data_6z3l_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 6z3l _Structure_validation_residue.Date_analyzed 2020-06-26 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 ' 397' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.767 0.318 . . . . 121.68000000000001 110.824 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 398' ' ' ALA . . . . . . . . . . . . . . . -105.66 167.96 9.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.8 0.809 . . . . 100.42 110.486 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 399' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -71.59 173.09 8.5 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 122.064 0.935 . . . . 120.25 110.897 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 36.4 t -58.64 120.99 9.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.047 -0.979 . . . . 70.859999999999999 110.642 -178.324 174.259 53.382 76.559 104.847 2.031 104.778 64.35 -172.353 1 1 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 88.2 p -147.48 177.78 8.97 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.909 -0.775 . . . . 84.590000000000003 108.909 -177.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -104.18 131.48 51.44 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.277 -0.874 . . . . 65.359999999999999 109.618 -178.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -118.44 174.92 5.97 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.867 0.867 . . . . 114.31999999999999 109.292 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -77.43 156.6 31.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.885 0.85 . . . . 77.890000000000001 110.994 -178.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' LEU . . . . . . . . . . . . . 58.9 tp -160.1 91.81 0.97 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 106.472 -1.677 . . . . 66.379999999999995 106.472 173.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -82.92 103.23 12.23 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.835 -0.802 . . . . 58.399999999999999 108.835 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.23 128.95 38.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 108.678 -0.86 . . . . 71.129999999999995 108.678 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -122.96 111.5 16.7 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.989 -1.115 . . . . 87.609999999999999 107.989 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.56 -26.31 67.06 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.564 -0.454 . . . . 90.329999999999998 112.018 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' LYS . . . . . . . . . . . . . . . -67.01 -29.29 69.07 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.0 -0.68 . . . . 112.25 111.503 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.06 -14.97 63.33 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.747 0.647 . . . . 120.01000000000001 112.747 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' MET . . . . . . . . . . . . . 32.2 mtt -112.17 8.13 19.8 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.554 0.576 . . . . 96.280000000000001 112.554 -179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 67.05 18.81 69.36 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.803 -0.713 . . . . 134.63999999999999 114.664 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -90.5 0.26 57.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.995 0.898 . . . . 95.620000000000005 113.074 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -71.31 -11.3 60.83 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.863 0.69 . . . . 121.3 112.863 177.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -70.36 -29.65 66.38 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.239 -0.585 . . . . 141.21000000000001 111.591 177.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' TRP . . . . . . . . . . . . . 35.4 p-90 -112.34 -18.9 12.38 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 114.001 1.112 . . . . 100.73 114.001 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 56.8 mt -95.36 126.24 47.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 108.876 -0.787 . . . . 77.040000000000006 108.876 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' ILE . . . . . . . . . . . . . 77.7 mt -89.22 -52.2 11.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.412 -0.358 . . . . 81.25 111.2 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -158.04 141.63 11.17 Favored Pre-proline 0 C--O 1.239 0.513 0 N-CA-C 108.777 -0.823 . . . . 70.859999999999999 108.777 -178.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 421' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -82.48 169.51 60.74 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 124.279 -1.134 . . . . 69.150000000000006 111.864 -2.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.1 -10.94 19.24 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.956 0.724 . . . . 74.689999999999998 112.956 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 423' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -159.48 152.28 21.7 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.238 -1.023 . . . . 116.78 108.238 177.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -161.92 160.86 28.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.741 -0.663 . . . . 63.57 109.694 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -89.0 113.7 24.81 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.12 -0.945 . . . . 84.870000000000005 108.718 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 426' ' ' ALA . . . . . . . . . . . . . . . -102.67 -17.39 15.68 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.456 0.91 . . . . 51.270000000000003 113.456 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 61.93 173.73 0.13 Allowed 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.801 0.84 . . . . 54.329999999999998 111.605 -176.