data_6u8i_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6u8i _Structure_validation_residue.Date_analyzed 2020-08-14 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.761 0.315 . . . . 49.12 111.006 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -69.75 -31.44 69.4 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.887 -0.725 . . . . 60.32 111.348 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -76.08 -27.61 57.25 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.413 -0.515 . . . . 52.44 111.862 174.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 34.0 mt -67.36 -33.23 74.8 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.123 -0.631 . . . . 43.77 111.363 173.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 355' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.03 -33.86 76.77 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.281 -0.568 . . . . 57.27 111.298 173.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 356' ' ' CYS . . . . . . . . . . . . . 85.4 m -67.35 -36.49 81.5 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.377 -0.529 . . . . 39.39 111.041 174.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 357' ' ' CYS . . . . . . . . . . . . . 73.2 m -62.28 -35.77 80.03 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.54 -0.464 . . . . 29.51 111.187 176.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 47.5 t -68.9 -34.07 74.81 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.184 -0.606 . . . . 30.3 111.446 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 359' ' ' GLY . . . . . . . . . . . . . . . -72.17 -35.21 60.81 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 119.996 -1.097 . . . . 29.47 112.464 176.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 360' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.03 -47.12 91.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 122.267 -0.549 . . . . 30.39 110.174 176.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.9 -29.72 70.68 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.313 -0.555 . . . . 25.45 111.475 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.76 -41.28 88.03 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.439 -0.504 . . . . 38.24 111.22 177.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 363' ' ' GLU . . . . . 0.437 ' OE1' ' NH1' ' A' ' 453' ' ' ARG . 52.5 tt0 -70.54 -34.16 71.97 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.873 -0.731 . . . . 46.41 111.494 175.261 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 364' ' ' MET . . . . . . . . . . . . . 92.9 mtp -60.9 -27.19 67.99 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.278 -0.569 . . . . 26.82 111.369 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 365' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -87.42 -12.39 46.31 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.208 0.818 . . . . 27.56 113.208 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -65.57 156.99 30.96 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 122.005 0.907 . . . . 21.45 111.191 -173.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 367' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -65.42 -18.29 65.2 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.097 -0.956 . . . . 59.89 112.417 -178.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -64.3 -29.59 70.67 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.322 -0.551 . . . . 47.04 111.755 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 369' ' ' HIS . . . . . 0.591 ' ND1' ' OH ' ' A' ' 372' ' ' TYR . 88.0 m-70 -109.6 5.42 23.04 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.0 0.741 . . . . 29.84 113.0 -177.19 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -62.6 -28.78 70.13 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.415 0.524 . . . . 26.55 112.415 -169.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -66.07 -23.49 66.54 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.781 0.66 . . . . 28.98 112.781 -175.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 372' ' ' TYR . . . . . 0.591 ' OH ' ' ND1' ' A' ' 369' ' ' HIS . 15.3 p90 -122.18 -8.28 8.75 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.991 1.108 . . . . 28.89 113.991 176.01 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -95.91 -15.49 22.37 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.526 0.935 . . . . 27.39 113.526 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 374' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -62.28 -31.42 7.6 Favored Pre-proline 0 C--O 1.243 0.746 0 N-CA-C 115.254 1.576 . . . . 26.66 115.254 -173.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 375' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -62.96 -12.08 27.78 Favored 'Trans proline' 0 C--O 1.238 0.5 0 CA-C-N 122.467 1.917 . . . . 23.7 113.964 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -110.67 7.94 22.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 118.647 0.658 . . . . 22.63 112.409 -176.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 377' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -63.2 -49.19 75.2 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.793 0.33 . . . . 26.22 111.439 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -123.9 162.6 40.19 Favored Pre-proline 0 C--O 1.237 0.439 0 C-N-CA 123.614 0.766 . . . . 42.09 111.058 -169.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.07 148.38 89.51 Favored 'Trans proline' 0 C--O 1.233 0.247 0 CA-C-O 121.738 0.641 . . . . 31.88 112.118 -178.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 93.6 t -72.15 105.33 2.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 108.059 -1.089 . . . . 31.32 108.059 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -76.77 97.68 4.58 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.05 -1.093 . . . . 41.38 108.05 178.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 29.7 m -66.33 -29.73 47.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 120.309 -0.556 . . . . 33.7 111.119 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 383' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -77.13 -43.45 34.0 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 121.804 -0.56 . . . . 56.32 111.54 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 384' ' ' ALA . . . . . . . . . . . . . . . -75.82 -31.72 59.5 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.033 -0.667 . . . . 32.8 111.816 -176.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 385' ' ' LEU . . . . . 0.483 ' O ' ' NE2' ' B' ' 12' ' ' HIS . 71.5 mt -87.88 -8.08 56.32 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.351 0.871 . . . . 37.02 113.351 -177.133 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 386' ' ' GLY . . . . . . . . . . . . . . . 68.24 37.53 86.68 Favored Glycine 0 C--O 1.237 0.337 0 C-N-CA 120.798 -0.715 . . . . 41.24 114.271 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 65.5 mt -102.25 75.34 1.48 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.74 -1.207 . . . . 34.97 107.74 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 388' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -76.68 8.48 3.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.219 -0.9 . . . . 39.42 113.332 -171.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 389' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -123.76 5.37 8.8 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.386 0.539 . . . . 47.64 112.091 173.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -68.67 -46.88 67.93 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 117.953 0.342 . . . . 30.48 111.419 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 391' ' ' CYS . . . . . . . . . . . . . 86.6 m -66.96 -24.09 66.03 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.623 0.601 . . . . 41.73 112.623 -177.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -75.15 -30.56 60.8 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.461 -0.496 . . . . 55.93 111.777 174.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 393' ' ' ILE . . . . . . . . . . . . . 