data_7bqv_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 7bqv _Structure_validation_residue.Date_analyzed 2020-08-21 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 ' 318' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.409 0.623 . . . . 91.430000000000007 111.244 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' THR . . . . . 0.601 ' O ' ' O ' ' A' ' 601' ' ' HOH . 5.0 t -71.29 -21.57 62.06 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.287 -0.87 . . . . 86.420000000000002 112.343 173.239 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' SER . . . . . . . . . . . . . 16.7 m -105.66 165.1 11.4 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 122.304 1.049 . . . . 58.530000000000001 112.734 -157.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 71.4 mt -99.98 132.84 45.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.113 -1.403 . . . . 32.619999999999997 107.748 165.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' CYS . . . . . . . . . . . . . 56.6 m -118.07 160.28 21.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.797 0.808 . . . . 36.899999999999999 111.964 -172.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' CYS . . . . . . . . . . . . . 12.2 t -58.9 123.27 15.96 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.623 -1.171 . . . . 31.07 109.673 168.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -64.26 -38.98 92.97 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.893 -0.723 . . . . 51.259999999999998 111.529 -177.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -63.51 -47.75 80.42 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.119 0.485 . . . . 58.899999999999999 111.056 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' CYS . . . . . . . . . . . . . 9.6 m -68.74 -27.5 65.97 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.525 -0.307 . . . . 38.979999999999997 111.761 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 69.93 -35.65 0.32 Allowed 'General case' 0 C--O 1.236 0.391 0 C-N-CA 126.494 1.917 . . . . 61.890000000000001 112.299 -171.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.0 -1.94 6.5 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 115.351 1.612 . . . . 62.609999999999999 115.351 -171.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 98.8 m -74.76 118.64 17.94 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.422 1.01 . . . . 34.509999999999998 109.601 173.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -82.19 129.56 34.87 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 110.025 -0.361 . . . . 51.649999999999999 110.025 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' ILE . . . . . . . . . . . . . 49.9 mm -105.83 -42.11 6.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.391 -0.368 . . . . 33.359999999999999 111.897 -176.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 8.1 t -156.71 176.31 12.9 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.297 -1.001 . . . . 33.159999999999997 108.297 179.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' THR . . . . . . . . . . . . . 68.3 p -119.22 157.68 27.52 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.691 0.758 . . . . 41.109999999999999 109.195 175.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.81 -26.64 68.83 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.949 -1.023 . . . . 50.280000000000001 111.118 -175.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.42 -17.5 64.59 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.528 0.566 . . . . 61.420000000000002 112.528 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -87.45 -9.61 54.16 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 113.457 0.91 . . . . 40.719999999999999 113.457 -179.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 83.4 mt -70.74 137.03 24.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 118.673 0.67 . . . . 30.879999999999999 110.063 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -149.08 164.59 34.21 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.989 -0.745 . . . . 32.909999999999997 108.989 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 58.8 m -100.84 113.19 25.91 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.275 -1.009 . . . . 46.880000000000003 108.275 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.27 -62.36 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 62.009999999999998 110.242 170.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' SER . . . . . . . . . . . . . 10.5 t -66.94 140.53 57.75 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.215 0.531 . . . . 81.709999999999994 109.961 172.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.89 -13.43 59.65 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.804 -0.635 . . . . 84.769999999999996 111.902 176.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' CYS . . . . . . . . . . . . . 65.7 m -70.11 -15.64 63.0 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.182 0.438 . . . . 96.849999999999994 112.182 170.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 122.77 -175.57 16.5 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-O 122.104 0.836 . . . . 67.670000000000002 114.333 173.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -75.04 -22.72 14.45 Favored 'Trans proline' 0 CA--C 1.512 -0.624 0 CA-C-O 118.681 -0.633 . . . . 36.18 113.649 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' MET . . . . . . . . . . . . . 60.0 ttp -139.5 98.01 3.4 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 107.944 -1.132 . . . . 42.369999999999997 107.944 174.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -113.12 163.66 14.47 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.917 -0.772 . . . . 31.309999999999999 108.917 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -89.42 131.35 35.52 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.963 -0.562 . . . . 30.23 109.615 178.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -125.91 144.87 50.5 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.92 -0.77 . . . . 34.509999999999998 108.92 178.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 350' ' ' VAL . . . . . . . . . . . . . 12.1 t -107.53 128.53 62.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.374 -0.973 . . . . 36.520000000000003 108.374 -179.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -86.8 172.57 8.02 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.111 0.482 . . . . 28.98 109.965 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -68.94 -5.5 15.83 Favored 'Trans proline' 0 C--O 1.241 0.646 0 N-CA-C 114.088 0.764 . . . . 38.090000000000003 114.088 -170.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -108.61 11.75 26.4 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 112.472 0.545 . . . . 45.350000000000001 112.472 174.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' GLY . . . . . . . . . . . . . . . 89.96 -3.11 82.61 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-O 118.787 -1.007 . . . . 33.18 115.411 174.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 355' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -73.77 133.77 43.32 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.851 1.326 . . . . 37.859999999999999 109.834 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 356' ' ' VAL . . . . . . . . . . . . . 89.6 t -97.55 127.03 50.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 N-CA-C 108.286 -1.005 . . . . 30.73 108.286 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 357' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -120.43 111.37 17.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.173 -1.417 . . . . 26.149999999999999 107.173 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.21 105.94 4.85 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.763 -1.199 . . . . 53.520000000000003 107.763 166.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 59.7 m -109.63 113.44 26.21 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.362 -0.607 . . . . 26.829999999999998 109.362 -164.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 14.3 tp -86.52 124.3 32.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.44 1.096 . . . . 25.350000000000001 108.995 179.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 361' ' ' THR . . . . . . . . . . . . . 32.8 p -96.12 125.34 40.58 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.502 -0.479 . . . . 25.989999999999998 109.97 -177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 23.2 m -129.71 148.03 33.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 C-N-CA 123.475 0.71 . . . . 27.010000000000002 109.916 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 363' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -68.59 -40.28 80.54 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.676 -0.693 . . . . 40.009999999999998 111.804 -178.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -138.05 150.71 47.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.354 -0.609 . . . . 51.880000000000003 109.354 -173.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 365' ' ' ALA . . . . . . . . . . . . . . . -143.39 157.74 44.21 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.789 -0.819 . . . . 35.799999999999997 108.789 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 366' ' ' SER . . . . . . . . . . . . . 32.6 p -126.12 160.31 30.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.375 -0.829 . . . . 40.020000000000003 109.421 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 64.34 29.23 13.69 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.905 -1.043 . . . . 