data_3w19_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 3w19 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' C' C ' 552' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 48.03 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 553' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -60.63 -45.47 93.93 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.594 0.59 . . . . 65.67 112.594 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 554' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -58.75 -43.92 90.41 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.426 -0.51 . . . . 42.6 111.035 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 555' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.73 -42.79 97.83 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.087 -0.645 . . . . 62.68 110.307 -178.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 556' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.02 -44.27 91.7 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.048 0.452 . . . . 50.73 111.48 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 557' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -63.35 -38.54 91.56 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.904 -0.589 . . . . 23.72 110.078 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 558' ' ' ALA . . . . . . . . . . . . . . . -66.15 -44.71 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 17.8 109.896 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 559' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.59 -42.97 93.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.362 0.601 . . . . 34.11 110.807 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 560' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.41 -48.39 80.84 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.993 -0.548 . . . . 17.55 111.026 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 561' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.43 90.7 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.061 -0.518 . . . . 14.08 111.11 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 562' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -64.97 -33.29 75.68 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.835 -0.346 . . . . 17.6 111.7 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 563' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -64.01 -39.36 93.92 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.417 -0.513 . . . . 22.35 110.28 176.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 564' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -63.6 -40.58 97.3 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.696 -0.402 . . . . 27.93 111.551 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 565' ' ' LEU . . . . . . . . . . . . . 40.3 mt -59.47 -46.25 89.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.004 -0.278 . . . . 21.64 111.068 174.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 566' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.51 -45.24 89.19 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.902 0.382 . . . . 22.91 110.111 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 567' ' ' GLN . . . . . 0.831 ' NE2' ' O ' ' C' ' 657' ' ' HOH . 21.3 mm100 -61.2 -39.65 91.01 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.707 -0.397 . . . . 56.88 111.238 179.606 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 568' ' ' LEU . . . . . . . . . . . . . 21.6 mt -64.29 -40.74 96.56 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 120.718 -0.393 . . . . 18.63 111.502 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 569' ' ' THR . . . . . . . . . . . . . 72.2 p -68.48 -34.64 76.29 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 119.261 -0.976 . . . . 12.13 110.349 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 570' ' ' VAL . . . . . 0.532 ' CG1' ' HE2' ' C' ' 574' ' ' LYS . 45.9 t -63.76 -45.38 97.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 120.952 -0.299 . . . . 15.8 111.213 176.13 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 571' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -53.97 -47.05 71.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.439 0.638 . . . . 25.95 109.994 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 572' ' ' GLY . . . . . . . . . . . . . . . -64.35 -44.55 95.25 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.753 -0.737 . . . . 12.96 112.305 -176.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 573' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.26 -41.75 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 110.319 -0.252 . . . . 14.29 110.319 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 574' ' ' LYS . . . . . 0.532 ' HE2' ' CG1' ' C' ' 570' ' ' VAL . 64.8 mttm -61.19 -44.37 97.39 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.97 -0.456 . . . . 67.47 110.069 178.801 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 575' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -66.37 -41.09 89.96 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.72 0.771 . . . . 19.42 110.727 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 576' ' ' LEU . . . . . . . . . . . . . 85.7 mt -64.4 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.423 -0.808 . . . . 29.91 111.15 -177.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 577' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -63.58 -45.12 91.89 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.366 0.603 . . . . 22.7 109.671 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.26 93.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.21 0.528 . . . . 16.67 111.306 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 579' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -71.37 -40.02 70.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.293 0.479 . . . . 18.23 112.293 -176.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 580' ' ' ILE . . . . . . . . . . . . . 6.9 tp -67.94 -40.73 83.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 121.752 -0.593 . . . . 31.46 109.808 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 581' ' ' LEU . . . . . . . . . . . . . 37.2 tp -58.91 -42.71 90.31 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.249 0.547 . . . . 18.86 110.534 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 582' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.97 96.33 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.839 -0.538 . . . . 15.71 110.559 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 583' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.06 -45.6 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 122.189 -0.32 . . . . 17.59 111.615 177.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 584' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -55.75 -45.4 78.07 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.193 0.521 . . . . 16.43 110.727 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 585' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -65.83 -41.99 91.1 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.597 0.592 . . . . 18.79 112.597 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 586' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -55.99 -46.1 78.