95.0 mt -91.47 -43.51 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.586 0.231 . . . . 34.95 111.381 -178.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 45.7 mm -101.68 110.04 27.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 107.935 -1.135 . . . . 34.97 107.935 -177.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -89.66 -21.47 22.75 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 113.144 0.794 . . . . 56.01 113.144 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -133.26 81.96 54.56 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 108.731 -0.84 . . . . 38.11 108.731 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 397' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.18 156.53 64.6 Favored 'Trans proline' 0 C--N 1.33 -0.415 0 CA-C-O 121.978 0.741 . . . . 33.42 111.275 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 398' ' ' MET . . . . . . . . . . . . . 37.5 tpp -158.42 145.87 17.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.983 -1.008 . . . . 28.89 108.945 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 399' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -145.16 170.08 16.94 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.571 -0.741 . . . . 27.27 109.008 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 400' ' ' MET . . . . . . . . . . . . . 75.8 mtp -67.15 -32.08 72.95 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.375 -0.829 . . . . 24.16 112.056 -178.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 73.4 m -71.46 -38.79 71.24 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.133 -0.627 . . . . 28.52 111.358 -179.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 71.4 m -65.22 -44.1 89.35 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.215 -0.594 . . . . 29.44 110.944 175.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.66 -40.27 74.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.929 0.395 . . . . 26.48 110.503 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -64.2 -41.97 96.84 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.453 -0.499 . . . . 45.58 111.29 179.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' SER . . . . . . . . . . . . . 87.2 p -67.28 -32.18 73.0 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.171 -0.612 . . . . 41.31 111.595 178.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -74.41 -29.56 61.57 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.461 -0.496 . . . . 32.42 111.638 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.77 -40.28 76.17 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.26 -0.576 . . . . 30.75 111.052 172.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.24 -35.39 79.46 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.5 -0.48 . . . . 59.97 111.229 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -83.04 1.47 39.9 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.883 0.697 . . . . 33.04 112.883 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 58.21 39.78 25.49 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.319 0.58 . . . . 48.91 111.312 179.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -78.6 -30.81 46.82 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.182 -0.463 . . . . 37.08 112.144 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -77.05 128.72 34.98 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.992 0.36 . . . . 31.76 110.035 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -75.62 -42.36 51.91 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.5 -0.48 . . . . 48.71 111.599 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -137.6 -179.24 5.63 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.163 -0.68 . . . . 56.27 109.163 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -71.2 -26.01 62.76 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.606 -0.725 . . . . 34.73 111.788 179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -69.4 -35.64 75.96 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.288 -0.565 . . . . 40.53 111.274 -178.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.89 -36.37 75.36 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.838 -0.745 . . . . 31.84 111.085 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -60.6 -47.41 86.32 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.827 0.346 . . . . 29.5 110.931 173.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -64.82 -28.86 73.94 Favored Glycine 0 C--N 1.335 0.494 0 C-N-CA 120.363 -0.922 . . . . 27.49 113.278 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.12 87.96 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.217 -0.593 . . . . 25.88 111.18 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 421' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.51 -37.37 79.99 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.232 -0.587 . . . . 34.7 111.235 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.19 -43.63 98.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.07 0.462 . . . . 25.15 110.361 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -73.51 -28.12 61.74 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.372 -0.531 . . . . 26.7 111.711 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.49 -40.91 98.2 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.28 -0.568 . . . . 23.62 110.882 172.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 425' ' ' MET . . . . . . . . . . . . . 54.0 ttp -59.06 -39.69 82.83 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 120.618 0.246 . . . . 24.38 111.292 177.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -74.7 -39.05 62.18 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.393 -0.523 . . . . 24.72 111.44 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 70.8 m -63.06 -37.05 85.66 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.498 -0.481 . . . . 32.69 111.35 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 428' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -60.29 -40.36 90.17 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.356 -0.538 . . . . 29.48 111.118 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.36 -43.07 78.24 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.37 -0.532 . . . . 24.33 111.359 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 430' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -65.18 -31.27 72.36 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.414 -0.514 . . . . 27.34 111.564 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -77.11 -43.86 32.62 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.841 -0.344 . . . . 55.29 111.861 -177.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -80.55 -37.86 30.64 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.3 0.482 . . . . 34.87 112.3 -173.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 433' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -93.49 155.8 40.41 Favored Pre-proline 0 C--O 1.235 0.338 0 C-N-CA 118.669 -1.212 . . . . 28.8 111.339 -172.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 434' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -65.37 154.38 73.88 Favored 'Trans proline' 0 C--O 1.244 0.783 0 N-CA-C 110.642 -0.561 . . . . 29.96 110.642 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.57 -35.17 82.89 Favored 'Trans proline' 0 C--O 1.238 0.478 0 N-CA-C 113.774 0.644 . . . . 29.49 113.774 -176.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 436' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -84.97 5.52 28.84 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 113.094 0.776 . . . . 48.32 113.094 -178.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 437' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -70.78 147.57 48.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.574 0.702 . . . . 33.87 110.642 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -63.48 -31.75 73.0 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.447 -0.797 . . . . 57.42 111.87 -177.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.77 -21.05 22.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.569 -0.452 . . . . 