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 428' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -158.36 177.69 10.98 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.475 -1.305 . . . . 63.590000000000003 107.475 170.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 73.4 m -118.8 137.34 53.46 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.143 -0.48 . . . . 58.270000000000003 110.466 -173.813 -61.73 -65.568 -80.311 103.647 2.029 103.968 -82.42 -61.0 1 1 . 1 . 001 ecloud orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -162.68 145.0 10.69 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.128 -0.693 . . . . 99.299999999999997 109.128 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 431' ' ' GLY . . . . . . . . . . . . . . . 147.59 166.99 12.95 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-O 122.095 0.83 . . . . 71.439999999999998 111.121 176.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.58 149.38 48.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.619 -0.79 . . . . 101.98999999999999 110.904 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 433' ' ' CYS . . . . . . . . . . . . . 50.8 m -119.92 83.14 2.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.669 -1.234 . . . . 72.290000000000006 107.669 177.066 -76.407 -68.978 -88.892 103.244 2.03 103.872 -88.963 -65.386 1 1 . 1 . 001 ecloud orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -115.06 175.34 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.732 0.777 . . . . 136.16999999999999 109.987 -178.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 435' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -95.14 135.86 23.12 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 115.193 -0.912 . . . . 159.41 110.449 -176.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.8 169.64 45.73 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 124.741 -0.941 . . . . 111.06 112.767 -1.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 72.4 mt -83.5 108.42 16.62 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.931 -0.766 . . . . 109.36 108.931 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -96.25 116.36 28.88 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.897 -0.779 . . . . 154.63 108.897 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 69.6 m -156.19 147.35 22.32 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.879 -0.785 . . . . 115.73999999999999 108.879 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -63.78 -38.9 92.81 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.676 -0.693 . . . . 165.22999999999999 110.982 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 73.4 mt -96.74 148.55 22.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.216 0.532 . . . . 137.47 109.878 177.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.95 131.17 87.55 Favored Pre-proline 0 C--O 1.237 0.417 0 CA-C-N 115.647 -0.706 . . . . 129.65000000000001 110.257 -175.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.4 159.9 51.34 Favored 'Trans proline' 0 C--N 1.33 -0.439 0 CA-C-O 121.957 0.732 . . . . 64.290000000000006 111.101 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 80.6 p -64.36 153.59 38.01 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.948 -1.024 . . . . 53.450000000000003 110.091 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -59.89 -38.65 82.86 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.695 -0.684 . . . . 70.900000000000006 111.127 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 446' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.19 -40.28 95.76 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.211 -0.595 . . . . 56.399999999999999 111.375 179.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.25 99.75 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.104 -0.638 . . . . 65.129999999999995 110.977 178.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.26 -47.34 90.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 121.13 0.49 . . . . 63.380000000000003 110.349 176.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 449' ' ' ILE . . . . . . . . . . . . . 48.7 mt -63.76 -44.84 98.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.586 -0.445 . . . . 58.659999999999997 110.903 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -68.3 -38.68 81.88 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.071 -0.651 . . . . 59.200000000000003 111.411 -177.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 28.7 m -65.49 -39.12 91.55 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.079 -0.649 . . . . 79.200000000000003 111.019 176.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 41.4 tp -65.69 -38.77 90.18 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.968 -0.693 . . . . 85.049999999999997 111.184 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 79.8 mtp -67.76 -37.8 82.59 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.056 -0.658 . . . . 90.739999999999995 111.244 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.27 -33.71 75.88 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.996 -0.681 . . . . 89.069999999999993 111.387 175.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 37.8 t -67.67 -35.79 79.49 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.49 -0.484 . . . . 105.27 111.168 174.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 456' ' ' MET . . . . . . . . . . . . . 42.8 mtp -71.96 -68.76 0.44 Allowed 'General case' 0 C--O 1.236 0.351 0 O-C-N 122.223 -0.298 . . . . 115.61 111.114 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -121.38 92.41 48.6 Favored Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 108.543 -0.91 . . . . 132.44999999999999 108.543 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.68 -22.46 43.75 Favored 'Trans proline' 0 C--O 1.237 0.472 0 N-CA-C 113.381 0.493 . . . . 