . . . . 27.74 112.292 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 574' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -64.99 -36.82 85.65 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 119.913 -0.715 . . . . 53.89 112.763 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -62.85 -46.14 89.3 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.678 0.752 . . . . 33.06 109.416 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.61 -44.04 95.13 Favored 'General case' 0 C--O 1.285 2.957 0 CA-C-N 115.677 -0.692 . . . . 27.68 112.772 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -40.81 97.03 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.915 -0.714 . . . . 56.33 110.872 -178.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.15 95.4 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.559 0.695 . . . . 23.21 110.722 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -71.74 -40.13 69.6 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.033 -0.53 . . . . 39.67 111.892 -176.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 580' ' ' ILE . . . . . . . . . . . . . 6.3 tp -65.42 -40.74 89.28 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.145 0 C-N-CA 119.04 -1.064 . . . . 35.96 110.414 178.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.03 -40.73 98.63 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.675 0.39 . . . . 27.25 110.844 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.2 96.78 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 120.114 -0.635 . . . . 22.9 110.844 176.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 583' ' ' VAL . . . . . . . . . . . . . 15.8 t -64.9 -45.21 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.938 0 O-C-N 121.801 -0.562 . . . . 21.43 111.182 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -58.65 -41.96 87.25 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.568 -0.901 . . . . 25.42 108.568 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.27 -41.85 80.46 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.487 -0.758 . . . . 23.8 112.601 -179.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 586' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -56.23 -45.5 79.92 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.483 0.659 . . . . 40.3 110.762 173.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 587' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 587' ' ' LEU . 82.9 mt -66.61 -40.56 88.86 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.223 -0.923 . . . . 27.24 110.009 -177.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -62.48 -43.88 97.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.642 -0.708 . . . . 61.34 110.931 178.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 589' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -69.34 -25.33 64.14 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 113.402 0.89 . . . . 38.39 113.402 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -68.46 -35.64 77.86 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.548 0.613 . . . . 58.47 111.167 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 591' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 41.35 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 627' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 . . . . . . . . 43.9 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 628' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -80.13 -19.87 46.27 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 114.116 1.154 . . . . 51.22 114.116 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 629' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -78.03 -39.94 40.37 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 108.288 -1.004 . . . . 78.01 108.288 177.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 630' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -63.26 -39.54 94.88 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.277 -0.874 . . . . 76.91 112.386 170.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 631' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -61.6 -54.02 48.54 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.595 -0.52 . . . . 42.88 109.595 174.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 632' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -47.03 -39.16 12.2 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-O 121.548 0.689 . . . . 56.37 110.651 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 633' ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' B' ' 636' ' ' GLU . 89.5 mttt -79.19 -38.63 35.35 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.143 1.164 . . . . 72.1 114.143 -175.096 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -63.14 -39.28 94.21 Favored 'General case' 0 N--CA 1.432 -1.358 0 N-CA-C 110.016 -0.364 . . . . 77.98 110.016 173.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 635' ' ' ILE . . . . . . . . . . . . . 23.7 mm -59.56 -45.18 94.24 Favored 'Isoleucine or valine' 0 C--O 1.256 1.411 0 CA-C-O 121.175 0.512 . . . . 40.17 111.387 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 636' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' B' ' 633' ' ' LYS . 23.5 pt-20 -68.67 -40.49 80.1 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.714 -0.675 . . . . 80.14 109.452 -175.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 637' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -62.31 -48.88 77.9 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.671 0.788 . . . . 76.18 113.125 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 638' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -73.76 -27.56 61.22 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 118.125 -1.43 . . . . 57.96 111.909 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 639' ' ' THR . . . . . . . . . . . . . 60.8 m -67.85 -41.74 82.45 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 109.322 -0.621 . . . . 44.48 109.322 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 640' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' B' ' 636' ' ' GLU . 25.2 mtmm -69.75 -42.78 73.46 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 118.403 -1.319 . . . . 81.79 109.675 -178.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -58.31 -43.0 87.93 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.189 0.44 . . . . 83.01 112.189 177.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 642' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.86 -42.68 97.35 Favored 'Isoleucine or valine' 0 C--O 1.246 0.895 0 N-CA-C 113.823 1.046 . . . . 43.7 113.823 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 643' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' B' ' 706' ' ' HOH . 31.5 mm-40 -68.85 -25.83 64.84 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 112.252 0.464 . . . . 71.13 112.252 -176.202 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 644' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' B' ' 645' ' ' LEU . 7.6 pt-20 -82.03 -33.94 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.377 -0.601 . . . . 98.54 109.377 -178.458 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 645' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' B' ' 644' ' ' GLU . 95.7 mt -69.1 -44.63 72.1 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.027 -0.988 . . . . 47.49 112.105 175.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 43.4 mt -56.38 -40.22 65.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 112.639 0.607 . . . . 50.17 112.639 170.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -63.47 -42.15 98.6 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.744 1.016 . . . . 94.28 113.744 173.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 648' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -69.05 -45.07 71.31 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.067 0.394 . . . . 59.03 111.013 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 107.105 -1.443 . . . . 