29.89 111.544 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.26 -40.38 65.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.4 -0.52 . . . . 28.19 110.382 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.57 91.4 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.28 -0.568 . . . . 25.87 111.094 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 76.7 mtp -65.95 -30.43 71.0 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.57 -0.452 . . . . 24.56 111.538 176.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 443' ' ' ALA . . . . . . . . . . . . . . . -72.68 -39.51 67.0 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.445 -0.502 . . . . 23.46 111.304 178.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -63.6 -36.25 83.18 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.053 -0.659 . . . . 50.2 111.038 176.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -61.6 -52.84 62.72 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.593 -0.443 . . . . 33.49 111.138 177.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 29.0 tp -66.6 -35.18 79.58 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.226 -0.59 . . . . 27.56 111.295 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -66.62 -37.69 85.38 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.935 -0.706 . . . . 29.52 111.141 178.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -62.04 -37.84 86.47 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.217 -0.593 . . . . 51.62 110.971 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.65 -41.87 93.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 120.451 -0.5 . . . . 27.75 110.316 175.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.79 -51.79 51.57 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.906 -0.496 . . . . 26.4 111.389 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -58.82 -37.94 77.55 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.677 -0.409 . . . . 27.05 111.517 -174.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 80.1 mmm -65.73 -50.09 66.06 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.341 -0.544 . . . . 45.86 111.199 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 453' ' ' ARG . . . . . 0.437 ' NH1' ' OE1' ' A' ' 363' ' ' GLU . 27.0 mtp180 -70.72 -34.79 72.28 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.969 -0.693 . . . . 55.02 111.461 -179.526 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 454' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -66.16 -36.68 83.76 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.13 -0.628 . . . . 34.18 111.065 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -74.68 -39.81 61.76 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 122.182 -0.324 . . . . 34.28 111.565 177.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -74.3 10.31 1.33 Allowed 'General case' 0 C--O 1.238 0.484 0 CA-C-O 118.174 -0.917 . . . . 38.68 113.232 177.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 457' ' ' MET . . . . . . . . . . . . . 49.3 ttm -65.96 136.39 95.59 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 119.142 0.883 . . . . 51.71 110.246 -177.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.32 135.82 70.51 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 120.145 0.563 . . . . 63.34 111.284 176.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.557 -0.747 . . . . 80.42 111.328 -174.566 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 44.71 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -90.13 -23.74 21.28 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.151 0.426 . . . . 37.19 112.151 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -82.7 169.05 16.64 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.976 0.893 . . . . 35.59 110.61 -174.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -58.69 -39.62 81.24 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.257 -0.883 . . . . 28.08 110.709 173.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.17 -37.15 84.92 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.63 -0.428 . . . . 33.51 111.623 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' CYS . . . . . . . . . . . . . 33.7 t -66.55 -45.69 78.54 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.015 -0.674 . . . . 33.13 111.178 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -64.53 -37.77 88.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.203 0.525 . . . . 48.77 110.472 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -62.12 -47.91 82.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.193 -1.367 . . . . 45.06 111.373 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.19 -27.54 64.59 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.249 -0.58 . . . . 39.45 111.851 -178.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 46.0 tp -71.78 -44.44 63.99 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.194 -0.602 . . . . 37.17 111.382 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mm -73.34 -54.57 15.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.031 0.443 . . . . 39.52 110.53 -176.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' HIS . . . . . 0.483 ' NE2' ' O ' ' A' ' 385' ' ' LEU . 96.8 m-70 -76.43 -24.38 53.98 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.925 -0.484 . . . . 40.45 111.621 -177.453 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.429 4.064 2 O-C-N 109.57 -8.206 . . . . 31.9 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.761 0.315 . . . . 49.12 111.006 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -69.75 -31.44 69.4 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.887 -0.725 . . . . 60.32 111.348 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -76.08 -27.61 57.25 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.413 -0.515 . . . . 52.44 111.862 174.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 34.0 mt -67.36 -33.23 74.8 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.123 -0.631 . . . . 43.77 111.363 173.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 355' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.03 -33.86 76.77 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.281 -0.568 . . . . 57.27 111.298 173.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 356' ' ' CYS . . . . . . . . . . . . . 85.4 m -67.35 -36.49 81.5 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.377 -0.529 . . . . 39.39 111.041 174.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 357' ' ' CYS . . . . . . . . . . . . . 73.2 m -62.28 -35.77 80.03 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.54 -0.464 . . . . 29.51 111.187 176.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 47.5 t -68.9 -34.07 74.81 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.184 -0.606 . . . . 30.3 111.446 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 359' ' ' GLY . . . . . . . . . . . . . . . -72.17 -35.21 60.81 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 119.996 -1.097 . . . . 29.47 112.464 176.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 360' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.03 -47.12 91.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 122.267 -0.549 . . . . 30.39 110.174 176.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.9 -29.72 70.68 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.313 -0.555 . . . . 25.45 111.475 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.76 -41.28 88.03 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.439 -0.504 . . . . 38.24 111.22 177.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 363' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -70.54 -34.16 71.97 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.873 -0.731 . . . . 46.41 111.494 175.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 364' ' ' MET . . . . . . . . . . . . . 92.9 mtp -60.9 -27.19 67.99 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.278 -0.569 . . . . 26.82 111.369 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 365' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -87.42 -12.39 46.31 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.208 0.818 . . . . 