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.699 0.285 . . . . 32.72 110.569 175.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 587' ' ' LEU . . . . . . . . . . . . . 97.8 mt -69.04 -37.88 78.82 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.705 0.288 . . . . 20.77 111.507 -177.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 588' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.24 -44.5 97.15 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 109.355 -0.609 . . . . 51.4 109.355 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 589' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -67.08 -31.35 71.79 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.134 -0.485 . . . . 26.28 111.557 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 590' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -79.31 -23.7 43.34 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.192 -0.203 . . . . 48.83 110.81 -177.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 591' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.942 -0.117 . . . . 34.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 623' ' ' TRP . . . . . . . . . . . . . 90.9 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.686 0.279 . . . . 79.88 111.149 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 624' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -62.17 -8.94 6.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.672 0.619 . . . . 99.05 112.672 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 625' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -104.47 26.48 8.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 89.59 111.634 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 626' ' ' MET . . . . . . . . . . . . . 53.9 ttp -116.95 141.77 47.81 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.611 0.967 . . . . 61.88 113.611 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 627' ' ' THR . . . . . . . . . . . . . 52.7 p -99.63 169.15 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.284 -0.871 . . . . 51.97 110.88 -179.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 628' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -71.34 -30.29 66.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.134 -0.484 . . . . 32.51 111.914 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 629' ' ' MET . . . . . . . . . . . . . 24.3 mmt -67.48 -40.25 85.29 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.256 -0.577 . . . . 55.89 110.234 175.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 630' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.54 -41.48 88.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.452 0.644 . . . . 37.5 109.869 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 631' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -54.65 -48.7 71.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.785 -0.643 . . . . 23.78 110.902 175.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 632' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' D' ' 636' ' ' GLU . 60.9 mt-10 -61.94 -40.16 94.59 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.818 -0.353 . . . . 31.75 111.315 179.199 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 633' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -61.28 -46.35 90.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.875 0.369 . . . . 43.66 110.601 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 634' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -66.04 -41.52 90.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.818 -0.353 . . . . 29.7 110.518 -178.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 635' ' ' ILE . . . . . . . . . . . . . 14.8 mm -57.94 -47.02 87.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.314 0.578 . . . . 27.88 109.868 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 636' ' ' GLU . . . . . 0.655 ' OE1' ' O ' ' D' ' 709' ' ' HOH . 88.9 tt0 -60.72 -43.74 97.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 69.19 110.9 -178.892 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 637' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -62.66 -46.47 88.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.421 0.526 . . . . 31.2 112.421 -178.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 638' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -67.34 -38.7 85.27 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.948 -0.701 . . . . 20.18 110.767 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 639' ' ' THR . . . . . . . . . . . . . 55.5 m -61.57 -47.22 86.47 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.404 -0.362 . . . . 25.42 111.017 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 640' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.56 -39.39 90.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.85 0.357 . . . . 93.62 111.228 178.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 641' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.73 -46.17 89.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.317 0.58 . . . . 21.79 110.306 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 642' ' ' ILE . . . . . . . . . . . . . 26.9 mt -61.3 -44.12 97.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 23.82 110.813 -179.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 643' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.22 -46.59 69.16 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 119.029 -1.068 . . . . 37.85 111.553 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 644' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -64.82 -43.57 92.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.919 0.327 . . . . 71.11 110.514 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 645' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.98 -46.68 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.526 -0.306 . . . . 22.94 110.403 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 646' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' D' ' 650' ' ' GLN . 67.1 mt -63.55 -38.73 92.25 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.923 0.342 . . . . 47.73 111.923 179.999 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 647' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -62.2 -44.1 97.35 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.876 0.37 . . . . 67.12 110.953 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 648' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -66.85 -23.77 66.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 66.33 111.257 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 649' ' ' SER . . . . . . . . . . . . . 72.9 m -73.63 -18.5 61.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.897 0.332 . . . . 52.73 111.897 177.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 650' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' D' ' 646' ' ' LEU . 22.7 mm-40 -83.98 -29.91 26.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.322 -0.399 . . . . 71.01 110.533 -177.591 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 651' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.821 0.343 . . . . 