85.680000000000007 113.381 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 459' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -64.55 -30.76 71.79 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.483 0.583 . . . . 142.71000000000001 111.493 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 460' ' ' SER . . . . . . . . . . . . . 88.7 p -78.68 -71.07 0.45 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.917 0.389 . . . . 111.66 111.303 -176.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 1.6 t -101.63 142.83 25.38 Favored Pre-proline 0 C--O 1.238 0.455 0 C-N-CA 120.39 -0.524 . . . . 86.129999999999995 111.409 -172.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 462' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.97 157.74 46.75 Favored 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 120.61 0.873 . . . . 77.730000000000004 110.565 173.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 463' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.72 167.35 27.3 Favored 'Trans proline' 0 C--N 1.33 -0.416 0 CA-C-O 122.387 0.911 . . . . 61.32 111.481 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 36.9 p -68.98 166.51 17.83 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 114.72 -1.127 . . . . 64.530000000000001 109.931 172.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 465' ' ' CYS . . . . . . . . . . . . . 10.8 t -121.78 149.93 42.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.853 -0.612 . . . . 69.840000000000003 110.724 -175.615 -164.459 0.0 0.0 0.0 0.0 0.0 0.0 -164.459 1 1 . 1 . 001 ecloud orig full ' A' A ' 466' ' ' CYS . . . . . . . . . . . . . 38.7 t -81.89 112.65 19.19 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.2 -0.909 . . . . 63.689999999999998 109.06 -176.982 -172.353 64.35 76.559 104.778 2.031 104.847 53.382 174.259 1 1 . 1 . 001 ecloud orig full ' A' A ' 467' ' ' VAL . . . . . . . . . . . . . 11.4 m -139.39 160.19 62.84 Favored Pre-proline 0 C--O 1.238 0.492 0 N-CA-C 109.137 -0.69 . . . . 56.460000000000001 109.137 -176.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -62.24 141.41 87.8 Favored 'Trans proline' 0 C--O 1.233 0.249 0 CA-C-O 121.333 0.472 . . . . 54.479999999999997 111.546 177.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 19.3 p -120.48 -19.7 7.44 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 113.563 0.949 . . . . 57.43 113.563 175.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 -133.78 137.92 45.42 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.661 -0.866 . . . . 118.23 108.661 170.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.08 155.59 49.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.636 0.731 . . . . 46.509999999999998 109.67 178.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 472' ' ' SER . . . . . . . . . . . . . 50.8 p -123.82 152.52 66.19 Favored Pre-proline 0 N--CA 1.452 -0.35 0 C-N-CA 124.363 1.065 . . . . 86.650000000000006 109.778 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 473' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -85.4 168.82 9.94 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 C-N-CA 120.87 1.047 . . . . 56.969999999999999 111.758 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 474' ' ' ILE . . . . . . . . . . . . . 23.3 pt -137.13 151.83 27.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 114.892 -1.049 . . . . 68.859999999999999 108.579 168.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 42.6 m -88.49 139.12 30.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.59 -0.732 . . . . 87.200000000000003 110.024 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 476' ' ' ILE . . . . . . . . . . . . . 51.3 mt -131.13 130.18 63.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 108.351 -0.981 . . . . 53.850000000000001 108.351 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 28.2 tp -103.6 114.47 28.76 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.347 -1.353 . . . . 71.439999999999998 107.347 174.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -138.28 -177.64 4.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.502 0.668 . . . . 71.870000000000005 109.658 -172.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 45.3 mt -120.79 115.66 47.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 107.381 -1.34 . . . . 70.140000000000001 107.381 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 480' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -79.26 -170.32 2.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.678 0.751 . . . . 97.640000000000001 109.715 -176.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 64.0 p -71.86 -14.57 61.99 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.691 0.626 . . . . 104.56 112.691 -175.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -101.18 20.34 15.89 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.624 0.602 . . . . 111.81999999999999 112.624 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 483' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 57.3 38.18 28.46 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.307 0.575 . . . . 126.73999999999999 111.537 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 484' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -112.19 139.63 47.57 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.37 -0.604 . . . . 78.299999999999997 109.37 176.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 44.0 t -87.82 115.64 28.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 108.14 -1.059 . . . . 68.299999999999997 108.14 177.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 94.5 t -117.05 132.26 67.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 109.098 -0.704 . . . . 61.149999999999999 109.098 -172.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 487' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -101.15 105.7 16.88 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.408 -1.33 . . . . 128.96000000000001 107.408 171.