27.56 113.208 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -65.57 156.99 30.96 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 122.005 0.907 . . . . 21.45 111.191 -173.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 367' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -65.42 -18.29 65.2 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.097 -0.956 . . . . 59.89 112.417 -178.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -64.3 -29.59 70.67 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.322 -0.551 . . . . 47.04 111.755 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -109.6 5.42 23.04 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.0 0.741 . . . . 29.84 113.0 -177.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -62.6 -28.78 70.13 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.415 0.524 . . . . 26.55 112.415 -169.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -66.07 -23.49 66.54 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.781 0.66 . . . . 28.98 112.781 -175.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 372' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -122.18 -8.28 8.75 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.991 1.108 . . . . 28.89 113.991 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -95.91 -15.49 22.37 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.526 0.935 . . . . 27.39 113.526 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 374' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -62.28 -31.42 7.6 Favored Pre-proline 0 C--O 1.243 0.746 0 N-CA-C 115.254 1.576 . . . . 26.66 115.254 -173.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 375' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -62.96 -12.08 27.78 Favored 'Trans proline' 0 C--O 1.238 0.5 0 CA-C-N 122.467 1.917 . . . . 23.7 113.964 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -110.67 7.94 22.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 118.647 0.658 . . . . 22.63 112.409 -176.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 377' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -63.2 -49.19 75.2 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.793 0.33 . . . . 26.22 111.439 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -123.9 162.6 40.19 Favored Pre-proline 0 C--O 1.237 0.439 0 C-N-CA 123.614 0.766 . . . . 42.09 111.058 -169.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.07 148.38 89.51 Favored 'Trans proline' 0 C--O 1.233 0.247 0 CA-C-O 121.738 0.641 . . . . 31.88 112.118 -178.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 93.6 t -72.15 105.33 2.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 108.059 -1.089 . . . . 31.32 108.059 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -76.77 97.68 4.58 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.05 -1.093 . . . . 41.38 108.05 178.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 29.7 m -66.33 -29.73 47.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 120.309 -0.556 . . . . 33.7 111.119 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 383' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -77.13 -43.45 34.0 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 121.804 -0.56 . . . . 56.32 111.54 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 384' ' ' ALA . . . . . . . . . . . . . . . -75.82 -31.72 59.5 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.033 -0.667 . . . . 32.8 111.816 -176.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.88 -8.08 56.32 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.351 0.871 . . . . 37.02 113.351 -177.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 386' ' ' GLY . . . . . . . . . . . . . . . 68.24 37.53 86.68 Favored Glycine 0 C--O 1.237 0.337 0 C-N-CA 120.798 -0.715 . . . . 41.24 114.271 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 65.5 mt -102.25 75.34 1.48 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.74 -1.207 . . . . 34.97 107.74 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 388' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -76.68 8.48 3.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.219 -0.9 . . . . 39.42 113.332 -171.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 389' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -123.76 5.37 8.8 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.386 0.539 . . . . 47.64 112.091 173.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -68.67 -46.88 67.93 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 117.953 0.342 . . . . 30.48 111.419 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 391' ' ' CYS . . . . . . . . . . . . . 86.6 m -66.96 -24.09 66.03 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.623 0.601 . . . . 41.73 112.623 -177.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -75.15 -30.56 60.8 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.461 -0.496 . . . . 55.93 111.777 174.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 393' ' ' ILE . . . . . . . . . . . . . 95.0 mt -91.47 -43.51 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.586 0.231 . . . . 34.95 111.381 -178.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 45.7 mm -101.68 110.04 27.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 107.935 -1.135 . . . . 34.97 107.935 -177.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -89.66 -21.47 22.75 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 113.144 0.794 . . . . 56.01 113.144 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -133.26 81.96 54.56 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 108.731 -0.84 . . . . 38.11 108.731 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 397' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.18 156.53 64.6 Favored 'Trans proline' 0 C--N 1.33 -0.415 0 CA-C-O 121.978 0.741 . . . . 33.42 111.275 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 398' ' ' MET . . . . . . . . . . . . . 37.5 tpp -158.42 145.87 17.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.983 -1.008 . . . . 28.89 108.945 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 399' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -145.16 170.08 16.94 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.571 -0.741 . . . . 27.27 109.008 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 400' ' ' MET . . . . . . . . . . . . . 75.8 mtp -67.15 -32.08 72.95 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.375 -0.829 . . . . 24.16 112.056 -178.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 73.4 m -71.46 -38.79 71.24 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.133 -0.627 . . . . 28.52 111.358 -179.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 71.4 m -65.22 -44.1 89.35 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.215 -0.594 . . . . 29.44 110.944 175.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 403' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.66 -40.27 74.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.929 0.395 . . . . 26.48 110.503 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -64.2 -41.97 96.84 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.453 -0.499 . . . . 45.58 111.29 179.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 405' ' ' SER . . . . . . . . . . . . . 87.2 p -67.28 -32.18 73.0 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.171 -0.612 . . . . 41.31 111.595 178.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 406' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -74.41 -29.56 61.57 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.461 -0.496 . . . . 32.42 111.638 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.77 -40.28 76.17 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.26 -0.576 . . . . 30.75 111.052 172.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.24 -35.39 79.46 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.5 -0.48 . . . . 59.97 111.229 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -83.04 1.47 39.9 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.883 0.697 . . . . 