78.31 110.371 178.881 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 633' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 638' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 639' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 640' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 641' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 642' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 643' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 644' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 645' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 646' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 647' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 648' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 649' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 650' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 651' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 652' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 653' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 654' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 655' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 656' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 657' ' ' HOH . . . . . 0.831 ' O ' ' NE2' ' C' ' 567' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 658' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 706' ' ' HOH . . . . . 0.593 ' O ' ' OE2' ' D' ' 636' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 709' ' ' HOH . . . . . 0.655 ' O ' ' OE1' ' D' ' 636' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 713' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 714' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 715' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 716' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 717' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 552' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 48.030000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 553' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -60.63 -45.47 93.93 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.594 0.59 . . . . 54.789999999999999 112.594 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 554' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -58.75 -43.92 90.41 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.426 -0.51 . . . . 42.600000000000001 111.035 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 555' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.73 -42.79 97.83 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.087 -0.645 . . . . 52.299999999999997 110.307 -178.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 556' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.02 -44.27 91.7 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.048 0.452 . . . . 42.340000000000003 111.48 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 557' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -63.35 -38.54 91.56 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.904 -0.589 . . . . 19.829999999999998 110.078 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 558' ' ' ALA . . . . . . . . . . . . . . . -66.15 -44.71 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 14.9 109.896 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 559' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.59 -42.97 93.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.362 0.601 . . . . 28.489999999999998 110.807 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 560' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.41 -48.39 80.84 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.993 -0.548 . . . . 17.550000000000001 111.026 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 561' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.43 90.7 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.061 -0.518 . . . . 11.789999999999999 111.11 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 562' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -64.97 -33.29 75.68 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.835 -0.346 . . . . 15.699999999999999 111.7 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 563' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -64.01 -39.36 93.92 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.417 -0.513 . . . . 18.690000000000001 110.28 176.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 564' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -63.6 -40.58 97.3 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.696 -0.402 . . . . 23.34 111.551 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 565' ' ' LEU . . . . . . . . . . . . . 40.3 mt -59.47 -46.25 89.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.004 -0.278 . . . . 18.100000000000001 111.068 174.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 566' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.51 -45.24 89.19 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.902 0.382 . . . . 19.149999999999999 110.111 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 567' ' ' GLN . . . . . 0.831 ' NE2' ' O ' ' C' ' 657' ' ' HOH . 21.3 mm100 -61.2 -39.65 91.01 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.707 -0.397 . . . . 48.890000000000001 111.238 179.606 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 568' ' ' LEU . . . . . . . . . . . . . 21.6 mt -64.29 -40.74 96.56 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 120.718 -0.393 . . . . 15.59 111.502 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 569' ' ' THR . . . . . . . . . . . . . 72.2 p -68.48 -34.64 76.29 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 119.261 -0.976 . . . . 10.220000000000001 110.349 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 570' ' ' VAL . . . . . 0.541 ' CG1' ' HE2' ' C' ' 574' ' ' LYS . 45.9 t -63.76 -45.38 97.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 120.952 -0.299 . . . . 13.23 111.213 176.13 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 571' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -53.97 -47.05 71.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.439 0.638 . . . . 21.690000000000001 109.994 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 572' ' ' GLY . . . . . . . . . . . . . . . -64.35 -44.55 95.25 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.753 -0.737 . . . . 11.02 112.305 -176.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 573' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.26 -41.75 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 110.319 -0.252 . . . . 11.970000000000001 110.319 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 574' ' ' LYS . . . . . 0.541 ' HE2' ' CG1' ' C' ' 570' ' ' VAL . 64.8 mttm -61.19 -44.37 97.39 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.97 -0.456 . . . . 56.289999999999999 110.069 178.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 575' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -66.37 -41.09 89.96 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.72 0.771 . . . . 23.579999999999998 110.727 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 576' ' ' LEU . . . . . . . . . . . . . 85.7 mt -64.4 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.423 -0.808 . . . . 