data_1aik_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 1aik _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 ' N' N ' 545' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.518 . . . . . . . . 56.37 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 546' ' ' SER . . . . . 0.581 ' H ' ' H1 ' ' N' ' 29' ' ' HOH . 76.8 p -65.24 -42.1 93.67 Favored 'General case' 0 CA--C 1.496 -1.134 0 O-C-N 120.713 -1.242 . . . . 57.84 112.164 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' N' N ' 547' ' ' GLY . . . . . . . . . . . . . . . -64.34 -33.47 87.33 Favored Glycine 0 C--N 1.345 1.034 0 O-C-N 124.768 1.292 . . . . 55.59 111.558 -177.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 548' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.1 -48.78 72.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 125.993 1.717 . . . . 56.29 112.043 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 549' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.02 -40.11 86.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.131 0.491 . . . . 54.97 110.383 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 550' ' ' GLN . . . . . 0.745 ' NE2' ' H2 ' ' N' ' 22' ' ' HOH . 0.0 OUTLIER -61.36 -50.49 72.69 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 126.059 1.744 . . . . 71.73 109.899 175.173 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' N' N ' 551' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -60.36 -40.28 90.22 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 119.079 -2.263 . . . . 47.87 110.478 178.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 552' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -59.91 -37.72 80.25 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.84 1.305 . . . . 59.31 113.225 177.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 553' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -67.15 -41.1 86.62 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.303 -1.317 . . . . 59.01 109.767 175.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 554' ' ' ASN . . . . . 0.599 ' ND2' ' O ' ' N' ' 17' ' ' HOH . 85.8 m-20 -66.73 -37.38 84.56 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.584 -0.735 . . . . 52.7 110.951 179.408 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' N' N ' 555' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.61 -49.28 60.53 Favored 'General case' 0 N--CA 1.437 -1.123 0 O-C-N 121.826 -0.546 . . . . 41.19 110.141 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 556' ' ' LEU . . . . . . . . . . . . . 40.4 tp -56.16 -43.4 78.3 Favored 'General case' 0 CA--C 1.5 -0.962 0 C-N-CA 124.436 1.095 . . . . 40.28 110.595 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 557' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -66.38 -34.69 78.52 Favored 'General case' 0 C--N 1.315 -0.892 0 O-C-N 121.217 -0.927 . . . . 64.47 108.974 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 558' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.44 92.82 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.726 -1.234 . . . . 41.9 112.369 178.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 559' ' ' ILE . . . . . . . . . . . . . 96.1 mt -66.36 -41.14 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.004 0.921 . . . . 41.89 109.585 176.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 560' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.79 -38.38 83.29 Favored 'General case' 0 N--CA 1.438 -1.031 0 O-C-N 119.727 -1.858 . . . . 58.21 108.5 -178.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 561' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.86 94.13 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.142 -0.974 . . . . 42.7 108.456 179.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 562' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -70.26 -30.38 67.4 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 118.849 -1.141 . . . . 54.5 112.965 -179.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 563' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -63.15 -42.52 99.46 Favored 'General case' 0 N--CA 1.424 -1.758 0 O-C-N 124.366 1.041 . . . . 48.51 108.378 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 564' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -59.91 -43.27 94.97 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 120.291 -1.506 . . . . 63.16 113.352 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 565' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.24 -43.49 87.82 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 125.873 1.983 . . . . 52.14 111.805 173.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 566' ' ' LEU . . . . . . . . . . . . . 9.2 mt -58.63 -42.92 89.35 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 121.323 -0.861 . . . . 50.85 111.906 176.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 567' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -64.61 -34.14 77.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 122.456 1.122 . . . . 68.66 112.351 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 568' ' ' LEU . . . . . 0.511 ' CD2' ' H1 ' ' C' ' 9' ' ' HOH . 82.3 mt -74.07 -41.83 61.11 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 119.172 -1.011 . . . . 53.06 108.57 -175.378 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' N' N ' 569' ' ' THR . . . . . . . . . . . . . 67.7 p -63.48 -36.44 83.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 118.151 -0.928 . . . . 50.39 109.906 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 570' ' ' VAL . . . . . . . . . . . . . 85.1 t -66.57 -42.26 89.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 120.393 1.451 . . . . 47.58 109.41 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 571' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -58.58 -40.39 83.03 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 108.208 -1.034 . . . . 48.92 108.208 175.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 572' ' ' GLY . . . . . . . . . . . . . . . -65.52 -43.83 93.98 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 120.465 1.484 . . . . 