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -120.29 137.83 54.03 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.906 0.384 . . . . 78.939999999999998 110.481 -175.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 489' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -92.16 99.71 12.46 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.159 -1.052 . . . . 100.81999999999999 108.159 177.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 490' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -80.0 127.93 32.87 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.891 -0.411 . . . . 85.060000000000002 109.891 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -88.13 162.01 16.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 116.19 110.74 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 54.55 54.39 9.36 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.217 -0.901 . . . . 80.980000000000004 111.249 176.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 493' ' ' MET . . . . . . . . . . . . . 90.1 mmm -110.82 -30.03 7.72 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 113.836 1.05 . . . . 61.899999999999999 113.836 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 494' ' ' VAL . . . . . . . . . . . . . 74.3 t -123.46 126.59 73.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.465 -0.939 . . . . 50.030000000000001 108.465 -177.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 495' ' ' VAL . . . . . . . . . . . . . 83.4 t -78.46 124.11 36.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.857 -0.794 . . . . 49.539999999999999 108.857 178.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -105.15 -15.95 14.93 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 113.386 0.884 . . . . 76.159999999999997 113.386 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 88.0 p -162.71 146.97 11.64 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.796 -0.816 . . . . 67.439999999999998 108.796 175.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 76.9 m -114.64 154.22 28.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.5 -0.773 . . . . 58.380000000000003 110.152 -179.83 -61.0 -82.42 -80.311 103.968 2.029 103.647 -65.568 -61.73 1 1 . 1 . 001 ecloud orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -159.59 167.42 35.17 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.454 -1.059 . . . . 54.780000000000001 110.454 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 98.4 m -95.55 126.25 40.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.933 -0.634 . . . . 65.099999999999994 110.01 -177.853 -65.386 -88.963 -88.892 103.872 2.03 103.244 -68.978 -76.407 1 1 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' ARG . . . . . 0.465 ' NE ' ' O ' ' A' ' 601' ' ' HOH . 90.0 mmt-85 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 72.180000000000007 111.61 -177.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.668 0.271 . . . . 195.84999999999999 110.829 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 53.1 t -74.96 124.92 27.81 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.237 -0.438 . . . . 191.90000000000001 109.901 -178.137 -178.899 61.923 95.151 104.262 2.031 105.127 -96.239 -43.539 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -107.21 50.95 0.75 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.539 -0.3 . . . . 187.59999999999999 111.198 -177.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 tp -77.23 -30.76 17.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.024 -0.67 . . . . 178.88 111.131 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -71.28 -22.21 61.99 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.679 -0.638 . . . . 178.5 112.605 179.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -65.27 -26.17 67.97 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.267 -0.573 . . . . 198.41999999999999 111.492 179.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 32.7 m -78.86 -21.07 48.08 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.846 0.684 . . . . 232.94999999999999 112.846 -179.965 -50.373 -61.758 -78.828 104.126 2.029 104.079 -94.754 -177.175 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ASN . . . . . 0.417 ' OD1' ' OH ' ' B' ' 86' ' ' TYR . 4.1 m-20 -80.35 -6.62 58.27 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.151 0.797 . . . . 201.06 113.151 -179.012 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.01 -52.52 8.67 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.507 0.594 . . . . 198.96000000000001 111.554 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -67.99 -21.01 65.08 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.389 0.514 . . . . 193.38999999999999 112.389 -178.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 88.3 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 118.043 0.383 . . . . 176.50999999999999 111.13 -179.771 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.808 0.337 . . . . 220.16999999999999 110.667 . -47.729 -84.427 -84.196 105.037 2.032 104.243 -58.077 -77.603 0 0 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -69.49 -38.78 77.82 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.057 -0.519 . . . . 240.94999999999999 111.225 178.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.38 -34.84 78.6 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.421 -0.512 . . . . 275.47000000000003 111.206 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.09 -40.05 90.48 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.532 -0.467 . . . . 243.06 111.223 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -66.04 -38.04 87.37 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.235 -0.586 . . . . 204.78 111.361 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . . . -64.75 -42.12 95.4 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.078 -0.649 . . . . 234.31 111.096 176.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' TYR . . . . . 