24.989999999999998 111.15 -177.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 577' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -63.58 -45.12 91.89 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.366 0.603 . . . . 22.699999999999999 109.671 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.26 93.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.21 0.528 . . . . 13.960000000000001 111.306 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 579' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -71.37 -40.02 70.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.293 0.479 . . . . 15.26 112.293 -176.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 580' ' ' ILE . . . . . . . . . . . . . 6.9 tp -67.94 -40.73 83.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 121.752 -0.593 . . . . 28.039999999999999 109.808 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 581' ' ' LEU . . . . . . . . . . . . . 37.2 tp -58.91 -42.71 90.31 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.249 0.547 . . . . 15.779999999999999 110.534 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 582' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.97 96.33 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.839 -0.538 . . . . 13.57 110.559 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 583' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.06 -45.6 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 122.189 -0.32 . . . . 14.720000000000001 111.615 177.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 584' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -55.75 -45.4 78.07 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.193 0.521 . . . . 15.380000000000001 110.727 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 585' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -65.83 -41.99 91.1 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.597 0.592 . . . . 16.789999999999999 112.597 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 586' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -55.99 -46.1 78.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.699 0.285 . . . . 27.329999999999998 110.569 175.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 587' ' ' LEU . . . . . . . . . . . . . 97.8 mt -69.04 -37.88 78.82 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.705 0.288 . . . . 17.789999999999999 111.507 -177.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 588' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.24 -44.5 97.15 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 109.355 -0.609 . . . . 42.899999999999999 109.355 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 589' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -67.08 -31.35 71.79 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.134 -0.485 . . . . 26.280000000000001 111.557 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 590' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -79.31 -23.7 43.34 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.192 -0.203 . . . . 44.859999999999999 110.81 -177.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 591' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.942 -0.117 . . . . 34.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 623' ' ' TRP . . . . . . . . . . . . . 90.9 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.686 0.279 . . . . 71.019999999999996 111.149 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 624' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -62.17 -8.94 6.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.672 0.619 . . . . 82.599999999999994 112.672 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 625' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -104.47 26.48 8.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 82.290000000000006 111.634 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 626' ' ' MET . . . . . . . . . . . . . 53.9 ttp -116.95 141.77 47.81 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.611 0.967 . . . . 51.630000000000003 113.611 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 627' ' ' THR . . . . . . . . . . . . . 52.7 p -99.63 169.15 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.284 -0.871 . . . . 43.369999999999997 110.88 -179.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 628' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -71.34 -30.29 66.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.134 -0.484 . . . . 27.149999999999999 111.914 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 629' ' ' MET . . . . . . . . . . . . . 24.3 mmt -67.48 -40.25 85.29 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.256 -0.577 . . . . 55.890000000000001 110.234 175.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 630' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.54 -41.48 88.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.452 0.644 . . . . 37.5 109.869 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 631' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -54.65 -48.7 71.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.785 -0.643 . . . . 19.879999999999999 110.902 175.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 632' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' D' ' 636' ' ' GLU . 60.9 mt-10 -61.94 -40.16 94.59 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.818 -0.353 . . . . 31.75 111.315 179.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 633' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -61.28 -46.35 90.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.875 0.369 . . . . 43.659999999999997 110.601 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 634' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -66.04 -41.52 90.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.818 -0.353 . . . . 29.699999999999999 110.518 -178.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 635' ' ' ILE . . . . . . . . . . . . . 14.8 mm -57.94 -47.02 87.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.314 0.578 . . . . 23.300000000000001 109.868 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 636' ' ' GLU . . . . . 0.655 ' OE1' ' O ' ' D' ' 709' ' ' HOH . 88.9 tt0 -60.72 -43.74 97.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 69.189999999999998 110.9 -178.892 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 637' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -62.66 -46.47 88.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.421 0.526 . . . . 26.059999999999999 112.421 -178.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 638' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -67.34 -38.7 85.27 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.948 -0.701 . . . . 16.879999999999999 110.767 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 639' ' ' THR . . . . . . . . . . . . . 55.5 m -61.57 -47.22 86.47 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.404 -0.362 . . . . 21.25 111.017 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 640' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.56 -39.39 90.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.85 0.357 . . . . 78.079999999999998 111.228 178.