33.04 112.883 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 410' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 58.21 39.78 25.49 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.319 0.58 . . . . 48.91 111.312 179.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -78.6 -30.81 46.82 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.182 -0.463 . . . . 37.08 112.144 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -77.05 128.72 34.98 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.992 0.36 . . . . 31.76 110.035 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -75.62 -42.36 51.91 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.5 -0.48 . . . . 48.71 111.599 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -137.6 -179.24 5.63 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.163 -0.68 . . . . 56.27 109.163 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -71.2 -26.01 62.76 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.606 -0.725 . . . . 34.73 111.788 179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -69.4 -35.64 75.96 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.288 -0.565 . . . . 40.53 111.274 -178.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.89 -36.37 75.36 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.838 -0.745 . . . . 31.84 111.085 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 418' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -60.6 -47.41 86.32 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.827 0.346 . . . . 29.5 110.931 173.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -64.82 -28.86 73.94 Favored Glycine 0 C--N 1.335 0.494 0 C-N-CA 120.363 -0.922 . . . . 27.49 113.278 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.12 87.96 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.217 -0.593 . . . . 25.88 111.18 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 421' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.51 -37.37 79.99 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.232 -0.587 . . . . 34.7 111.235 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.19 -43.63 98.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.07 0.462 . . . . 25.15 110.361 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -73.51 -28.12 61.74 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.372 -0.531 . . . . 26.7 111.711 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.49 -40.91 98.2 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.28 -0.568 . . . . 23.62 110.882 172.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 425' ' ' MET . . . . . . . . . . . . . 54.0 ttp -59.06 -39.69 82.83 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 120.618 0.246 . . . . 24.38 111.292 177.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -74.7 -39.05 62.18 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.393 -0.523 . . . . 24.72 111.44 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 70.8 m -63.06 -37.05 85.66 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.498 -0.481 . . . . 32.69 111.35 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 428' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -60.29 -40.36 90.17 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.356 -0.538 . . . . 29.48 111.118 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.36 -43.07 78.24 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.37 -0.532 . . . . 24.33 111.359 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 430' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -65.18 -31.27 72.36 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.414 -0.514 . . . . 27.34 111.564 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -77.11 -43.86 32.62 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.841 -0.344 . . . . 55.29 111.861 -177.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -80.55 -37.86 30.64 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.3 0.482 . . . . 34.87 112.3 -173.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 433' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -93.49 155.8 40.41 Favored Pre-proline 0 C--O 1.235 0.338 0 C-N-CA 118.669 -1.212 . . . . 28.8 111.339 -172.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 434' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -65.37 154.38 73.88 Favored 'Trans proline' 0 C--O 1.244 0.783 0 N-CA-C 110.642 -0.561 . . . . 29.96 110.642 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.57 -35.17 82.89 Favored 'Trans proline' 0 C--O 1.238 0.478 0 N-CA-C 113.774 0.644 . . . . 29.49 113.774 -176.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 436' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -84.97 5.52 28.84 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 113.094 0.776 . . . . 48.32 113.094 -178.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 437' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -70.78 147.57 48.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.574 0.702 . . . . 33.87 110.642 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -63.48 -31.75 73.0 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.447 -0.797 . . . . 57.42 111.87 -177.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.77 -21.05 22.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.569 -0.452 . . . . 29.89 111.544 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.26 -40.38 65.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.4 -0.52 . . . . 28.19 110.382 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.57 91.4 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.28 -0.568 . . . . 25.87 111.094 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 76.7 mtp -65.95 -30.43 71.0 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.57 -0.452 . . . . 24.56 111.538 176.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 443' ' ' ALA . . . . . . . . . . . . . . . -72.68 -39.51 67.0 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.445 -0.502 . . . . 23.46 111.304 178.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -63.6 -36.25 83.18 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.053 -0.659 . . . . 50.2 111.038 176.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -61.6 -52.84 62.72 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.593 -0.443 . . . . 33.49 111.138 177.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 29.0 tp -66.6 -35.18 79.58 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.226 -0.59 . . . . 27.56 111.295 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -66.62 -37.69 85.38 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.935 -0.706 . . . . 29.52 111.141 178.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -62.04 -37.84 86.47 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.217 -0.593 . . . . 51.62 110.971 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.65 -41.87 93.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 120.451 -0.5 . . . . 27.75 110.316 175.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.79 -51.79 51.57 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.906 -0.496 . . . . 26.4 111.389 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -58.82 -37.94 77.55 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.677 -0.409 . . . . 27.05 111.517 -174.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 80.1 mmm -65.73 -50.09 66.06 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.341 -0.544 . . . . 45.86 111.199 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 453' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.72 -34.79 72.28 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.969 -0.693 . . . . 55.02 111.461 -179.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 454' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -66.16 -36.68 83.76 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.13 -0.628 . . . . 34.18 111.065 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -74.68 -39.81 61.76 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 122.182 -0.324 . . . . 34.28 111.565 177.