34.289999999999999 112.554 168.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 90.6 mt -112.54 142.98 44.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.948 -0.39 . . . . 34.57 109.948 178.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 369' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -104.71 137.91 41.81 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.499 -0.926 . . . . 42.579999999999998 108.499 170.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 370' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.07 137.16 32.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.703 -0.851 . . . . 38.649999999999999 108.703 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 371' ' ' ILE . . . . . . . . . . . . . 43.0 mm -111.14 119.62 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.038 -1.097 . . . . 44.350000000000001 108.038 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 76.95 -174.23 54.49 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 119.307 -1.425 . . . . 40.810000000000002 113.985 171.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 373' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.73 144.33 37.04 Favored Pre-proline 0 C--N 1.319 -0.729 0 C-N-CA 131.475 3.91 . . . . 61.520000000000003 110.225 -176.718 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.4 150.96 86.48 Favored 'Trans proline' 0 CA--C 1.518 -0.289 0 N-CA-C 110.842 -0.484 . . . . 41.670000000000002 110.842 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 375' ' ' SER . . . . . . . . . . . . . 29.6 t -138.47 141.07 39.46 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.746 -0.661 . . . . 36.200000000000003 109.569 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 71.4 p -95.22 -6.43 41.58 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 113.132 0.79 . . . . 42.100000000000001 113.132 174.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 377' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -63.18 129.25 39.5 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 118.431 0.559 . . . . 63.829999999999998 110.077 -178.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 378' ' ' HIS . . . . . . . . . . . . . 15.1 m80 65.41 17.41 10.96 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.362 0.875 . . . . 43.219999999999999 113.362 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 27.4 t -64.15 127.82 33.09 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.598 -0.689 . . . . 32.18 111.127 -174.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 380' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -69.39 -13.79 62.56 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.833 -0.621 . . . . 33.450000000000003 112.673 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 381' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -125.65 96.07 39.02 Favored Pre-proline 0 C--O 1.246 0.9 0 N-CA-C 108.416 -0.957 . . . . 33.689999999999998 108.416 -175.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.79 137.86 83.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 120.372 0.715 . . . . 45.649999999999999 111.691 -172.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.1 -8.56 79.46 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 118.988 -0.896 . . . . 40.149999999999999 114.923 -173.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -113.71 143.64 44.28 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 118.523 1.162 . . . . 36.700000000000003 110.509 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -97.48 157.59 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.886 -0.783 . . . . 30.52 108.886 168.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 386' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -121.34 146.87 46.41 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.409 0.623 . . . . 30.949999999999999 111.222 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 387' ' ' THR . . . . . . . . . . . . . 47.4 m -131.19 128.33 39.76 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.11 -1.07 . . . . 28.039999999999999 108.11 174.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 388' ' ' VAL . . . . . . . . . . . . . 17.5 t -58.74 138.56 19.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.333 0.587 . . . . 35.369999999999997 109.958 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -125.93 132.64 52.07 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.358 -0.608 . . . . 25.77 109.358 -179.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.39 154.36 47.77 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.646 0.736 . . . . 43.539999999999999 109.881 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 391' ' ' CYS . . . . . . . . . . . . . 40.9 t -61.38 128.03 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.205 -0.907 . . . . 32.020000000000003 110.56 176.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -75.94 -10.23 59.26 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 118.766 -1.174 . . . . 45.119999999999997 113.083 -176.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 393' ' ' ILE . . . . . . . . . . . . . 45.8 mm -93.29 -37.19 8.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 118.691 0.678 . . . . 40.630000000000003 111.868 179.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 394' ' ' CYS . . . . . . . . . . . . . 17.9 p -123.02 -5.2 8.47 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 114.542 1.312 . . . . 33.380000000000003 114.542 -176.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 395' ' ' ALA . . . . . . . . . . . . . . . 67.38 14.99 9.83 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 124.844 1.257 . . . . 32.469999999999999 113.655 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 50.7 m -72.55 144.32 47.98 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 121.238 -0.914 . . . . 35.909999999999997 110.117 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -64.55 127.14 30.25 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.14 -0.624 . . . . 26.170000000000002 110.283 174.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 44.9 mm -108.08 -38.36 3.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 111.837 0.31 . . . . 28.190000000000001 111.837 178.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 168.95 -135.72 3.73 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.47 -0.395 . . . . 23.600000000000001 112.211 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 400' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -147.3 148.43 31.4 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.197 -0.668 . . . . 26.489999999999998 109.197 -178.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -91.88 133.65 35.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.592 -0.892 . . . . 37.280000000000001 108.592 167.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -110.05 129.18 55.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.521 -0.918 . . . . 29.199999999999999 108.521 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 35.5 p -126.1 133.29 51.69 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.816 -0.809 . . . . 36.219999999999999 108.816 -176.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -66.58 142.59 57.44 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.345 0.593 . . . . 38.200000000000003 110.868 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 42.8 p -92.69 -5.56 51.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.665 -0.698 . . . . 50.659999999999997 112.743 175.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.24 142.36 47.32 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.486 -0.561 . . . . 62.700000000000003 109.486 179.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -69.89 -18.69 63.42 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 113.326 0.861 . . . . 77.890000000000001 113.326 -170.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -88.83 -1.96 58.35 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 113.416 0.895 . . . . 84.810000000000002 113.416 -176.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 76.0 mtp -80.53 148.76 30.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.654 0.661 . . . . 56.909999999999997 111.128 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 2.1 p -135.86 123.42 14.86 Favored Pre-proline 0 C--O 1.249 1.056 0 N-CA-C 107.893 -1.151 . . . . 56.560000000000002 107.893 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -80.06 157.92 87.65 Favored 'Cis proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.221 -1.575 . . . . 41.090000000000003 112.502 -0.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -67.49 -24.69 65.62 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.444 -0.502 . . . . 48.770000000000003 112.352 178.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' LYS . . . . . 0.647 ' NZ ' ' O ' ' A' ' 602' ' ' HOH . 0.0 OUTLIER -152.86 157.71 41.11 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.157 -0.683 . . . . 57.109999999999999 109.157 175.519 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -160.83 178.74 9.12 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 107.943 -1.132 . . . . 28.27 107.943 171.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -122.61 138.58 54.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 34.509999999999998 109.531 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -108.57 114.57 4.13 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.457 -1.057 . . . . 24.789999999999999 110.457 169.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 20.0 mt -105.17 127.71 53.05 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.883 -0.784 . . . . 