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 641' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.73 -46.17 89.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.317 0.58 . . . . 18.219999999999999 110.306 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 642' ' ' ILE . . . . . . . . . . . . . 26.9 mt -61.3 -44.12 97.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 19.91 110.813 -179.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 643' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.22 -46.59 69.16 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 119.029 -1.068 . . . . 32.689999999999998 111.553 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 644' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -64.82 -43.57 92.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.919 0.327 . . . . 59.840000000000003 110.514 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 645' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.98 -46.68 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.526 -0.306 . . . . 22.079999999999998 110.403 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 646' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' D' ' 650' ' ' GLN . 67.1 mt -63.55 -38.73 92.25 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.923 0.342 . . . . 39.840000000000003 111.923 179.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 647' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -62.2 -44.1 97.35 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.876 0.37 . . . . 67.120000000000005 110.953 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 648' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -66.85 -23.77 66.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 66.329999999999998 111.257 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 649' ' ' SER . . . . . . . . . . . . . 72.9 m -73.63 -18.5 61.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.897 0.332 . . . . 45.920000000000002 111.897 177.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 650' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' D' ' 646' ' ' LEU . 22.7 mm-40 -83.98 -29.91 26.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.322 -0.399 . . . . 71.010000000000005 110.533 -177.591 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 651' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.821 0.343 . . . . 74.959999999999994 110.371 178.881 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 633' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 638' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 639' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 640' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 641' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 642' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 643' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 644' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 645' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 646' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 647' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 648' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 649' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 650' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 651' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 652' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 653' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 654' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 655' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 656' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 657' ' ' HOH . . . . . 0.831 ' O ' ' NE2' ' C' ' 567' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 658' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 706' ' ' HOH . . . . . 0.593 ' O ' ' OE2' ' D' ' 636' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 709' ' ' HOH . . . . . 0.655 ' O ' ' OE1' ' D' ' 636' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 713' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 714' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 715' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 716' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 717' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 552' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 48.030000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 553' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -60.63 -45.47 93.93 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.594 0.59 . . . . 54.789999999999999 112.594 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 554' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -58.75 -43.92 90.41 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.426 -0.51 . . . . 42.600000000000001 111.035 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 555' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.73 -42.79 97.83 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.087 -0.645 . . . . 52.299999999999997 110.307 -178.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 556' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.02 -44.27 91.7 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.048 0.452 . . . . 42.340000000000003 111.48 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 557' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -63.35 -38.54 91.56 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.904 -0.589 . . . . 19.829999999999998 110.078 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 558' ' ' ALA . . . . . . . . . . . . . . . -66.15 -44.71 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 14.9 109.896 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 559' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.59 -42.97 93.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.362 0.601 . . . . 28.489999999999998 110.807 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 560' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.41 -48.39 80.84 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.993 -0.548 . . . . 17.550000000000001 111.026 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 561' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.43 90.7 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.061 -0.518 . . . . 11.789999999999999 111.11 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 562' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -64.97 -33.29 75.68 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.835 -0.346 . . . . 15.699999999999999 111.7 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 563' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -64.01 -39.36 93.92 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.417 -0.513 . . . . 18.690000000000001 110.28 176.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 564' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -63.6 -40.58 97.3 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.696 -0.402 . . . . 23.34 111.551 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 565' ' ' LEU . . . . . . . . . . . . . 40.3 mt -59.47 -46.25 89.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.004 -0.278 . . . . 18.100000000000001 111.068 174.