45.29 109.986 -177.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 573' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.39 -48.8 85.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.511 0 C-N-CA 123.11 0.564 . . . . 46.58 111.132 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 574' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.37 -38.16 90.05 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 119.826 -1.796 . . . . 57.06 110.432 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 575' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -59.62 -47.75 84.38 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 120.353 -1.467 . . . . 59.04 111.645 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 576' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.68 -35.17 72.68 Favored 'General case' 0 CA--C 1.513 -0.481 0 O-C-N 120.866 -1.146 . . . . 55.72 110.503 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 577' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -66.28 -33.76 76.46 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 121.348 -0.845 . . . . 62.47 112.548 178.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.24 -29.01 70.13 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 119.122 0.874 . . . . 70.22 110.19 -177.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 579' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -97.94 -2.57 40.3 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 117.163 2.283 . . . . 94.12 117.163 -176.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 580' ' ' ILE . . . . . 0.424 ' O ' ' CG2' ' N' ' 580' ' ' ILE . 5.4 mt -138.0 37.81 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.045 0 N-CA-C 101.996 -3.335 . . . . 86.0 101.996 -173.721 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' N' N ' 581' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 115.074 -2.393 . . . . 88.48 111.41 174.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 627' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.458 . . . . . . . . 59.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 628' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -67.73 -24.21 65.35 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 117.629 -3.17 . . . . 59.45 117.836 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 629' ' ' MET . . . . . 0.476 ' H ' ' H1 ' ' C' ' 6' ' ' HOH . 0.0 OUTLIER -76.09 -33.13 59.51 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 117.546 -3.221 . . . . 72.83 109.919 177.582 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 630' ' ' GLU . . . . . 0.692 ' H ' ' H1 ' ' C' ' 8' ' ' HOH . 26.3 tp10 -66.46 -39.18 88.7 Favored 'General case' 0 N--CA 1.443 -0.781 0 O-C-N 120.869 -1.145 . . . . 71.2 111.667 176.562 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 631' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -62.26 -41.97 98.92 Favored 'General case' 0 C--O 1.205 -1.246 0 N-CA-C 107.141 -1.429 . . . . 61.33 107.141 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 632' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -44.69 95.53 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 119.028 -2.295 . . . . 73.19 112.718 178.71 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 633' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -71.29 -41.86 69.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 106.563 -1.643 . . . . 99.82 106.563 -176.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 634' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -65.2 -32.72 74.54 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 119.633 1.106 . . . . 77.59 111.413 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 635' ' ' ILE . . . . . . . . . . . . . 33.5 mm -69.19 -34.91 65.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.398 0 N-CA-C 108.318 -0.993 . . . . 59.27 108.318 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 636' ' ' ASN . . . . . 0.406 HD22 ' H2 ' ' C' ' 42' ' ' HOH . 91.1 m-20 -83.49 -34.69 25.29 Favored 'General case' 0 CA--C 1.495 -1.135 0 O-C-N 118.787 -2.446 . . . . 65.0 108.932 -176.056 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 637' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -57.32 -49.19 76.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.532 1.158 . . . . 68.62 112.254 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 638' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.46 -34.94 65.64 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 118.309 -0.853 . . . . 60.72 110.884 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 639' ' ' THR . . . . . . . . . . . . . 87.8 m -62.05 -37.48 85.11 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-N 119.423 1.01 . . . . 60.1 113.345 174.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 640' ' ' SER . . . . . . . . . . . . . 71.0 m -69.31 -40.78 77.44 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 117.208 -1.377 . . . . 69.53 111.157 177.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.88 -38.68 92.0 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 120.262 1.392 . . . . 56.88 109.574 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 642' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.78 -38.71 73.9 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.156 0 O-C-N 120.242 -1.536 . . . . 57.37 108.552 -178.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 643' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -60.87 -43.05 98.92 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 119.738 -1.851 . . . . 81.84 114.48 173.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 644' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -41.37 96.22 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 124.69 1.244 . . . . 59.92 110.04 178.009 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 645' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.52 -34.92 70.49 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 119.472 1.033 . . . . 51.33 110.999 -177.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 646' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.23 -38.56 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 107.799 -1.186 . . . . 