28.719999999999999 108.883 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' THR . . . . . . . . . . . . . 6.6 t -81.0 134.64 35.72 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.718 -0.793 . . . . 27.649999999999999 109.692 -176.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -59.13 -39.13 81.39 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.079 -0.964 . . . . 60.049999999999997 112.276 -165.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 78.6 p -73.01 -11.31 60.52 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.915 0.709 . . . . 34.270000000000003 112.915 -175.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 421' ' ' ALA . . . . . . . . . . . . . . . -87.81 -3.2 58.96 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.078 0.769 . . . . 28.710000000000001 113.078 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 94.6 mt -117.02 152.21 35.13 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.601 0.715 . . . . 34.969999999999999 112.483 -169.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 15.5 mt -126.56 140.61 37.83 Favored Pre-proline 0 C--O 1.238 0.486 0 C-N-CA 125.136 1.374 . . . . 44.340000000000003 109.034 168.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -70.94 167.63 73.92 Favored 'Cis proline' 0 C--N 1.343 0.241 0 CA-C-N 118.557 0.52 . . . . 48.810000000000002 112.974 0.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 3.8 m -73.08 119.05 16.78 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 53.329999999999998 109.625 -177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.439 0.638 . . . . 43.899999999999999 109.895 179.889 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 120.79 0.329 . . . . 68.019999999999996 111.443 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 410' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -106.3 133.41 51.04 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.344 -0.984 . . . . 50.149999999999999 108.344 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.75 132.82 69.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 109.485 -0.561 . . . . 39.0 109.485 -170.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 412' ' ' CYS . . . . . . . . . . . . . 41.4 t -67.1 122.19 17.24 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.901 -0.59 . . . . 29.260000000000002 109.74 173.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 413' ' ' SER . . . . . . . . . . . . . 27.7 p -67.97 -15.76 63.75 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.036 -0.666 . . . . 43.57 112.441 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 414' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.51 -42.21 15.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 CA-C-N 118.621 0.646 . . . . 33.520000000000003 111.865 -176.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 415' ' ' CYS . . . . . . . . . . . . . 21.3 p -128.04 -9.9 5.39 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 114.958 1.466 . . . . 27.75 114.958 -170.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 416' ' ' GLY . . . . . . . . . . . . . . . 90.39 -5.13 82.78 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 119.596 1.089 . . . . 27.239999999999998 115.637 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 417' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -52.35 130.25 30.61 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 118.497 1.149 . . . . 32.490000000000002 111.311 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 418' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -101.98 144.53 30.48 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.892 0.377 . . . . 44.710000000000001 110.758 -175.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 419' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -134.76 145.84 48.8 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.795 -0.639 . . . . 41.630000000000003 109.818 -176.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 420' ' ' THR . . . . . . . . . . . . . 6.1 m -80.87 -33.01 34.73 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.519 -0.764 . . . . 52.710000000000001 111.653 172.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 67.1 p -110.76 139.31 46.17 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 121.884 -0.51 . . . . 47.07 110.043 -176.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -66.11 -29.12 69.38 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.83 -0.748 . . . . 71.670000000000002 111.599 178.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -67.95 -38.0 88.41 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.19 -1.005 . . . . 44.43 113.184 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -67.41 -40.44 85.58 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.195 -1.002 . . . . 40.259999999999998 110.82 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 425' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.36 -44.06 75.65 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.835 -0.346 . . . . 39.920000000000002 110.989 176.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 426' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -63.5 -47.54 81.32 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 121.088 -0.245 . . . . 70.790000000000006 111.645 -177.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 427' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.35 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 119.712 -0.795 . . . . 44.479999999999997 110.382 177.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 428' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -58.92 -49.53 77.46 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.838 -0.539 . . . . 32.57 111.246 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 429' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.59 -43.96 89.66 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.401 -0.52 . . . . 43.530000000000001 111.503 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 430' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -75.62 -3.74 36.15 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.631 -0.827 . . . . 61.219999999999999 112.78 -176.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 -80.73 -14.72 57.86 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.636 0.606 . . . . 52.670000000000002 112.636 170.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 432' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 118.249 0.477 . . . . 52.079999999999998 110.687 179.426 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' F4U . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 502' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' HOH . . . . . 0.601 ' O ' ' O ' ' A' ' 319' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . 0.647 ' O ' ' NZ ' ' A' ' 413' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 633' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.409 0.623 . . . . 91.43 111.244 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' THR . . . . . 0.601 ' O ' ' O ' ' A' ' 601' ' ' HOH . 5.0 t -71.29 -21.57 62.06 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.287 -0.87 . . . . 86.42 112.343 173.239 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 320' ' ' SER . . . . . . . . . . . . . 16.7 m -105.66 165.1 11.4 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 122.304 1.049 . . . . 58.53 112.734 -157.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 71.4 mt -99.98 132.84 45.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.113 -1.403 . . . . 32.62 107.748 165.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 322' ' ' CYS . . . . . . . . . . . . . 56.6 m -118.07 160.28 21.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.797 0.808 . . . . 36.9 111.964 -172.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 323' ' ' CYS . . . . . . . . . . . . . 12.2 t -58.9 123.27 15.96 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.623 -1.171 . . . . 31.07 109.673 168.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 324' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -64.26 -38.98 92.97 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.893 -0.723 . . . . 51.26 111.529 -177.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -63.51 -47.75 80.42 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.119 0.485 . . . . 58.9 111.056 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 326' ' ' CYS . . . . . . . . . . . . . 9.6 m -68.74 -27.5 65.97 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.525 -0.307 . . . . 38.98 111.761 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 69.93 -35.65 0.32 Allowed 'General case' 0 C--O 1.236 0.391 0 C-N-CA 126.494 1.917 . . . . 61.89 112.299 -171.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.0 -1.94 6.5 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 115.351 1.612 . . . . 62.61 115.351 -171.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 98.8 m -74.76 118.64 17.94 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.422 1.01 . . . . 34.51 109.601 173.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 330' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -82.19 129.56 34.87 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 110.025 -0.361 . . . . 51.65 110.025 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 331' ' ' ILE . . . . . . . . . . . . . 49.9 mm -105.83 -42.11 6.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.391 -0.368 . . . . 33.36 111.897 -176.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 8.1 t -156.71 176.31 12.9 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.297 -1.001 . . . . 