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -74.3 10.31 1.33 Allowed 'General case' 0 C--O 1.238 0.484 0 CA-C-O 118.174 -0.917 . . . . 38.68 113.232 177.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 457' ' ' MET . . . . . . . . . . . . . 49.3 ttm -65.96 136.39 95.59 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 119.142 0.883 . . . . 51.71 110.246 -177.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.32 135.82 70.51 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 120.145 0.563 . . . . 63.34 111.284 176.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.557 -0.747 . . . . 80.42 111.328 -174.566 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 44.71 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -90.13 -23.74 21.28 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.151 0.426 . . . . 37.19 112.151 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -82.7 169.05 16.64 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.976 0.893 . . . . 35.59 110.61 -174.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -58.69 -39.62 81.24 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.257 -0.883 . . . . 28.08 110.709 173.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.17 -37.15 84.92 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.63 -0.428 . . . . 33.51 111.623 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' CYS . . . . . . . . . . . . . 33.7 t -66.55 -45.69 78.54 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.015 -0.674 . . . . 33.13 111.178 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -64.53 -37.77 88.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.203 0.525 . . . . 48.77 110.472 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -62.12 -47.91 82.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.193 -1.367 . . . . 45.06 111.373 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.19 -27.54 64.59 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.249 -0.58 . . . . 39.45 111.851 -178.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 46.0 tp -71.78 -44.44 63.99 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.194 -0.602 . . . . 37.17 111.382 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mm -73.34 -54.57 15.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.031 0.443 . . . . 39.52 110.53 -176.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.43 -24.38 53.98 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.925 -0.484 . . . . 40.45 111.621 -177.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.429 4.064 2 O-C-N 109.57 -8.206 . . . . 31.9 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.761 0.315 . . . . 49.12 111.006 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -69.75 -31.44 69.4 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.887 -0.725 . . . . 60.32 111.348 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -76.08 -27.61 57.25 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.413 -0.515 . . . . 52.44 111.862 174.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' LEU . . . . . . . . . . . . . 34.0 mt -67.36 -33.23 74.8 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.123 -0.631 . . . . 43.77 111.363 173.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 355' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.03 -33.86 76.77 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.281 -0.568 . . . . 57.27 111.298 173.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 356' ' ' CYS . . . . . . . . . . . . . 85.4 m -67.35 -36.49 81.5 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.377 -0.529 . . . . 39.39 111.041 174.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 357' ' ' CYS . . . . . . . . . . . . . 73.2 m -62.28 -35.77 80.03 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.54 -0.464 . . . . 29.51 111.187 176.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 47.5 t -68.9 -34.07 74.81 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.184 -0.606 . . . . 30.3 111.446 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 359' ' ' GLY . . . . . . . . . . . . . . . -72.17 -35.21 60.81 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 119.996 -1.097 . . . . 29.47 112.464 176.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 360' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.03 -47.12 91.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 122.267 -0.549 . . . . 30.39 110.174 176.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.9 -29.72 70.68 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.313 -0.555 . . . . 25.45 111.475 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.76 -41.28 88.03 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.439 -0.504 . . . . 38.24 111.22 177.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 363' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -70.54 -34.16 71.97 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.873 -0.731 . . . . 46.41 111.494 175.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 364' ' ' MET . . . . . . . . . . . . . 92.9 mtp -60.9 -27.19 67.99 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.278 -0.569 . . . . 26.82 111.369 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 365' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -87.42 -12.39 46.31 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.208 0.818 . . . . 27.56 113.208 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 366' ' ' ALA . . . . . . . . . . . . . . . -65.57 156.99 30.96 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 122.005 0.907 . . . . 21.45 111.191 -173.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 367' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -65.42 -18.29 65.2 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.097 -0.956 . . . . 59.89 112.417 -178.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -64.3 -29.59 70.67 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.322 -0.551 . . . . 47.04 111.755 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 369' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -109.6 5.42 23.04 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.0 0.741 . . . . 29.84 113.0 -177.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -62.6 -28.78 70.13 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.415 0.524 . . . . 26.55 112.415 -169.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 371' ' ' ALA . . . . . . . . . . . . . . . -66.07 -23.49 66.54 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.781 0.66 . . . . 28.98 112.781 -175.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 372' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -122.18 -8.28 8.75 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.991 1.108 . . . . 28.89 113.991 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -95.91 -15.49 22.37 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.526 0.935 . . . . 27.39 113.526 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 374' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -62.28 -31.42 7.6 Favored Pre-proline 0 C--O 1.243 0.746 0 N-CA-C 115.254 1.576 . . . . 26.66 115.254 -173.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 375' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -62.96 -12.08 27.78 Favored 'Trans proline' 0 C--O 1.238 0.5 0 CA-C-N 122.467 1.917 . . . . 23.7 113.964 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 376' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -110.67 7.94 22.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 118.647 0.658 . . . . 22.63 112.409 -176.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 377' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -63.2 -49.19 75.2 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.793 0.33 . . . . 26.22 111.439 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 378' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -123.9 162.6 40.19 Favored Pre-proline 0 C--O 1.237 0.439 0 C-N-CA 123.614 0.766 . . . . 42.09 111.058 -169.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 379' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.07 148.38 89.51 Favored 'Trans proline' 0 C--O 1.233 0.247 0 CA-C-O 121.738 0.641 . . . . 