51.17 107.799 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 647' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -69.81 -43.7 71.53 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.34 -0.85 . . . . 83.6 111.307 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 648' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.4 -43.35 99.01 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 119.345 -2.097 . . . . 91.79 109.546 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 649' ' ' SER . . . . . . . . . . . . . 71.0 m -63.22 -39.88 95.88 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 114.119 1.155 . . . . 54.84 114.119 176.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 650' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -39.35 75.99 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 125.818 1.647 . . . . 69.78 110.284 174.794 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 651' ' ' ASN . . . . . 0.454 HD22 ' H1 ' ' C' ' 39' ' ' HOH . 89.9 m-20 -75.41 -46.66 31.5 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.125 0.964 . . . . 59.61 111.045 -179.561 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 652' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -63.52 -32.16 73.53 Favored 'General case' 0 C--O 1.209 -1.034 0 O-C-N 120.416 -1.427 . . . . 51.42 108.13 176.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 653' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -61.66 -44.63 96.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 123.028 2.649 . . . . 52.35 110.603 176.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -64.76 -44.98 88.32 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 123.054 0.221 . . . . 78.9 111.007 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 655' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.21 -41.31 98.26 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 123.092 1.425 . . . . 69.83 112.747 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 656' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -70.1 -42.12 73.14 Favored 'General case' 0 CA--C 1.487 -1.444 0 CA-C-O 115.816 -2.04 . . . . 59.08 107.375 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 657' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.0 -40.58 96.15 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 120.765 1.621 . . . . 72.44 110.465 175.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 658' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -60.05 -42.96 95.6 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 117.046 -1.454 . . . . 73.46 111.154 175.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 659' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.89 -28.32 65.53 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 119.622 1.101 . . . . 90.49 113.529 -176.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 660' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.96 -35.31 80.76 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.609 -1.178 . . . . 64.42 113.196 174.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 661' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 117.242 2.312 . . . . 61.99 117.242 -179.398 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 17' ' ' HOH . . . . . 0.599 ' O ' ' ND2' ' N' ' 554' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 22' ' ' HOH . . . . . 0.745 ' H2 ' ' NE2' ' N' ' 550' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 29' ' ' HOH . . . . . 0.581 ' H1 ' ' H ' ' N' ' 546' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' N' N ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' N' N ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' HOH . . . . . 0.476 ' H1 ' ' H ' ' C' ' 629' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' HOH . . . . . 0.692 ' H1 ' ' H ' ' C' ' 630' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' HOH . . . . . 0.511 ' H1 ' ' CD2' ' N' ' 568' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' HOH . . . . . 0.454 ' H1 ' HD22 ' C' ' 651' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' HOH . . . . . 0.406 ' H2 ' HD22 ' C' ' 636' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 545' ' ' ACE . . . . . 0.53 ' H1 ' ' O ' ' C' ' 1' ' ' HOH . . . . . . . . 0 C--O 1.239 0.518 . . . . . . . . 56.37 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 546' ' ' SER . . . . . . . . . . . . . 76.8 p -65.24 -42.1 93.67 Favored 'General case' 0 CA--C 1.496 -1.134 0 O-C-N 120.713 -1.242 . . . . 57.84 112.164 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 547' ' ' GLY . . . . . . . . . . . . . . . -64.34 -33.47 87.33 Favored Glycine 0 C--N 1.345 1.034 0 O-C-N 124.768 1.292 . . . . 55.59 111.558 -177.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 548' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.1 -48.78 72.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 125.993 1.717 . . . . 56.29 112.043 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 549' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.02 -40.11 86.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.131 0.491 . . . . 54.97 110.383 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 550' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -50.49 72.69 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 126.059 1.744 . . . . 71.73 109.899 175.173 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' N' N ' 551' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -60.36 -40.28 90.22 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 119.079 -2.263 . . . . 47.87 110.478 178.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 552' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -59.91 -37.72 80.25 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.84 1.305 . . . . 59.31 113.225 177.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 553' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -67.15 -41.1 86.62 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.303 -1.317 . . . . 59.01 109.767 175.