0.417 ' OH ' ' OD1' ' B' ' 43' ' ' ASN . 0.7 OUTLIER -59.88 -43.65 94.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.649 0.262 . . . . 243.50999999999999 111.003 175.65 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.9 96.32 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.72 -0.392 . . . . 222.66999999999999 111.348 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.1 tp -64.06 -38.89 92.72 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.406 -0.518 . . . . 223.56 111.228 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' CYS . . . . . . . . . . . . . 46.4 t -65.16 -41.9 94.25 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.36 -0.536 . . . . 276.89999999999998 111.157 177.888 -177.175 -94.754 -78.828 104.079 2.029 104.126 -61.758 -50.373 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 36.9 p -64.63 -36.74 85.24 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.259 -0.576 . . . . 257.0 111.224 177.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -63.72 -40.59 97.14 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.188 -0.605 . . . . 205.44999999999999 110.962 174.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . . . -67.32 -37.55 83.49 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.658 -0.417 . . . . 196.90000000000001 111.531 -178.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' THR . . . . . . . . . . . . . 15.3 t -94.69 12.8 26.5 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.108 0.781 . . . . 195.53 113.108 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.26 -8.29 56.23 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.479 0.918 . . . . 212.25 113.479 -176.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . . . -75.15 -56.53 4.64 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 118.668 0.667 . . . . 214.96000000000001 111.285 -175.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 53.2 p -71.06 -18.32 62.56 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.764 0.653 . . . . 212.5 112.764 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 7.5 m -90.23 77.16 6.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 122.253 1.025 . . . . 211.49000000000001 108.556 -179.398 -43.539 -96.239 95.151 105.127 2.031 104.262 61.923 -178.899 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -66.73 -49.01 67.38 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.329 -0.851 . . . . 186.69 111.017 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -148.28 76.42 0.25 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.555 -0.355 . . . . 172.81999999999999 112.804 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -119.2 132.75 55.98 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.015 -0.735 . . . . 187.22 109.015 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.45 -34.39 77.83 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.461 -0.495 . . . . 159.50999999999999 111.87 -177.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.25 -34.93 79.25 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.426 -0.51 . . . . 164.47999999999999 111.696 -178.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -65.08 -51.48 61.17 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 120.697 -0.401 . . . . 185.84999999999999 111.164 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -63.64 -36.79 84.99 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.54 -0.464 . . . . 193.53 111.206 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 21.5 t -65.08 -41.6 94.87 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.298 -0.561 . . . . 182.81999999999999 111.209 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.36 86.03 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.557 -0.457 . . . . 172.83000000000001 111.236 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.98 -44.83 97.98 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 C-N-CA 120.19 -0.604 . . . . 195.37 110.465 176.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -61.92 -38.93 90.28 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.591 -0.444 . . . . 192.91 111.108 177.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -67.13 -40.36 92.74 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 120.141 -1.028 . . . . 221.91999999999999 112.809 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.18 -44.25 94.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 O-C-N 122.279 -0.542 . . . . 228.66999999999999 110.326 175.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.95 -42.08 97.41 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.13 -0.628 . . . . 247.56 111.379 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -66.34 -35.52 80.56 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.736 -0.386 . . . . 234.28999999999999 111.491 -179.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.53 -28.68 56.44 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.146 0.424 . . . . 215.61000000000001 112.146 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 73.9 mtp -73.88 -38.19 64.48 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.059 -0.656 . . . . 207.08000000000001 111.247 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 58.6 mt -70.01 -35.94 66.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 120.164 -0.615 . . . . 236.55000000000001 110.527 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLN . . . . . . . . . . . . . . . -64.61 151.69 44.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.517 0.675 . . . . 248.02000000000001 110.981 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 57.21 -109.42 0.48 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.323 -0.853 . . . . 244.69999999999999 110.993 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -155.98 102.4 2.16 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.074 -1.084 . . . . 226.22 108.074 -179.