59.73 107.105 165.014 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 601' ' ' SO4 . . . . . 0.447 ' O1 ' ' N ' ' A' ' 602' ' ' NH4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 602' ' ' NH4 . . . . . 0.447 ' N ' ' O1 ' ' A' ' 601' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 706' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 709' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 713' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 714' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 715' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 716' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 717' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 718' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 719' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 720' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 721' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 722' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 723' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 724' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 725' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 726' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 727' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 728' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 729' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 730' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 731' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 732' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 706' ' ' HOH . . . . . 0.48 ' O ' ' O ' ' B' ' 643' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 709' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 553' ' ' ASN . . . . . . . . . . . . . 51.8 t30 . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 113.242 0.83 . . . . 77.120000000000005 113.242 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 554' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -68.43 -24.75 64.77 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 108.293 -1.002 . . . . 53.979999999999997 108.293 165.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.08 -41.61 73.88 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.411 -0.813 . . . . 66.969999999999999 109.764 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.83 -42.05 86.44 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.619 -0.719 . . . . 46.270000000000003 110.366 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 65.0 mtt85 -61.59 -36.76 81.61 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.488 0.492 . . . . 77.439999999999998 110.959 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 558' ' ' ALA . . . . . . . . . . . . . . . -57.8 -50.55 72.9 Favored 'General case' 0 CA--C 1.502 -0.882 0 N-CA-C 109.583 -0.525 . . . . 35.520000000000003 109.583 176.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 559' ' ' ILE . . . . . . . . . . . . . 8.5 mt -63.74 -37.88 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 O-C-N 124.417 1.073 . . . . 43.219999999999999 110.799 -176.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 560' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.85 -39.24 93.74 Favored 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 120.878 -0.329 . . . . 51.43 110.976 176.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.44 69.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.702 0.763 . . . . 35.770000000000003 109.504 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -59.72 -39.25 84.02 Favored 'General case' 0 C--O 1.256 1.431 0 CA-C-N 115.093 -0.958 . . . . 43.969999999999999 111.344 173.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -63.89 -39.93 95.35 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 123.529 0.518 . . . . 39.039999999999999 110.937 177.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 564' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -62.15 -40.14 94.97 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.68 -0.808 . . . . 54.0 110.86 174.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.38 -46.66 89.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.421 0.629 . . . . 47.0 110.469 178.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.97 -42.7 90.57 Favored 'General case' 0 C--O 1.263 1.786 0 N-CA-C 113.166 0.802 . . . . 38.100000000000001 113.166 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -64.48 -32.84 74.64 Favored 'General case' 0 C--O 1.253 1.279 0 C-N-CA 119.938 -0.705 . . . . 55.950000000000003 112.045 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.97 -37.12 86.6 Favored 'General case' 0 C--O 1.247 0.936 0 O-C-N 123.783 0.677 . . . . 36.049999999999997 111.967 172.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 569' ' ' THR . . . . . . . . . . . . . 39.9 p -70.7 -38.42 73.68 Favored 'General case' 0 C--O 1.249 1.063 0 C-N-CA 118.179 -1.408 . . . . 30.649999999999999 112.487 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 570' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.65 -49.23 81.33 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 C-N-CA 123.675 0.79 . . . . 33.240000000000002 110.512 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 571' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -52.38 -43.79 64.92 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 121.286 0.565 . . . . 33.770000000000003 110.439 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 572' ' ' GLY . . . . . . . . . . . . . . . -66.57 -49.56 55.1 Favored Glycine 0 CA--C 1.498 -1.01 0 N-CA-C 110.174 -1.17 . . . . 27.210000000000001 110.174 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 76.8 mt -60.11 -43.03 92.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 112.292 0.478 . . . . 27.739999999999998 112.292 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 574' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -64.99 -36.82 85.65 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 119.913 -0.715 . . . . 53.890000000000001 112.763 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -62.85 -46.14 89.3 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.678 0.752 . . . . 33.060000000000002 109.416 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.61 -44.04 95.13 Favored 'General case' 0 C--O 1.285 2.957 0 CA-C-N 115.677 -0.692 . . . . 27.68 112.772 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -40.81 97.03 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.915 -0.714 . . . . 56.329999999999998 110.872 -178.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.15 95.4 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.559 0.695 . . . . 23.210000000000001 110.722 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -71.74 -40.13 69.6 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.033 -0.53 . . . . 39.670000000000002 111.892 -176.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 580' ' ' ILE . . . . . . . . . . . . . 6.3 tp -65.42 -40.74 89.28 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.145 0 C-N-CA 119.04 -1.064 . . . . 35.960000000000001 110.414 178.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.03 -40.73 98.63 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.675 0.39 . . . . 27.25 110.844 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.2 96.78 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 120.114 -0.635 . . . . 22.899999999999999 110.844 176.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 583' ' ' VAL . . . . . . . . . . . . . 15.8 t -64.9 -45.21 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.938 0 O-C-N 121.801 -0.562 . . . . 21.43 111.182 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -58.65 -41.96 87.25 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.568 -0.901 . . . . 25.420000000000002 108.568 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.27 -41.85 80.46 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.487 -0.758 . . . . 23.800000000000001 112.601 -179.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 586' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -56.23 -45.5 79.92 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.483 0.659 . . . . 