31.88 112.118 -178.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 93.6 t -72.15 105.33 2.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 108.059 -1.089 . . . . 31.32 108.059 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 381' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -76.77 97.68 4.58 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.05 -1.093 . . . . 41.38 108.05 178.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 382' ' ' VAL . . . . . . . . . . . . . 29.7 m -66.33 -29.73 47.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 120.309 -0.556 . . . . 33.7 111.119 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 383' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -77.13 -43.45 34.0 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 121.804 -0.56 . . . . 56.32 111.54 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 384' ' ' ALA . . . . . . . . . . . . . . . -75.82 -31.72 59.5 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.033 -0.667 . . . . 32.8 111.816 -176.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.88 -8.08 56.32 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 113.351 0.871 . . . . 37.02 113.351 -177.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 386' ' ' GLY . . . . . . . . . . . . . . . 68.24 37.53 86.68 Favored Glycine 0 C--O 1.237 0.337 0 C-N-CA 120.798 -0.715 . . . . 41.24 114.271 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 65.5 mt -102.25 75.34 1.48 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.74 -1.207 . . . . 34.97 107.74 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 388' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -76.68 8.48 3.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.219 -0.9 . . . . 39.42 113.332 -171.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 389' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -123.76 5.37 8.8 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.386 0.539 . . . . 47.64 112.091 173.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -68.67 -46.88 67.93 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 117.953 0.342 . . . . 30.48 111.419 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 391' ' ' CYS . . . . . . . . . . . . . 86.6 m -66.96 -24.09 66.03 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.623 0.601 . . . . 41.73 112.623 -177.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -75.15 -30.56 60.8 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.461 -0.496 . . . . 55.93 111.777 174.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 393' ' ' ILE . . . . . . . . . . . . . 95.0 mt -91.47 -43.51 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.586 0.231 . . . . 34.95 111.381 -178.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 45.7 mm -101.68 110.04 27.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 107.935 -1.135 . . . . 34.97 107.935 -177.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -89.66 -21.47 22.75 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 113.144 0.794 . . . . 56.01 113.144 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -133.26 81.96 54.56 Favored Pre-proline 0 C--O 1.24 0.557 0 N-CA-C 108.731 -0.84 . . . . 38.11 108.731 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 397' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.18 156.53 64.6 Favored 'Trans proline' 0 C--N 1.33 -0.415 0 CA-C-O 121.978 0.741 . . . . 33.42 111.275 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 398' ' ' MET . . . . . . . . . . . . . 37.5 tpp -158.42 145.87 17.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.983 -1.008 . . . . 28.89 108.945 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 399' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -145.16 170.08 16.94 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.571 -0.741 . . . . 27.27 109.008 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 400' ' ' MET . . . . . . . . . . . . . 75.8 mtp -67.15 -32.08 72.95 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.375 -0.829 . . . . 24.16 112.056 -178.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 73.4 m -71.46 -38.79 71.24 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.133 -0.627 . . . . 28.52 111.358 -179.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 71.4 m -65.22 -44.1 89.35 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.215 -0.594 . . . . 29.44 110.944 175.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.66 -40.27 74.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.929 0.395 . . . . 26.48 110.503 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -64.2 -41.97 96.84 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.453 -0.499 . . . . 45.58 111.29 179.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' SER . . . . . . . . . . . . . 87.2 p -67.28 -32.18 73.0 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.171 -0.612 . . . . 41.31 111.595 178.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -74.41 -29.56 61.57 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.461 -0.496 . . . . 32.42 111.638 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.77 -40.28 76.17 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.26 -0.576 . . . . 30.75 111.052 172.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.24 -35.39 79.46 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.5 -0.48 . . . . 59.97 111.229 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -83.04 1.47 39.9 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.883 0.697 . . . . 33.04 112.883 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 58.21 39.78 25.49 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.319 0.58 . . . . 48.91 111.312 179.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -78.6 -30.81 46.82 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.182 -0.463 . . . . 37.08 112.144 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -77.05 128.72 34.98 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.992 0.36 . . . . 31.76 110.035 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -75.62 -42.36 51.91 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.5 -0.48 . . . . 48.71 111.599 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -137.6 -179.24 5.63 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.163 -0.68 . . . . 56.27 109.163 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -71.2 -26.01 62.76 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.606 -0.725 . . . . 34.73 111.788 179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -69.4 -35.64 75.96 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.288 -0.565 . . . . 40.53 111.274 -178.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.89 -36.37 75.36 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.838 -0.745 . . . . 31.84 111.085 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -60.6 -47.41 86.32 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.827 0.346 . . . . 29.5 110.931 173.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -64.82 -28.86 73.94 Favored Glycine 0 C--N 1.335 0.494 0 C-N-CA 120.363 -0.922 . . . . 27.49 113.278 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.12 87.96 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.217 -0.593 . . . . 25.88 111.18 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 421' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.51 -37.37 79.99 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.232 -0.587 . . . . 34.7 111.235 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.19 -43.63 98.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.07 0.462 . . . . 25.15 110.361 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -73.51 -28.12 61.74 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.372 -0.531 . . . . 26.7 111.711 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.49 -40.91 98.2 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.28 -0.568 . . . . 23.62 110.882 172.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 425' ' ' MET . . . . . . . . . . . . . 