33.16 108.297 179.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 333' ' ' THR . . . . . . . . . . . . . 68.3 p -119.22 157.68 27.52 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.691 0.758 . . . . 41.11 109.195 175.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.81 -26.64 68.83 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.949 -1.023 . . . . 50.28 111.118 -175.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 335' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.42 -17.5 64.59 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.528 0.566 . . . . 61.42 112.528 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -87.45 -9.61 54.16 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 113.457 0.91 . . . . 40.72 113.457 -179.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 83.4 mt -70.74 137.03 24.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 118.673 0.67 . . . . 30.88 110.063 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -149.08 164.59 34.21 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.989 -0.745 . . . . 32.91 108.989 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 58.8 m -100.84 113.19 25.91 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.275 -1.009 . . . . 46.88 108.275 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.27 -62.36 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 62.01 110.242 170.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 341' ' ' SER . . . . . . . . . . . . . 10.5 t -66.94 140.53 57.75 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.215 0.531 . . . . 81.71 109.961 172.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.89 -13.43 59.65 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.804 -0.635 . . . . 84.77 111.902 176.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 343' ' ' CYS . . . . . . . . . . . . . 65.7 m -70.11 -15.64 63.0 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.182 0.438 . . . . 96.85 112.182 170.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 122.77 -175.57 16.5 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-O 122.104 0.836 . . . . 67.67 114.333 173.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 345' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -75.04 -22.72 14.45 Favored 'Trans proline' 0 CA--C 1.512 -0.624 0 CA-C-O 118.681 -0.633 . . . . 36.18 113.649 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 346' ' ' MET . . . . . . . . . . . . . 60.0 ttp -139.5 98.01 3.4 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 107.944 -1.132 . . . . 42.37 107.944 174.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -113.12 163.66 14.47 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.917 -0.772 . . . . 31.31 108.917 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -89.42 131.35 35.52 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.963 -0.562 . . . . 30.23 109.615 178.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -125.91 144.87 50.5 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.92 -0.77 . . . . 34.51 108.92 178.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 350' ' ' VAL . . . . . . . . . . . . . 12.1 t -107.53 128.53 62.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.374 -0.973 . . . . 36.52 108.374 -179.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 351' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -86.8 172.57 8.02 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.111 0.482 . . . . 28.98 109.965 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 352' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -68.94 -5.5 15.83 Favored 'Trans proline' 0 C--O 1.241 0.646 0 N-CA-C 114.088 0.764 . . . . 38.09 114.088 -170.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 353' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -108.61 11.75 26.4 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 112.472 0.545 . . . . 45.35 112.472 174.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 354' ' ' GLY . . . . . . . . . . . . . . . 89.96 -3.11 82.61 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-O 118.787 -1.007 . . . . 33.18 115.411 174.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 355' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -73.77 133.77 43.32 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.851 1.326 . . . . 37.86 109.834 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 356' ' ' VAL . . . . . . . . . . . . . 89.6 t -97.55 127.03 50.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 N-CA-C 108.286 -1.005 . . . . 30.73 108.286 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 357' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -120.43 111.37 17.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.173 -1.417 . . . . 26.15 107.173 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.21 105.94 4.85 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.763 -1.199 . . . . 53.52 107.763 166.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 59.7 m -109.63 113.44 26.21 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.362 -0.607 . . . . 26.83 109.362 -164.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 14.3 tp -86.52 124.3 32.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.44 1.096 . . . . 25.35 108.995 179.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 361' ' ' THR . . . . . . . . . . . . . 32.8 p -96.12 125.34 40.58 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.502 -0.479 . . . . 25.99 109.97 -177.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 23.2 m -129.71 148.03 33.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 C-N-CA 123.475 0.71 . . . . 27.01 109.916 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 363' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -68.59 -40.28 80.54 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.676 -0.693 . . . . 40.01 111.804 -178.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -138.05 150.71 47.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.354 -0.609 . . . . 51.88 109.354 -173.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 365' ' ' ALA . . . . . . . . . . . . . . . -143.39 157.74 44.21 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.789 -0.819 . . . . 35.8 108.789 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 366' ' ' SER . . . . . . . . . . . . . 32.6 p -126.12 160.31 30.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.375 -0.829 . . . . 40.02 109.421 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 64.34 29.23 13.69 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.905 -1.043 . . . . 34.29 112.554 168.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 90.6 mt -112.54 142.98 44.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.948 -0.39 . . . . 34.57 109.948 178.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 369' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -104.71 137.91 41.81 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.499 -0.926 . . . . 42.58 108.499 170.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 370' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.07 137.16 32.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.703 -0.851 . . . . 38.65 108.703 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 371' ' ' ILE . . . . . 0.452 HG21 ' NE2' ' B' ' 417' ' ' HIS . 43.0 mm -111.14 119.62 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.038 -1.097 . . . . 44.35 108.038 -179.181 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 76.95 -174.23 54.49 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 119.307 -1.425 . . . . 40.81 113.985 171.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 373' ' ' ARG . . . . . 0.406 ' NH1' ' HE ' ' B' ' 418' ' ' ARG . 0.0 OUTLIER -86.73 144.33 37.04 Favored Pre-proline 0 C--N 1.319 -0.729 0 C-N-CA 131.475 3.91 . . . . 61.52 110.225 -176.718 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.4 150.96 86.48 Favored 'Trans proline' 0 CA--C 1.518 -0.289 0 N-CA-C 110.842 -0.484 . . . . 41.67 110.842 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 375' ' ' SER . . . . . . . . . . . . . 29.6 t -138.47 141.07 39.46 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.746 -0.661 . . . . 36.2 109.569 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 71.4 p -95.22 -6.43 41.58 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 113.132 0.79 . . . . 42.1 113.132 174.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 377' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -63.18 129.25 39.5 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 118.431 0.559 . . . . 63.83 110.077 -178.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 378' ' ' HIS . . . . . . . . . . . . . 15.1 m80 65.41 17.41 10.96 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.362 0.875 . . . . 43.22 113.362 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 27.4 t -64.15 127.82 33.09 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.598 -0.689 . . . . 32.18 111.127 -174.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 380' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -69.39 -13.79 62.56 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.833 -0.621 . . . . 33.45 112.673 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 381' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -125.65 96.07 39.02 Favored Pre-proline 0 C--O 1.246 0.9 0 N-CA-C 108.416 -0.957 . . . . 33.69 108.416 -175.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.79 137.86 83.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 120.372 0.715 . . . . 45.65 111.691 -172.