40.299999999999997 110.762 173.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 587' ' ' LEU . 82.9 mt -66.61 -40.56 88.86 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.223 -0.923 . . . . 27.239999999999998 110.009 -177.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 588' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -62.48 -43.88 97.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.642 -0.708 . . . . 61.340000000000003 110.931 178.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 589' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -69.34 -25.33 64.14 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 113.402 0.89 . . . . 38.390000000000001 113.402 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 590' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -68.46 -35.64 77.86 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.548 0.613 . . . . 58.469999999999999 111.167 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 591' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 41.350000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 627' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 . . . . . . . . 43.899999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 628' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -80.13 -19.87 46.27 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 114.116 1.154 . . . . 51.219999999999999 114.116 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 629' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -78.03 -39.94 40.37 Favored 'General case' 0 C--O 1.21 -1.005 0 N-CA-C 108.288 -1.004 . . . . 78.010000000000005 108.288 177.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 630' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -63.26 -39.54 94.88 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.277 -0.874 . . . . 76.909999999999997 112.386 170.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 631' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -61.6 -54.02 48.54 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.595 -0.52 . . . . 42.880000000000003 109.595 174.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 632' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -47.03 -39.16 12.2 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-O 121.548 0.689 . . . . 56.369999999999997 110.651 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 633' ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' B' ' 636' ' ' GLU . 89.5 mttt -79.19 -38.63 35.35 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.143 1.164 . . . . 72.099999999999994 114.143 -175.096 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 634' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -63.14 -39.28 94.21 Favored 'General case' 0 N--CA 1.432 -1.358 0 N-CA-C 110.016 -0.364 . . . . 77.980000000000004 110.016 173.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 635' ' ' ILE . . . . . . . . . . . . . 23.7 mm -59.56 -45.18 94.24 Favored 'Isoleucine or valine' 0 C--O 1.256 1.411 0 CA-C-O 121.175 0.512 . . . . 40.170000000000002 111.387 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 636' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' B' ' 633' ' ' LYS . 23.5 pt-20 -68.67 -40.49 80.1 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.714 -0.675 . . . . 80.140000000000001 109.452 -175.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 637' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -62.31 -48.88 77.9 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.671 0.788 . . . . 76.180000000000007 113.125 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 638' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -73.76 -27.56 61.22 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 118.125 -1.43 . . . . 57.960000000000001 111.909 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 639' ' ' THR . . . . . . . . . . . . . 60.8 m -67.85 -41.74 82.45 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 109.322 -0.621 . . . . 44.479999999999997 109.322 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 640' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' B' ' 636' ' ' GLU . 25.2 mtmm -69.75 -42.78 73.46 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 118.403 -1.319 . . . . 81.790000000000006 109.675 -178.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -58.31 -43.0 87.93 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.189 0.44 . . . . 83.010000000000005 112.189 177.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 642' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.86 -42.68 97.35 Favored 'Isoleucine or valine' 0 C--O 1.246 0.895 0 N-CA-C 113.823 1.046 . . . . 43.700000000000003 113.823 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 643' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' B' ' 706' ' ' HOH . 31.5 mm-40 -68.85 -25.83 64.84 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 112.252 0.464 . . . . 71.129999999999995 112.252 -176.202 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 644' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' B' ' 645' ' ' LEU . 7.6 pt-20 -82.03 -33.94 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.377 -0.601 . . . . 98.540000000000006 109.377 -178.458 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 645' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' B' ' 644' ' ' GLU . 95.7 mt -69.1 -44.63 72.1 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.027 -0.988 . . . . 47.490000000000002 112.105 175.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 43.4 mt -56.38 -40.22 65.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 112.639 0.607 . . . . 50.170000000000002 112.639 170.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 647' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -63.47 -42.15 98.6 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.744 1.016 . . . . 94.280000000000001 113.744 173.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 648' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -69.05 -45.07 71.31 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.067 0.394 . . . . 59.030000000000001 111.013 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 107.105 -1.443 . . . . 59.729999999999997 107.105 165.014 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' SO4 . . . . . 0.447 ' O1 ' ' N ' ' A' ' 602' ' ' NH4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' NH4 . . . . . 0.447 ' N ' ' O1 ' ' A' ' 601' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 706' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 709' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 713' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 714' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 715' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 716' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 717' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 718' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 719' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 720' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 721' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 722' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 723' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 724' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 725' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 726' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 727' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 728' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 729' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 730' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 731' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 732' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 706' ' ' HOH . . . . . 0.48 ' O ' ' O ' ' B' ' 643' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 709' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_