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 554' ' ' ASN . . . . . 0.599 ' ND2' ' O ' ' N' ' 17' ' ' HOH . 85.8 m-20 -66.73 -37.38 84.56 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.584 -0.735 . . . . 52.7 110.951 179.408 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' N' N ' 555' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.61 -49.28 60.53 Favored 'General case' 0 N--CA 1.437 -1.123 0 O-C-N 121.826 -0.546 . . . . 41.19 110.141 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 556' ' ' LEU . . . . . . . . . . . . . 40.4 tp -56.16 -43.4 78.3 Favored 'General case' 0 CA--C 1.5 -0.962 0 C-N-CA 124.436 1.095 . . . . 40.28 110.595 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 557' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -66.38 -34.69 78.52 Favored 'General case' 0 C--N 1.315 -0.892 0 O-C-N 121.217 -0.927 . . . . 64.47 108.974 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 558' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.44 92.82 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.726 -1.234 . . . . 41.9 112.369 178.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 559' ' ' ILE . . . . . . . . . . . . . 96.1 mt -66.36 -41.14 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.004 0.921 . . . . 41.89 109.585 176.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 560' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.79 -38.38 83.29 Favored 'General case' 0 N--CA 1.438 -1.031 0 O-C-N 119.727 -1.858 . . . . 58.21 108.5 -178.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 561' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.86 94.13 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.142 -0.974 . . . . 42.7 108.456 179.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 562' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -70.26 -30.38 67.4 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 118.849 -1.141 . . . . 54.5 112.965 -179.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 563' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -63.15 -42.52 99.46 Favored 'General case' 0 N--CA 1.424 -1.758 0 O-C-N 124.366 1.041 . . . . 48.51 108.378 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 564' ' ' HIS . . . . . 0.631 ' O ' ' HG ' ' N' ' 568' ' ' LEU . 64.2 m170 -59.91 -43.27 94.97 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 120.291 -1.506 . . . . 63.16 113.352 175.78 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' N' N ' 565' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.24 -43.49 87.82 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 125.873 1.983 . . . . 52.14 111.805 173.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 566' ' ' LEU . . . . . 0.409 ' O ' HG23 ' N' ' 570' ' ' VAL . 9.2 mt -58.63 -42.92 89.35 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 121.323 -0.861 . . . . 50.85 111.906 176.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' N' N ' 567' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' N' ' 567' ' ' GLN . 32.2 mm-40 -64.61 -34.14 77.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 122.456 1.122 . . . . 68.66 112.351 178.002 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' N' N ' 568' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' N' ' 564' ' ' HIS . 82.3 mt -74.07 -41.83 61.11 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 119.172 -1.011 . . . . 53.06 108.57 -175.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' N' N ' 569' ' ' THR . . . . . . . . . . . . . 67.7 p -63.48 -36.44 83.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 118.151 -0.928 . . . . 50.39 109.906 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 570' ' ' VAL . . . . . 0.409 HG23 ' O ' ' N' ' 566' ' ' LEU . 85.1 t -66.57 -42.26 89.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 120.393 1.451 . . . . 47.58 109.41 178.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' N' N ' 571' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -58.58 -40.39 83.03 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 108.208 -1.034 . . . . 48.92 108.208 175.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 572' ' ' GLY . . . . . . . . . . . . . . . -65.52 -43.83 93.98 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 120.465 1.484 . . . . 45.29 109.986 -177.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 573' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.39 -48.8 85.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.511 0 C-N-CA 123.11 0.564 . . . . 46.58 111.132 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 574' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.37 -38.16 90.05 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 119.826 -1.796 . . . . 57.06 110.432 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 575' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -59.62 -47.75 84.38 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 120.353 -1.467 . . . . 59.04 111.645 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 576' ' ' LEU . . . . . 0.493 ' O ' HD12 ' N' ' 580' ' ' ILE . 88.8 mt -70.68 -35.17 72.68 Favored 'General case' 0 CA--C 1.513 -0.481 0 O-C-N 120.866 -1.146 . . . . 55.72 110.503 -179.283 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' N' N ' 577' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -66.28 -33.76 76.46 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 121.348 -0.845 . . . . 62.47 112.548 178.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.24 -29.01 70.13 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 119.122 0.874 . . . . 70.22 110.19 -177.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 579' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -97.94 -2.57 40.3 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 117.163 2.283 . . . . 94.12 117.163 -176.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 580' ' ' ILE . . . . . 0.594 HG22 ' O ' ' N' ' 580' ' ' ILE . 5.4 mt -138.0 37.81 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.045 0 N-CA-C 101.996 -3.335 . . . . 86.0 101.996 -173.721 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' N' N ' 581' ' ' LEU . . . . . 