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 36.2 m -139.59 164.42 29.96 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.002 -0.74 . . . . 215.00999999999999 109.002 174.026 -77.603 -58.077 -84.196 104.243 2.032 105.037 -84.427 -47.729 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.514 -0.767 . . . . 198.49000000000001 111.037 179.934 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' HOH . . . . . 0.465 ' O ' ' NE ' ' A' ' 501' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.767 0.318 . . . . 121.68 110.824 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 398' ' ' ALA . . . . . . . . . . . . . . . -105.66 167.96 9.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.8 0.809 . . . . 100.42 110.486 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 399' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -71.59 173.09 8.5 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 122.064 0.935 . . . . 120.25 110.897 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 36.4 t -58.64 120.99 9.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.047 -0.979 . . . . 70.86 110.642 -178.324 174.259 53.382 76.559 104.847 2.031 104.778 64.35 -172.353 1 1 . 1 . 001 ecloud build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 88.2 p -147.48 177.78 8.97 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.909 -0.775 . . . . 84.59 108.909 -177.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -104.18 131.48 51.44 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.277 -0.874 . . . . 65.36 109.618 -178.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -118.44 174.92 5.97 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.867 0.867 . . . . 114.32 109.292 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -77.43 156.6 31.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.885 0.85 . . . . 77.89 110.994 -178.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 405' ' ' LEU . . . . . . . . . . . . . 58.9 tp -160.1 91.81 0.97 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 106.472 -1.677 . . . . 66.38 106.472 173.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -82.92 103.23 12.23 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.835 -0.802 . . . . 78.13 108.835 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.23 128.95 38.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 108.678 -0.86 . . . . 71.13 108.678 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -122.96 111.5 16.7 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.989 -1.115 . . . . 87.61 107.989 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 409' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.56 -26.31 67.06 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.564 -0.454 . . . . 90.33 112.018 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 410' ' ' LYS . . . . . . . . . . . . . . . -67.01 -29.29 69.07 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.0 -0.68 . . . . 112.25 111.503 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.06 -14.97 63.33 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.747 0.647 . . . . 120.01 112.747 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 412' ' ' MET . . . . . . . . . . . . . 32.2 mtt -112.17 8.13 19.8 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.554 0.576 . . . . 96.28 112.554 -179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 67.05 18.81 69.36 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.803 -0.713 . . . . 134.64 114.664 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -90.5 0.26 57.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.995 0.898 . . . . 95.62 113.074 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -71.31 -11.3 60.83 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.863 0.69 . . . . 121.3 112.863 177.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 416' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -70.36 -29.65 66.38 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.239 -0.585 . . . . 141.21 111.591 177.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 417' ' ' TRP . . . . . . . . . . . . . 35.4 p-90 -112.34 -18.9 12.38 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 114.001 1.112 . . . . 100.73 114.001 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 56.8 mt -95.36 126.24 47.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 108.876 -0.787 . . . . 77.04 108.876 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 419' ' ' ILE . . . . . . . . . . . . . 77.7 mt -89.22 -52.2 11.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.412 -0.358 . . . . 81.25 111.2 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -158.04 141.63 11.17 Favored Pre-proline 0 C--O 1.239 0.513 0 N-CA-C 108.777 -0.823 . . . . 70.86 108.777 -178.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 421' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -82.48 169.51 60.74 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 124.279 -1.134 . . . . 69.15 111.864 -2.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.1 -10.94 19.24 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.956 0.724 . . . . 74.69 112.956 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 423' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -159.48 152.28 21.7 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.238 -1.023 . . . . 116.78 108.238 177.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -161.92 160.86 28.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.741 -0.663 . . . . 63.57 109.694 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -89.0 113.7 24.81 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.12 -0.945 . . . . 84.87 108.718 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 426' ' ' ALA . . . . . . . . . . . . . . . -102.67 -17.39 15.68 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.456 0.91 . . . . 