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.1 -8.56 79.46 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 118.988 -0.896 . . . . 40.15 114.923 -173.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -113.71 143.64 44.28 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 118.523 1.162 . . . . 36.7 110.509 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -97.48 157.59 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.886 -0.783 . . . . 30.52 108.886 168.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 386' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -121.34 146.87 46.41 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.409 0.623 . . . . 30.95 111.222 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 387' ' ' THR . . . . . . . . . . . . . 47.4 m -131.19 128.33 39.76 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.11 -1.07 . . . . 28.04 108.11 174.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 388' ' ' VAL . . . . . . . . . . . . . 17.5 t -58.74 138.56 19.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.333 0.587 . . . . 35.37 109.958 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -125.93 132.64 52.07 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.358 -0.608 . . . . 25.77 109.358 -179.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.39 154.36 47.77 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.646 0.736 . . . . 43.54 109.881 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 391' ' ' CYS . . . . . . . . . . . . . 40.9 t -61.38 128.03 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.205 -0.907 . . . . 32.02 110.56 176.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -75.94 -10.23 59.26 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 118.766 -1.174 . . . . 45.12 113.083 -176.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 393' ' ' ILE . . . . . . . . . . . . . 45.8 mm -93.29 -37.19 8.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 118.691 0.678 . . . . 40.63 111.868 179.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 394' ' ' CYS . . . . . . . . . . . . . 17.9 p -123.02 -5.2 8.47 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 114.542 1.312 . . . . 33.38 114.542 -176.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 395' ' ' ALA . . . . . . . . . . . . . . . 67.38 14.99 9.83 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 124.844 1.257 . . . . 32.47 113.655 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 50.7 m -72.55 144.32 47.98 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 121.238 -0.914 . . . . 35.91 110.117 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -64.55 127.14 30.25 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.14 -0.624 . . . . 26.17 110.283 174.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 44.9 mm -108.08 -38.36 3.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 111.837 0.31 . . . . 28.19 111.837 178.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 168.95 -135.72 3.73 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.47 -0.395 . . . . 23.6 112.211 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 400' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -147.3 148.43 31.4 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.197 -0.668 . . . . 26.49 109.197 -178.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -91.88 133.65 35.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.592 -0.892 . . . . 37.28 108.592 167.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 402' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -110.05 129.18 55.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.521 -0.918 . . . . 29.2 108.521 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 35.5 p -126.1 133.29 51.69 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.816 -0.809 . . . . 36.22 108.816 -176.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -66.58 142.59 57.44 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.345 0.593 . . . . 38.2 110.868 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 42.8 p -92.69 -5.56 51.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.665 -0.698 . . . . 50.66 112.743 175.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 406' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.24 142.36 47.32 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.486 -0.561 . . . . 62.7 109.486 179.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -69.89 -18.69 63.42 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 113.326 0.861 . . . . 77.89 113.326 -170.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -88.83 -1.96 58.35 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 113.416 0.895 . . . . 84.81 113.416 -176.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 76.0 mtp -80.53 148.76 30.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.654 0.661 . . . . 56.91 111.128 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 2.1 p -135.86 123.42 14.86 Favored Pre-proline 0 C--O 1.249 1.056 0 N-CA-C 107.893 -1.151 . . . . 56.56 107.893 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 411' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -80.06 157.92 87.65 Favored 'Cis proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.221 -1.575 . . . . 41.09 112.502 -0.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -67.49 -24.69 65.62 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.444 -0.502 . . . . 48.77 112.352 178.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 413' ' ' LYS . . . . . 0.647 ' NZ ' ' O ' ' A' ' 602' ' ' HOH . 0.0 OUTLIER -152.86 157.71 41.11 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.157 -0.683 . . . . 57.11 109.157 175.519 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -160.83 178.74 9.12 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 107.943 -1.132 . . . . 28.27 107.943 171.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 415' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -122.61 138.58 54.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 34.51 109.531 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -108.57 114.57 4.13 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.457 -1.057 . . . . 24.79 110.457 169.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 20.0 mt -105.17 127.71 53.05 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.883 -0.784 . . . . 28.72 108.883 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 418' ' ' THR . . . . . . . . . . . . . 6.6 t -81.0 134.64 35.72 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.718 -0.793 . . . . 27.65 109.692 -176.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -59.13 -39.13 81.39 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.079 -0.964 . . . . 60.05 112.276 -165.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 78.6 p -73.01 -11.31 60.52 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.915 0.709 . . . . 34.27 112.915 -175.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 421' ' ' ALA . . . . . . . . . . . . . . . -87.81 -3.2 58.96 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.078 0.769 . . . . 28.71 113.078 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 94.6 mt -117.02 152.21 35.13 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.601 0.715 . . . . 34.97 112.483 -169.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 15.5 mt -126.56 140.61 37.83 Favored Pre-proline 0 C--O 1.238 0.486 0 C-N-CA 125.136 1.374 . . . . 44.34 109.034 168.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 424' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -70.94 167.63 73.92 Favored 'Cis proline' 0 C--N 1.343 0.241 0 CA-C-N 118.557 0.52 . . . . 48.81 112.974 0.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 3.8 m -73.08 119.05 16.78 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 53.33 109.625 -177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.439 0.638 . . . . 43.9 109.895 179.889 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 120.79 0.329 . . . . 68.02 111.443 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 410' ' ' PHE . . . . . 0.513 ' HB3' HD22 ' B' ' 425' ' ' LEU . 70.4 m-85 -106.3 133.41 51.04 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.344 -0.984 . . . . 50.15 108.344 176.252 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.75 132.82 69.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 109.485 -0.561 . . . . 39.0 109.485 -170.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 412' ' ' CYS . . . . . . . . . . . . . 41.4 t -67.1 122.19 17.24 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.901 -0.59 . . . . 29.26 109.74 173.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 413' ' ' SER . . . . . . . . . . . . . 27.7 p -67.97 -15.76 63.75 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.036 -0.666 . . . . 43.57 112.441 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 414' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.51 -42.21 15.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 CA-C-N 118.621 0.646 . . . . 33.52 111.865 -176.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 415' ' ' CYS . . . . . . . . . . . . . 21.3 p -128.04 -9.9 5.39 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 114.958 1.466 . . . . 27.75 114.958 -170.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 416' ' ' GLY . . . . . . . . . . . . . . . 90.39 -5.13 82.78 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 119.596 1.089 . . . . 27.24 115.637 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 417' ' ' HIS . . . . . 0.452 ' NE2' HG21 ' A' ' 371' ' ' ILE . 