0.441 HD13 ' O ' ' N' ' 580' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 115.074 -2.393 . . . . 88.48 111.41 174.073 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 627' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.458 . . . . . . . . 59.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 628' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -67.73 -24.21 65.35 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 117.629 -3.17 . . . . 59.45 117.836 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 629' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -33.13 59.51 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 117.546 -3.221 . . . . 72.83 109.919 177.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 630' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -66.46 -39.18 88.7 Favored 'General case' 0 N--CA 1.443 -0.781 0 O-C-N 120.869 -1.145 . . . . 71.2 111.667 176.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 631' ' ' TRP . . . . . 0.616 ' O ' HG12 ' C' ' 635' ' ' ILE . 84.1 t90 -62.26 -41.97 98.92 Favored 'General case' 0 C--O 1.205 -1.246 0 N-CA-C 107.141 -1.429 . . . . 61.33 107.141 178.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 632' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -44.69 95.53 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 119.028 -2.295 . . . . 73.19 112.718 178.71 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 633' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -71.29 -41.86 69.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 106.563 -1.643 . . . . 99.82 106.563 -176.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 634' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -65.2 -32.72 74.54 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 119.633 1.106 . . . . 77.59 111.413 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 635' ' ' ILE . . . . . 0.616 HG12 ' O ' ' C' ' 631' ' ' TRP . 33.5 mm -69.19 -34.91 65.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.398 0 N-CA-C 108.318 -0.993 . . . . 59.27 108.318 177.203 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 636' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -83.49 -34.69 25.29 Favored 'General case' 0 CA--C 1.495 -1.135 0 O-C-N 118.787 -2.446 . . . . 65.0 108.932 -176.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 637' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -57.32 -49.19 76.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.532 1.158 . . . . 68.62 112.254 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 638' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.46 -34.94 65.64 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 118.309 -0.853 . . . . 60.72 110.884 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 639' ' ' THR . . . . . . . . . . . . . 87.8 m -62.05 -37.48 85.11 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-N 119.423 1.01 . . . . 60.1 113.345 174.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 640' ' ' SER . . . . . . . . . . . . . 71.0 m -69.31 -40.78 77.44 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 117.208 -1.377 . . . . 69.53 111.157 177.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.88 -38.68 92.0 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 120.262 1.392 . . . . 56.88 109.574 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 642' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.78 -38.71 73.9 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.156 0 O-C-N 120.242 -1.536 . . . . 57.37 108.552 -178.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 643' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -60.87 -43.05 98.92 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 119.738 -1.851 . . . . 81.84 114.48 173.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 644' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -41.37 96.22 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 124.69 1.244 . . . . 59.92 110.04 178.009 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 645' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.52 -34.92 70.49 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 119.472 1.033 . . . . 51.33 110.999 -177.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 646' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.23 -38.56 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 107.799 -1.186 . . . . 51.17 107.799 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 647' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -69.81 -43.7 71.53 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.34 -0.85 . . . . 83.6 111.307 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 648' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.4 -43.35 99.01 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 119.345 -2.097 . . . . 91.79 109.546 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 649' ' ' SER . . . . . . . . . . . . . 71.0 m -63.22 -39.88 95.88 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 114.119 1.155 . . . . 54.84 114.119 176.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 650' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -39.35 75.99 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 125.818 1.647 . . . . 69.78 110.284 174.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 651' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -75.41 -46.66 31.5 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.125 0.964 . . . . 59.61 111.045 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 652' ' ' GLN . . . . . 0.636 ' HG3' HD21 ' C' ' 656' ' ' ASN . 37.3 tp60 -63.52 -32.16 73.53 Favored 'General case' 0 C--O 1.209 -1.034 0 O-C-N 120.416 -1.427 . . . . 51.42 108.13 176.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 653' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' C' ' 657' ' ' GLU . 29.2 tp60 -61.66 -44.63 96.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 123.028 2.649 . . . . 52.35 110.603 176.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -64.76 -44.98 88.32 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 123.054 0.221 . . . . 