54.0 ttp -59.06 -39.69 82.83 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 120.618 0.246 . . . . 24.38 111.292 177.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -74.7 -39.05 62.18 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.393 -0.523 . . . . 24.72 111.44 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 70.8 m -63.06 -37.05 85.66 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.498 -0.481 . . . . 32.69 111.35 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 428' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -60.29 -40.36 90.17 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.356 -0.538 . . . . 29.48 111.118 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.36 -43.07 78.24 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.37 -0.532 . . . . 24.33 111.359 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 430' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -65.18 -31.27 72.36 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.414 -0.514 . . . . 27.34 111.564 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -77.11 -43.86 32.62 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.841 -0.344 . . . . 55.29 111.861 -177.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -80.55 -37.86 30.64 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.3 0.482 . . . . 34.87 112.3 -173.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 433' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -93.49 155.8 40.41 Favored Pre-proline 0 C--O 1.235 0.338 0 C-N-CA 118.669 -1.212 . . . . 28.8 111.339 -172.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 434' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -65.37 154.38 73.88 Favored 'Trans proline' 0 C--O 1.244 0.783 0 N-CA-C 110.642 -0.561 . . . . 29.96 110.642 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.57 -35.17 82.89 Favored 'Trans proline' 0 C--O 1.238 0.478 0 N-CA-C 113.774 0.644 . . . . 29.49 113.774 -176.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 436' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -84.97 5.52 28.84 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 113.094 0.776 . . . . 48.32 113.094 -178.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 437' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -70.78 147.57 48.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.574 0.702 . . . . 33.87 110.642 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -63.48 -31.75 73.0 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.447 -0.797 . . . . 57.42 111.87 -177.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.77 -21.05 22.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.569 -0.452 . . . . 29.89 111.544 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.26 -40.38 65.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.4 -0.52 . . . . 28.19 110.382 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.57 91.4 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.28 -0.568 . . . . 25.87 111.094 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 76.7 mtp -65.95 -30.43 71.0 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.57 -0.452 . . . . 24.56 111.538 176.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 443' ' ' ALA . . . . . . . . . . . . . . . -72.68 -39.51 67.0 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.445 -0.502 . . . . 23.46 111.304 178.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -63.6 -36.25 83.18 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.053 -0.659 . . . . 50.2 111.038 176.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -61.6 -52.84 62.72 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.593 -0.443 . . . . 33.49 111.138 177.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 29.0 tp -66.6 -35.18 79.58 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.226 -0.59 . . . . 27.56 111.295 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -66.62 -37.69 85.38 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.935 -0.706 . . . . 29.52 111.141 178.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -62.04 -37.84 86.47 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.217 -0.593 . . . . 51.62 110.971 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.65 -41.87 93.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 120.451 -0.5 . . . . 27.75 110.316 175.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.79 -51.79 51.57 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.906 -0.496 . . . . 26.4 111.389 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -58.82 -37.94 77.55 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.677 -0.409 . . . . 27.05 111.517 -174.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 80.1 mmm -65.73 -50.09 66.06 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.341 -0.544 . . . . 45.86 111.199 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 453' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.72 -34.79 72.28 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.969 -0.693 . . . . 55.02 111.461 -179.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 454' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -66.16 -36.68 83.76 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.13 -0.628 . . . . 34.18 111.065 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -74.68 -39.81 61.76 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 122.182 -0.324 . . . . 34.28 111.565 177.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -74.3 10.31 1.33 Allowed 'General case' 0 C--O 1.238 0.484 0 CA-C-O 118.174 -0.917 . . . . 38.68 113.232 177.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 457' ' ' MET . . . . . . . . . . . . . 49.3 ttm -65.96 136.39 95.59 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 119.142 0.883 . . . . 51.71 110.246 -177.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.32 135.82 70.51 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 120.145 0.563 . . . . 63.34 111.284 176.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.557 -0.747 . . . . 80.42 111.328 -174.566 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 44.71 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -90.13 -23.74 21.28 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.151 0.426 . . . . 37.19 112.151 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -82.7 169.05 16.64 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 121.976 0.893 . . . . 35.59 110.61 -174.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -58.69 -39.62 81.24 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.257 -0.883 . . . . 28.08 110.709 173.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.17 -37.15 84.92 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.63 -0.428 . . . . 33.51 111.623 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' CYS . . . . . . . . . . . . . 33.7 t -66.55 -45.69 78.54 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.015 -0.674 . . . . 33.13 111.178 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -64.53 -37.77 88.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.203 0.525 . . . . 48.77 110.472 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -62.12 -47.91 82.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.193 -1.367 . . . . 45.06 111.373 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.19 -27.54 64.59 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.249 -0.58 . . . . 39.45 111.851 -178.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 46.0 tp -71.78 -44.44 63.99 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.194 -0.602 . . . . 37.17 111.382 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mm -73.34 -54.57 15.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.031 0.443 . . . . 39.52 110.53 -176.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.43 -24.38 53.98 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.925 -0.484 . . . . 40.45 111.621 -177.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.429 4.064 2 O-C-N 109.57 -8.206 . . . . 31.9 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_