3.4 t-160 -52.35 130.25 30.61 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 118.497 1.149 . . . . 32.49 111.311 174.889 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 418' ' ' ARG . . . . . 0.406 ' HE ' ' NH1' ' A' ' 373' ' ' ARG . 85.9 mtm-85 -101.98 144.53 30.48 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.892 0.377 . . . . 44.71 110.758 -175.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 419' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -134.76 145.84 48.8 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.795 -0.639 . . . . 41.63 109.818 -176.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 420' ' ' THR . . . . . . . . . . . . . 6.1 m -80.87 -33.01 34.73 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.519 -0.764 . . . . 52.71 111.653 172.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 67.1 p -110.76 139.31 46.17 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 121.884 -0.51 . . . . 47.07 110.043 -176.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -66.11 -29.12 69.38 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.83 -0.748 . . . . 71.67 111.599 178.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -67.95 -38.0 88.41 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.19 -1.005 . . . . 44.43 113.184 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -67.41 -40.44 85.58 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.195 -1.002 . . . . 40.26 110.82 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 425' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' B' ' 410' ' ' PHE . 28.3 tp -55.36 -44.06 75.65 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.835 -0.346 . . . . 39.92 110.989 176.528 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 426' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' B' ' 426' ' ' LYS . 4.8 ttmm -63.5 -47.54 81.32 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 121.088 -0.245 . . . . 70.79 111.645 -177.812 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 427' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.35 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 119.712 -0.795 . . . . 44.48 110.382 177.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 428' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -58.92 -49.53 77.46 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.838 -0.539 . . . . 32.57 111.246 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 429' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.59 -43.96 89.66 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.401 -0.52 . . . . 43.53 111.503 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 430' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -75.62 -3.74 36.15 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.631 -0.827 . . . . 61.22 112.78 -176.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 -80.73 -14.72 57.86 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.636 0.606 . . . . 52.67 112.636 170.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 432' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 118.249 0.477 . . . . 52.08 110.687 179.426 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 501' ' ' F4U . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 503' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 502' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 601' ' ' HOH . . . . . 0.601 ' O ' ' O ' ' A' ' 319' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 602' ' ' HOH . . . . . 0.647 ' O ' ' NZ ' ' A' ' 413' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 633' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.409 0.623 . . . . 91.43 111.244 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' THR . . . . . 0.601 ' O ' ' O ' ' A' ' 601' ' ' HOH . 5.0 t -71.29 -21.57 62.06 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.287 -0.87 . . . . 86.42 112.343 173.239 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' SER . . . . . . . . . . . . . 16.7 m -105.66 165.1 11.4 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 122.304 1.049 . . . . 58.53 112.734 -157.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 71.4 mt -99.98 132.84 45.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.113 -1.403 . . . . 32.62 107.748 165.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' CYS . . . . . . . . . . . . . 56.6 m -118.07 160.28 21.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.797 0.808 . . . . 36.9 111.964 -172.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' CYS . . . . . . . . . . . . . 12.2 t -58.9 123.27 15.96 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.623 -1.171 . . . . 31.07 109.673 168.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -64.26 -38.98 92.97 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.893 -0.723 . . . . 51.26 111.529 -177.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -63.51 -47.75 80.42 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.119 0.485 . . . . 58.9 111.056 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' CYS . . . . . . . . . . . . . 9.6 m -68.74 -27.5 65.97 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.525 -0.307 . . . . 38.98 111.761 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 69.93 -35.65 0.32 Allowed 'General case' 0 C--O 1.236 0.391 0 C-N-CA 126.494 1.917 . . . . 61.89 112.299 -171.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.0 -1.94 6.5 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 115.351 1.612 . . . . 62.61 115.351 -171.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 98.8 m -74.76 118.64 17.94 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.422 1.01 . . . . 34.51 109.601 173.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -82.19 129.56 34.87 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 110.025 -0.361 . . . . 51.65 110.025 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' ILE . . . . . . . . . . . . . 49.9 mm -105.83 -42.11 6.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.391 -0.368 . . . . 33.36 111.897 -176.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' THR . . . . . . . . . . . . . 8.1 t -156.71 176.31 12.9 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.297 -1.001 . . . . 33.16 108.297 179.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' THR . . . . . . . . . . . . . 68.3 p -119.22 157.68 27.52 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.691 0.758 . . . . 41.11 109.195 175.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.81 -26.64 68.83 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.949 -1.023 . . . . 50.28 111.118 -175.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.42 -17.5 64.59 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.528 0.566 . . . . 61.42 112.528 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -87.45 -9.61 54.16 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 113.457 0.91 . . . . 40.72 113.457 -179.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' ILE . . . . . . . . . . . . . 83.4 mt -70.74 137.03 24.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 118.673 0.67 . . . . 30.88 110.063 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -149.08 164.59 34.21 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.989 -0.745 . . . . 32.91 108.989 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 58.8 m -100.84 113.19 25.91 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.275 -1.009 . . . . 46.88 108.275 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 11.1 tp -100.27 -62.36 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 62.01 110.242 170.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' SER . . . . . . . . . . . . . 10.5 t -66.94 140.53 57.75 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.215 0.531 . . . . 81.71 109.961 172.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.89 -13.43 59.65 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.804 -0.635 . . . . 84.77 111.902 176.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' CYS . . . . . . . . . . . . . 65.7 m -70.11 -15.64 63.0 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.182 0.438 . . . . 96.85 112.182 170.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 122.77 -175.57 16.5 Favored Glycine 0 N--CA 1.444 -0.828 0 CA-C-O 122.104 0.836 . . . . 67.67 114.333 173.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -75.04 -22.72 14.45 Favored 'Trans proline' 0 CA--C 1.512 -0.624 0 CA-C-O 118.681 -0.633 . . . . 36.18 113.649 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' MET . . . . . . . . . . . . . 60.0 ttp -139.5 98.01 3.4 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 107.944 -1.132 . . . . 42.37 107.944 174.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -113.12 163.66 14.47 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.917 -0.772 . . . . 31.31 108.917 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' ALA . . . . . . . . . . . . . . . -89.42 131.35 35.52 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.963 -0.562 . . . . 30.23 109.615 178.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -125.91 144.87 50.5 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.92 -0.77 . . . . 34.51 108.92 178.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 350' ' ' VAL . . . . . . . . . . . . . 12.1 t -107.53 128.53 62.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.374 -0.973 . . . . 36.52 108.374 -179.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -86.8 172.57 8.02 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.111 0.482 . . . . 28.98 109.965 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -68.94 -5.5 15.83 Favored 'Trans proline' 0 C--O 1.241 0.646 0 N-CA-C 114.088 0.764 . . . . 