78.9 111.007 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 655' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.21 -41.31 98.26 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 123.092 1.425 . . . . 69.83 112.747 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 656' ' ' ASN . . . . . 0.636 HD21 ' HG3' ' C' ' 652' ' ' GLN . 91.3 m-20 -70.1 -42.12 73.14 Favored 'General case' 0 CA--C 1.487 -1.444 0 CA-C-O 115.816 -2.04 . . . . 59.08 107.375 -178.931 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 657' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' C' ' 653' ' ' GLN . 95.3 mt-10 -62.0 -40.58 96.15 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 120.765 1.621 . . . . 72.44 110.465 175.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 658' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -60.05 -42.96 95.6 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 117.046 -1.454 . . . . 73.46 111.154 175.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 659' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.89 -28.32 65.53 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 119.622 1.101 . . . . 90.49 113.529 -176.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 660' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.96 -35.31 80.76 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.609 -1.178 . . . . 64.42 113.196 174.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 661' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 117.242 2.312 . . . . 61.99 117.242 -179.398 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 17' ' ' HOH . . . . . 0.599 ' O ' ' ND2' ' N' ' 554' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' N' N ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' N' N ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' HOH . . . . . 0.53 ' O ' ' H1 ' ' N' ' 545' ' ' ACE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 9' ' ' HOH . . . . . 0.492 ' O ' HD22 ' N' ' 568' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 545' ' ' ACE . . . . . 0.53 ' H1 ' ' O ' ' C' ' 1' ' ' HOH . . . . . . . . 0 C--O 1.239 0.518 . . . . . . . . 56.37 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 546' ' ' SER . . . . . . . . . . . . . 76.8 p -65.24 -42.1 93.67 Favored 'General case' 0 CA--C 1.496 -1.134 0 O-C-N 120.713 -1.242 . . . . 57.84 112.164 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 547' ' ' GLY . . . . . . . . . . . . . . . -64.34 -33.47 87.33 Favored Glycine 0 C--N 1.345 1.034 0 O-C-N 124.768 1.292 . . . . 55.59 111.558 -177.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 548' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.1 -48.78 72.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 125.993 1.717 . . . . 56.29 112.043 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 549' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.02 -40.11 86.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.131 0.491 . . . . 54.97 110.383 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 550' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -50.49 72.69 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 126.059 1.744 . . . . 71.73 109.899 175.173 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' N' N ' 551' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -60.36 -40.28 90.22 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 119.079 -2.263 . . . . 47.87 110.478 178.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 552' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -59.91 -37.72 80.25 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.84 1.305 . . . . 59.31 113.225 177.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 553' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -67.15 -41.1 86.62 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.303 -1.317 . . . . 59.01 109.767 175.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 554' ' ' ASN . . . . . 0.599 ' ND2' ' O ' ' N' ' 17' ' ' HOH . 85.8 m-20 -66.73 -37.38 84.56 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.584 -0.735 . . . . 52.7 110.951 179.408 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' N' N ' 555' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.61 -49.28 60.53 Favored 'General case' 0 N--CA 1.437 -1.123 0 O-C-N 121.826 -0.546 . . . . 41.19 110.141 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 556' ' ' LEU . . . . . . . . . . . . . 40.4 tp -56.16 -43.4 78.3 Favored 'General case' 0 CA--C 1.5 -0.962 0 C-N-CA 124.436 1.095 . . . . 40.28 110.595 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 557' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -66.38 -34.69 78.52 Favored 'General case' 0 C--N 1.315 -0.892 0 O-C-N 121.217 -0.927 . . . . 64.47 108.974 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 558' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.44 92.82 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.726 -1.234 . . . . 41.9 112.369 178.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 559' ' ' ILE . . . . . . . . . . . . . 96.1 mt -66.36 -41.14 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.004 0.921 . . . . 41.89 109.585 176.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 560' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.79 -38.38 83.29 Favored 'General case' 0 N--CA 1.438 -1.031 0 O-C-N 119.727 -1.858 . . . . 58.21 108.5 -178.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 561' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.86 94.13 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.142 -0.974 . . . . 42.7 108.456 179.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 562' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -70.26 -30.38 67.4 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 118.849 -1.141 . . . . 54.5 112.965 -179.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 563' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -63.15 -42.52 99.46 Favored 'General case' 0 N--CA 1.424 -1.758 0 O-C-N 124.366 1.041 . . . . 48.51 108.378 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 564' ' ' HIS . . . . . 