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 566' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.51 -45.24 89.19 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.902 0.382 . . . . 19.149999999999999 110.111 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 567' ' ' GLN . . . . . 0.831 ' NE2' ' O ' ' C' ' 657' ' ' HOH . 21.3 mm100 -61.2 -39.65 91.01 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.707 -0.397 . . . . 48.890000000000001 111.238 179.606 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 568' ' ' LEU . . . . . . . . . . . . . 21.6 mt -64.29 -40.74 96.56 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 120.718 -0.393 . . . . 15.59 111.502 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 569' ' ' THR . . . . . . . . . . . . . 72.2 p -68.48 -34.64 76.29 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 119.261 -0.976 . . . . 10.220000000000001 110.349 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 570' ' ' VAL . . . . . 0.541 ' CG1' ' HE2' ' C' ' 574' ' ' LYS . 45.9 t -63.76 -45.38 97.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 120.952 -0.299 . . . . 13.23 111.213 176.13 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 571' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -53.97 -47.05 71.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.439 0.638 . . . . 21.690000000000001 109.994 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 572' ' ' GLY . . . . . . . . . . . . . . . -64.35 -44.55 95.25 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.753 -0.737 . . . . 11.02 112.305 -176.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 573' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.26 -41.75 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 110.319 -0.252 . . . . 11.970000000000001 110.319 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 574' ' ' LYS . . . . . 0.541 ' HE2' ' CG1' ' C' ' 570' ' ' VAL . 64.8 mttm -61.19 -44.37 97.39 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.97 -0.456 . . . . 56.289999999999999 110.069 178.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 575' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -66.37 -41.09 89.96 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.72 0.771 . . . . 23.579999999999998 110.727 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 576' ' ' LEU . . . . . . . . . . . . . 85.7 mt -64.4 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.423 -0.808 . . . . 24.989999999999998 111.15 -177.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 577' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -63.58 -45.12 91.89 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.366 0.603 . . . . 22.699999999999999 109.671 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.26 93.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.21 0.528 . . . . 13.960000000000001 111.306 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 579' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -71.37 -40.02 70.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.293 0.479 . . . . 15.26 112.293 -176.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 580' ' ' ILE . . . . . . . . . . . . . 6.9 tp -67.94 -40.73 83.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 121.752 -0.593 . . . . 28.039999999999999 109.808 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 581' ' ' LEU . . . . . . . . . . . . . 37.2 tp -58.91 -42.71 90.31 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.249 0.547 . . . . 15.779999999999999 110.534 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 582' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.97 96.33 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.839 -0.538 . . . . 13.57 110.559 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 583' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.06 -45.6 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 122.189 -0.32 . . . . 14.720000000000001 111.615 177.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 584' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -55.75 -45.4 78.07 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.193 0.521 . . . . 15.380000000000001 110.727 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 585' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -65.83 -41.99 91.1 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.597 0.592 . . . . 16.789999999999999 112.597 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 586' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -55.99 -46.1 78.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.699 0.285 . . . . 27.329999999999998 110.569 175.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 587' ' ' LEU . . . . . . . . . . . . . 97.8 mt -69.04 -37.88 78.82 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.705 0.288 . . . . 17.789999999999999 111.507 -177.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 588' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.24 -44.5 97.15 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 109.355 -0.609 . . . . 42.899999999999999 109.355 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 589' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -67.08 -31.35 71.79 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.134 -0.485 . . . . 26.280000000000001 111.557 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 590' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -79.31 -23.7 43.34 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.192 -0.203 . . . . 44.859999999999999 110.81 -177.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 591' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.942 -0.117 . . . . 34.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 623' ' ' TRP . . . . . . . . . . . . . 90.9 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.686 0.279 . . . . 71.019999999999996 111.149 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 624' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -62.17 -8.94 6.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.672 0.619 . . . . 82.599999999999994 112.672 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 625' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -104.47 26.48 8.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 82.290000000000006 111.634 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 626' ' ' MET . . . . . . . . . . . . . 53.9 ttp -116.95 141.77 47.81 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.611 0.967 . . . . 51.630000000000003 113.611 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 627' ' ' THR . . . . . . . . . . . . . 52.7 p -99.63 169.15 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.284 -0.871 . . . . 43.369999999999997 110.88 -179.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 628' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -71.34 -30.29 66.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.134 -0.484 . . . . 27.149999999999999 111.914 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 629' ' ' MET . . . . . . . . . . . . . 24.3 mmt -67.48 -40.25 85.29 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.256 -0.577 . . . . 55.890000000000001 110.234 175.