38.09 114.088 -170.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -108.61 11.75 26.4 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 112.472 0.545 . . . . 45.35 112.472 174.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' GLY . . . . . . . . . . . . . . . 89.96 -3.11 82.61 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-O 118.787 -1.007 . . . . 33.18 115.411 174.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 355' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -73.77 133.77 43.32 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.851 1.326 . . . . 37.86 109.834 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 356' ' ' VAL . . . . . . . . . . . . . 89.6 t -97.55 127.03 50.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 N-CA-C 108.286 -1.005 . . . . 30.73 108.286 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 357' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -120.43 111.37 17.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.173 -1.417 . . . . 26.15 107.173 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.21 105.94 4.85 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.763 -1.199 . . . . 53.52 107.763 166.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 359' ' ' THR . . . . . . . . . . . . . 59.7 m -109.63 113.44 26.21 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.362 -0.607 . . . . 26.83 109.362 -164.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 360' ' ' LEU . . . . . . . . . . . . . 14.3 tp -86.52 124.3 32.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.44 1.096 . . . . 25.35 108.995 179.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 361' ' ' THR . . . . . . . . . . . . . 32.8 p -96.12 125.34 40.58 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.502 -0.479 . . . . 25.99 109.97 -177.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 362' ' ' VAL . . . . . . . . . . . . . 23.2 m -129.71 148.03 33.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 C-N-CA 123.475 0.71 . . . . 27.01 109.916 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 363' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -68.59 -40.28 80.54 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.676 -0.693 . . . . 40.01 111.804 -178.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -138.05 150.71 47.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.354 -0.609 . . . . 51.88 109.354 -173.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 365' ' ' ALA . . . . . . . . . . . . . . . -143.39 157.74 44.21 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.789 -0.819 . . . . 35.8 108.789 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 366' ' ' SER . . . . . . . . . . . . . 32.6 p -126.12 160.31 30.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.375 -0.829 . . . . 40.02 109.421 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 64.34 29.23 13.69 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.905 -1.043 . . . . 34.29 112.554 168.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 90.6 mt -112.54 142.98 44.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.948 -0.39 . . . . 34.57 109.948 178.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 369' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -104.71 137.91 41.81 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.499 -0.926 . . . . 42.58 108.499 170.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 370' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.07 137.16 32.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.703 -0.851 . . . . 38.65 108.703 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 371' ' ' ILE . . . . . 0.452 HG21 ' NE2' ' B' ' 417' ' ' HIS . 43.0 mm -111.14 119.62 60.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.038 -1.097 . . . . 44.35 108.038 -179.181 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 372' ' ' GLY . . . . . . . . . . . . . . . 76.95 -174.23 54.49 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 119.307 -1.425 . . . . 40.81 113.985 171.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 373' ' ' ARG . . . . . 0.406 ' NH1' ' HE ' ' B' ' 418' ' ' ARG . 0.0 OUTLIER -86.73 144.33 37.04 Favored Pre-proline 0 C--N 1.319 -0.729 0 C-N-CA 131.475 3.91 . . . . 61.52 110.225 -176.718 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 374' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.4 150.96 86.48 Favored 'Trans proline' 0 CA--C 1.518 -0.289 0 N-CA-C 110.842 -0.484 . . . . 41.67 110.842 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 375' ' ' SER . . . . . . . . . . . . . 29.6 t -138.47 141.07 39.46 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.746 -0.661 . . . . 36.2 109.569 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 71.4 p -95.22 -6.43 41.58 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 113.132 0.79 . . . . 42.1 113.132 174.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 377' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -63.18 129.25 39.5 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 118.431 0.559 . . . . 63.83 110.077 -178.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 378' ' ' HIS . . . . . . . . . . . . . 15.1 m80 65.41 17.41 10.96 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.362 0.875 . . . . 43.22 113.362 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 27.4 t -64.15 127.82 33.09 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.598 -0.689 . . . . 32.18 111.127 -174.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 380' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -69.39 -13.79 62.56 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.833 -0.621 . . . . 33.45 112.673 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 381' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -125.65 96.07 39.02 Favored Pre-proline 0 C--O 1.246 0.9 0 N-CA-C 108.416 -0.957 . . . . 33.69 108.416 -175.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.79 137.86 83.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 120.372 0.715 . . . . 45.65 111.691 -172.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.1 -8.56 79.46 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 118.988 -0.896 . . . . 40.15 114.923 -173.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -113.71 143.64 44.28 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 118.523 1.162 . . . . 36.7 110.509 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 385' ' ' ALA . . . . . . . . . . . . . . . -97.48 157.59 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.886 -0.783 . . . . 30.52 108.886 168.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 386' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -121.34 146.87 46.41 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.409 0.623 . . . . 30.95 111.222 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 387' ' ' THR . . . . . . . . . . . . . 47.4 m -131.19 128.33 39.76 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.11 -1.07 . . . . 28.04 108.11 174.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 388' ' ' VAL . . . . . . . . . . . . . 17.5 t -58.74 138.56 19.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.333 0.587 . . . . 35.37 109.958 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -125.93 132.64 52.07 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.358 -0.608 . . . . 25.77 109.358 -179.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.39 154.36 47.77 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.646 0.736 . . . . 43.54 109.881 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 391' ' ' CYS . . . . . . . . . . . . . 40.9 t -61.38 128.03 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.205 -0.907 . . . . 32.02 110.56 176.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -75.94 -10.23 59.26 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 118.766 -1.174 . . . . 45.12 113.083 -176.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 393' ' ' ILE . . . . . . . . . . . . . 45.8 mm -93.29 -37.19 8.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 118.691 0.678 . . . . 40.63 111.868 179.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 394' ' ' CYS . . . . . . . . . . . . . 17.9 p -123.02 -5.2 8.47 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 114.542 1.312 . . . . 33.38 114.542 -176.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 395' ' ' ALA . . . . . . . . . . . . . . . 67.38 14.99 9.83 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 124.844 1.257 . . . . 32.47 113.655 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 396' ' ' SER . . . . . . . . . . . . . 50.7 m -72.55 144.32 47.98 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 121.238 -0.914 . . . . 35.91 110.117 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -64.55 127.14 30.25 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.14 -0.624 . . . . 26.17 110.283 174.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 44.9 mm -108.08 -38.36 3.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 111.837 0.31 . . . . 28.19 111.837 178.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 168.95 -135.72 3.73 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.47 -0.395 . . . . 23.6 112.211 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 400' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -147.3 148.43 31.4 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.197 -0.668 . . . . 26.49 109.197 -178.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -91.88 133.65 35.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.592 -0.892 . . . . 