0.631 ' O ' ' HG ' ' N' ' 568' ' ' LEU . 64.2 m170 -59.91 -43.27 94.97 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 120.291 -1.506 . . . . 63.16 113.352 175.78 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' N' N ' 565' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.24 -43.49 87.82 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 125.873 1.983 . . . . 52.14 111.805 173.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 566' ' ' LEU . . . . . 0.409 ' O ' HG23 ' N' ' 570' ' ' VAL . 9.2 mt -58.63 -42.92 89.35 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 121.323 -0.861 . . . . 50.85 111.906 176.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' N' N ' 567' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' N' ' 567' ' ' GLN . 32.2 mm-40 -64.61 -34.14 77.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 122.456 1.122 . . . . 68.66 112.351 178.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' N' N ' 568' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' N' ' 564' ' ' HIS . 82.3 mt -74.07 -41.83 61.11 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 119.172 -1.011 . . . . 53.06 108.57 -175.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' N' N ' 569' ' ' THR . . . . . . . . . . . . . 67.7 p -63.48 -36.44 83.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 118.151 -0.928 . . . . 50.39 109.906 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 570' ' ' VAL . . . . . 0.409 HG23 ' O ' ' N' ' 566' ' ' LEU . 85.1 t -66.57 -42.26 89.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 120.393 1.451 . . . . 47.58 109.41 178.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' N' N ' 571' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -58.58 -40.39 83.03 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 108.208 -1.034 . . . . 48.92 108.208 175.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 572' ' ' GLY . . . . . . . . . . . . . . . -65.52 -43.83 93.98 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 120.465 1.484 . . . . 45.29 109.986 -177.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 573' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.39 -48.8 85.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.511 0 C-N-CA 123.11 0.564 . . . . 46.58 111.132 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 574' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.37 -38.16 90.05 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 119.826 -1.796 . . . . 57.06 110.432 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 575' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -59.62 -47.75 84.38 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 120.353 -1.467 . . . . 59.04 111.645 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 576' ' ' LEU . . . . . 0.493 ' O ' HD12 ' N' ' 580' ' ' ILE . 88.8 mt -70.68 -35.17 72.68 Favored 'General case' 0 CA--C 1.513 -0.481 0 O-C-N 120.866 -1.146 . . . . 55.72 110.503 -179.283 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' N' N ' 577' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -66.28 -33.76 76.46 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 121.348 -0.845 . . . . 62.47 112.548 178.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 578' ' ' ALA . . . . . . . . . . . . . . . -64.24 -29.01 70.13 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 119.122 0.874 . . . . 70.22 110.19 -177.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 579' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -97.94 -2.57 40.3 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 117.163 2.283 . . . . 94.12 117.163 -176.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 580' ' ' ILE . . . . . 0.594 HG22 ' O ' ' N' ' 580' ' ' ILE . 5.4 mt -138.0 37.81 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.045 0 N-CA-C 101.996 -3.335 . . . . 86.0 101.996 -173.721 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' N' N ' 581' ' ' LEU . . . . . 0.441 HD13 ' O ' ' N' ' 580' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 115.074 -2.393 . . . . 88.48 111.41 174.073 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 627' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.458 . . . . . . . . 59.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 628' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -67.73 -24.21 65.35 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 117.629 -3.17 . . . . 59.45 117.836 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 629' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -33.13 59.51 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 117.546 -3.221 . . . . 72.83 109.919 177.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 630' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -66.46 -39.18 88.7 Favored 'General case' 0 N--CA 1.443 -0.781 0 O-C-N 120.869 -1.145 . . . . 71.2 111.667 176.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 631' ' ' TRP . . . . . 0.616 ' O ' HG12 ' C' ' 635' ' ' ILE . 84.1 t90 -62.26 -41.97 98.92 Favored 'General case' 0 C--O 1.205 -1.246 0 N-CA-C 107.141 -1.429 . . . . 61.33 107.141 178.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 632' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -44.69 95.53 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 119.028 -2.295 . . . . 73.19 112.718 178.71 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 633' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -71.29 -41.86 69.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 106.563 -1.643 . . . . 99.82 106.563 -176.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 634' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -65.2 -32.72 74.54 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 119.633 1.106 . . . . 77.59 111.413 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 635' ' ' ILE . . . . . 0.616 HG12 ' O ' ' C' ' 631' ' ' TRP . 33.5 mm -69.19 -34.91 65.55 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.398 0 N-CA-C 108.318 -0.993 . . . . 