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 630' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.54 -41.48 88.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.452 0.644 . . . . 37.5 109.869 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 631' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -54.65 -48.7 71.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.785 -0.643 . . . . 19.879999999999999 110.902 175.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 632' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' D' ' 636' ' ' GLU . 60.9 mt-10 -61.94 -40.16 94.59 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.818 -0.353 . . . . 31.75 111.315 179.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 633' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -61.28 -46.35 90.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.875 0.369 . . . . 43.659999999999997 110.601 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 634' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -66.04 -41.52 90.75 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.818 -0.353 . . . . 29.699999999999999 110.518 -178.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 635' ' ' ILE . . . . . . . . . . . . . 14.8 mm -57.94 -47.02 87.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.314 0.578 . . . . 23.300000000000001 109.868 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 636' ' ' GLU . . . . . 0.655 ' OE1' ' O ' ' D' ' 709' ' ' HOH . 88.9 tt0 -60.72 -43.74 97.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 69.189999999999998 110.9 -178.892 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 637' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -62.66 -46.47 88.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.421 0.526 . . . . 26.059999999999999 112.421 -178.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 638' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -67.34 -38.7 85.27 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.948 -0.701 . . . . 16.879999999999999 110.767 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 639' ' ' THR . . . . . . . . . . . . . 55.5 m -61.57 -47.22 86.47 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.404 -0.362 . . . . 21.25 111.017 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 640' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.56 -39.39 90.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.85 0.357 . . . . 78.079999999999998 111.228 178.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 641' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.73 -46.17 89.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.317 0.58 . . . . 18.219999999999999 110.306 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 642' ' ' ILE . . . . . . . . . . . . . 26.9 mt -61.3 -44.12 97.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 19.91 110.813 -179.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 643' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.22 -46.59 69.16 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 119.029 -1.068 . . . . 32.689999999999998 111.553 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 644' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -64.82 -43.57 92.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.919 0.327 . . . . 59.840000000000003 110.514 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 645' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.98 -46.68 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.526 -0.306 . . . . 22.079999999999998 110.403 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 646' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' D' ' 650' ' ' GLN . 67.1 mt -63.55 -38.73 92.25 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.923 0.342 . . . . 39.840000000000003 111.923 179.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 647' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -62.2 -44.1 97.35 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.876 0.37 . . . . 67.120000000000005 110.953 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 648' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -66.85 -23.77 66.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 66.329999999999998 111.257 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 649' ' ' SER . . . . . . . . . . . . . 72.9 m -73.63 -18.5 61.04 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.897 0.332 . . . . 45.920000000000002 111.897 177.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 650' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' D' ' 646' ' ' LEU . 22.7 mm-40 -83.98 -29.91 26.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.322 -0.399 . . . . 71.010000000000005 110.533 -177.591 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 651' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.821 0.343 . . . . 74.959999999999994 110.371 178.881 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 633' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 638' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 639' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 640' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 641' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 642' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 643' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 644' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 645' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 646' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 647' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 648' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 649' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 650' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 651' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 652' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 653' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 654' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 655' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 656' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 657' ' ' HOH . . . . . 0.831 ' O ' ' NE2' ' C' ' 567' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 658' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 701' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 702' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 704' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 705' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 706' ' ' HOH . . . . . 0.593 ' O ' ' OE2' ' D' ' 636' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 707' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 708' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 709' ' ' HOH . . . . . 0.655 ' O ' ' OE1' ' D' ' 636' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 710' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 711' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 712' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 713' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 714' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 715' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 716' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 717' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_