37.28 108.592 167.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -110.05 129.18 55.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.521 -0.918 . . . . 29.2 108.521 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 35.5 p -126.1 133.29 51.69 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.816 -0.809 . . . . 36.22 108.816 -176.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -66.58 142.59 57.44 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.345 0.593 . . . . 38.2 110.868 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 42.8 p -92.69 -5.56 51.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.665 -0.698 . . . . 50.66 112.743 175.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.24 142.36 47.32 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.486 -0.561 . . . . 62.7 109.486 179.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -69.89 -18.69 63.42 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 113.326 0.861 . . . . 77.89 113.326 -170.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -88.83 -1.96 58.35 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 113.416 0.895 . . . . 84.81 113.416 -176.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . 76.0 mtp -80.53 148.76 30.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.654 0.661 . . . . 56.91 111.128 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 2.1 p -135.86 123.42 14.86 Favored Pre-proline 0 C--O 1.249 1.056 0 N-CA-C 107.893 -1.151 . . . . 56.56 107.893 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -80.06 157.92 87.65 Favored 'Cis proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.221 -1.575 . . . . 41.09 112.502 -0.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -67.49 -24.69 65.62 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.444 -0.502 . . . . 48.77 112.352 178.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.647 ' NZ ' ' O ' ' A' ' 602' ' ' HOH . 0.0 OUTLIER -152.86 157.71 41.11 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.157 -0.683 . . . . 57.11 109.157 175.519 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -160.83 178.74 9.12 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 107.943 -1.132 . . . . 28.27 107.943 171.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -122.61 138.58 54.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 34.51 109.531 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -108.57 114.57 4.13 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 110.457 -1.057 . . . . 24.79 110.457 169.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 20.0 mt -105.17 127.71 53.05 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.883 -0.784 . . . . 28.72 108.883 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' THR . . . . . . . . . . . . . 6.6 t -81.0 134.64 35.72 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.718 -0.793 . . . . 27.65 109.692 -176.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -59.13 -39.13 81.39 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.079 -0.964 . . . . 60.05 112.276 -165.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 78.6 p -73.01 -11.31 60.52 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.915 0.709 . . . . 34.27 112.915 -175.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 421' ' ' ALA . . . . . . . . . . . . . . . -87.81 -3.2 58.96 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.078 0.769 . . . . 28.71 113.078 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 94.6 mt -117.02 152.21 35.13 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.601 0.715 . . . . 34.97 112.483 -169.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 15.5 mt -126.56 140.61 37.83 Favored Pre-proline 0 C--O 1.238 0.486 0 C-N-CA 125.136 1.374 . . . . 44.34 109.034 168.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -70.94 167.63 73.92 Favored 'Cis proline' 0 C--N 1.343 0.241 0 CA-C-N 118.557 0.52 . . . . 48.81 112.974 0.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 3.8 m -73.08 119.05 16.78 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 53.33 109.625 -177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 426' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.439 0.638 . . . . 43.9 109.895 179.889 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 120.79 0.329 . . . . 68.02 111.443 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 410' ' ' PHE . . . . . 0.513 ' HB3' HD22 ' B' ' 425' ' ' LEU . 70.4 m-85 -106.3 133.41 51.04 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.344 -0.984 . . . . 50.15 108.344 176.252 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.75 132.82 69.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 109.485 -0.561 . . . . 39.0 109.485 -170.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 412' ' ' CYS . . . . . . . . . . . . . 41.4 t -67.1 122.19 17.24 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.901 -0.59 . . . . 29.26 109.74 173.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 413' ' ' SER . . . . . . . . . . . . . 27.7 p -67.97 -15.76 63.75 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.036 -0.666 . . . . 43.57 112.441 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 414' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.51 -42.21 15.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 CA-C-N 118.621 0.646 . . . . 33.52 111.865 -176.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 415' ' ' CYS . . . . . . . . . . . . . 21.3 p -128.04 -9.9 5.39 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 114.958 1.466 . . . . 27.75 114.958 -170.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 416' ' ' GLY . . . . . . . . . . . . . . . 90.39 -5.13 82.78 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 119.596 1.089 . . . . 27.24 115.637 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 417' ' ' HIS . . . . . 0.452 ' NE2' HG21 ' A' ' 371' ' ' ILE . 3.4 t-160 -52.35 130.25 30.61 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 118.497 1.149 . . . . 32.49 111.311 174.889 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 418' ' ' ARG . . . . . 0.406 ' HE ' ' NH1' ' A' ' 373' ' ' ARG . 85.9 mtm-85 -101.98 144.53 30.48 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.892 0.377 . . . . 44.71 110.758 -175.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 419' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -134.76 145.84 48.8 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.795 -0.639 . . . . 41.63 109.818 -176.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 420' ' ' THR . . . . . . . . . . . . . 6.1 m -80.87 -33.01 34.73 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.519 -0.764 . . . . 52.71 111.653 172.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 421' ' ' THR . . . . . . . . . . . . . 67.1 p -110.76 139.31 46.17 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 121.884 -0.51 . . . . 47.07 110.043 -176.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -66.11 -29.12 69.38 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.83 -0.748 . . . . 71.67 111.599 178.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -67.95 -38.0 88.41 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.19 -1.005 . . . . 44.43 113.184 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -67.41 -40.44 85.58 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.195 -1.002 . . . . 40.26 110.82 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 425' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' B' ' 410' ' ' PHE . 28.3 tp -55.36 -44.06 75.65 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.835 -0.346 . . . . 39.92 110.989 176.528 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 426' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' B' ' 426' ' ' LYS . 4.8 ttmm -63.5 -47.54 81.32 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 121.088 -0.245 . . . . 70.79 111.645 -177.812 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 427' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.35 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 119.712 -0.795 . . . . 44.48 110.382 177.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 428' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -58.92 -49.53 77.46 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.838 -0.539 . . . . 32.57 111.246 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 429' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.59 -43.96 89.66 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.401 -0.52 . . . . 43.53 111.503 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 430' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -75.62 -3.74 36.15 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.631 -0.827 . . . . 61.22 112.78 -176.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 -80.73 -14.72 57.86 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 112.636 0.606 . . . . 52.67 112.636 170.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 432' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 118.249 0.477 . . . . 52.08 110.687 179.426 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' F4U . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 502' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' HOH . . . . . 0.601 ' O ' ' O ' ' A' ' 319' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' HOH . . . . . 0.647 ' O ' ' NZ ' ' A' ' 413' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 618' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 620' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 633' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_