59.27 108.318 177.203 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 636' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -83.49 -34.69 25.29 Favored 'General case' 0 CA--C 1.495 -1.135 0 O-C-N 118.787 -2.446 . . . . 65.0 108.932 -176.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 637' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -57.32 -49.19 76.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.532 1.158 . . . . 68.62 112.254 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 638' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.46 -34.94 65.64 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 118.309 -0.853 . . . . 60.72 110.884 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 639' ' ' THR . . . . . . . . . . . . . 87.8 m -62.05 -37.48 85.11 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-N 119.423 1.01 . . . . 60.1 113.345 174.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 640' ' ' SER . . . . . . . . . . . . . 71.0 m -69.31 -40.78 77.44 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 117.208 -1.377 . . . . 69.53 111.157 177.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 641' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.88 -38.68 92.0 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 120.262 1.392 . . . . 56.88 109.574 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 642' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.78 -38.71 73.9 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.156 0 O-C-N 120.242 -1.536 . . . . 57.37 108.552 -178.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 643' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -60.87 -43.05 98.92 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 119.738 -1.851 . . . . 81.84 114.48 173.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 644' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -41.37 96.22 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 124.69 1.244 . . . . 59.92 110.04 178.009 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 645' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.52 -34.92 70.49 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 119.472 1.033 . . . . 51.33 110.999 -177.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 646' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.23 -38.56 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 107.799 -1.186 . . . . 51.17 107.799 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 647' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -69.81 -43.7 71.53 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.34 -0.85 . . . . 83.6 111.307 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 648' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.4 -43.35 99.01 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 119.345 -2.097 . . . . 91.79 109.546 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 649' ' ' SER . . . . . . . . . . . . . 71.0 m -63.22 -39.88 95.88 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 114.119 1.155 . . . . 54.84 114.119 176.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 650' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -39.35 75.99 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 125.818 1.647 . . . . 69.78 110.284 174.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 651' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -75.41 -46.66 31.5 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-O 122.125 0.964 . . . . 59.61 111.045 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 652' ' ' GLN . . . . . 0.636 ' HG3' HD21 ' C' ' 656' ' ' ASN . 37.3 tp60 -63.52 -32.16 73.53 Favored 'General case' 0 C--O 1.209 -1.034 0 O-C-N 120.416 -1.427 . . . . 51.42 108.13 176.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 653' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' C' ' 657' ' ' GLU . 29.2 tp60 -61.66 -44.63 96.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 123.028 2.649 . . . . 52.35 110.603 176.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 654' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -64.76 -44.98 88.32 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 123.054 0.221 . . . . 78.9 111.007 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 655' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.21 -41.31 98.26 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 123.092 1.425 . . . . 69.83 112.747 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 656' ' ' ASN . . . . . 0.636 HD21 ' HG3' ' C' ' 652' ' ' GLN . 91.3 m-20 -70.1 -42.12 73.14 Favored 'General case' 0 CA--C 1.487 -1.444 0 CA-C-O 115.816 -2.04 . . . . 59.08 107.375 -178.931 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 657' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' C' ' 653' ' ' GLN . 95.3 mt-10 -62.0 -40.58 96.15 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 120.765 1.621 . . . . 72.44 110.465 175.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 658' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -60.05 -42.96 95.6 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 117.046 -1.454 . . . . 73.46 111.154 175.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 659' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.89 -28.32 65.53 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 119.622 1.101 . . . . 90.49 113.529 -176.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 660' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.96 -35.31 80.76 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.609 -1.178 . . . . 64.42 113.196 174.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 661' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 117.242 2.312 . . . . 61.99 117.242 -179.398 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 17' ' ' HOH . . . . . 0.599 ' O ' ' ND2' ' N' ' 554' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' N' N ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' N' N ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' HOH . . . . . 0.53 ' O ' ' H1 ' ' N' ' 545' ' ' ACE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' HOH . . . . . 0.492 ' O ' HD22 ' N' ' 568' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_