51.27 113.456 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 61.93 173.73 0.13 Allowed 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.801 0.84 . . . . 54.33 111.605 -176.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 428' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -158.36 177.69 10.98 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.475 -1.305 . . . . 63.59 107.475 170.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 73.4 m -118.8 137.34 53.46 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.143 -0.48 . . . . 58.27 110.466 -173.813 -61.73 -65.568 -80.311 103.647 2.029 103.968 -82.42 -61.0 1 1 . 1 . 001 ecloud build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -162.68 145.0 10.69 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.128 -0.693 . . . . 99.3 109.128 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 431' ' ' GLY . . . . . . . . . . . . . . . 147.59 166.99 12.95 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-O 122.095 0.83 . . . . 71.44 111.121 176.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.58 149.38 48.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.619 -0.79 . . . . 101.99 110.904 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 433' ' ' CYS . . . . . . . . . . . . . 50.8 m -119.92 83.14 2.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.669 -1.234 . . . . 72.29 107.669 177.066 -76.407 -68.978 -88.892 103.244 2.03 103.872 -88.963 -65.386 1 1 . 1 . 001 ecloud build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -115.06 175.34 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.732 0.777 . . . . 136.17 109.987 -178.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 435' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -95.14 135.86 23.12 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 115.193 -0.912 . . . . 159.41 110.449 -176.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.8 169.64 45.73 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 124.741 -0.941 . . . . 111.06 112.767 -1.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 72.4 mt -83.5 108.42 16.62 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.931 -0.766 . . . . 109.36 108.931 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -96.25 116.36 28.88 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.897 -0.779 . . . . 154.63 108.897 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 69.6 m -156.19 147.35 22.32 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.879 -0.785 . . . . 115.74 108.879 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -63.78 -38.9 92.81 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.676 -0.693 . . . . 165.23 110.982 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 73.4 mt -96.74 148.55 22.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.216 0.532 . . . . 137.47 109.878 177.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.95 131.17 87.55 Favored Pre-proline 0 C--O 1.237 0.417 0 CA-C-N 115.647 -0.706 . . . . 129.65 110.257 -175.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.4 159.9 51.34 Favored 'Trans proline' 0 C--N 1.33 -0.439 0 CA-C-O 121.957 0.732 . . . . 64.29 111.101 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 80.6 p -64.36 153.59 38.01 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.948 -1.024 . . . . 53.45 110.091 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -59.89 -38.65 82.86 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.695 -0.684 . . . . 70.9 111.127 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 446' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.19 -40.28 95.76 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.211 -0.595 . . . . 56.4 111.375 179.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.25 99.75 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.104 -0.638 . . . . 65.13 110.977 178.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.26 -47.34 90.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 121.13 0.49 . . . . 63.38 110.349 176.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 449' ' ' ILE . . . . . . . . . . . . . 48.7 mt -63.76 -44.84 98.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.586 -0.445 . . . . 58.66 110.903 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -68.3 -38.68 81.88 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.071 -0.651 . . . . 59.2 111.411 -177.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 28.7 m -65.49 -39.12 91.55 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.079 -0.649 . . . . 79.2 111.019 176.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 41.4 tp -65.69 -38.77 90.18 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.968 -0.693 . . . . 85.05 111.184 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 79.8 mtp -67.76 -37.8 82.59 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.056 -0.658 . . . . 90.74 111.244 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.27 -33.71 75.88 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.996 -0.681 . . . . 89.07 111.387 175.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 37.8 t -67.67 -35.79 79.49 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.49 -0.484 . . . . 105.27 111.168 174.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 456' ' ' MET . . . . . . . . . . . . . 42.8 mtp -71.96 -68.76 0.44 Allowed 'General case' 0 C--O 1.236 0.351 0 O-C-N 122.223 -0.298 . . . . 115.61 111.114 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -121.38 92.41 48.6 Favored Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 108.543 -0.91 . . . . 132.45 108.543 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.68 -22.46 43.75 Favored 'Trans proline' 0 C--O 1.237 0.472 0 N-CA-C 113.381 0.493 . . . . 85.68 113.381 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 459' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -64.55 -30.76 71.79 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.483 0.583 . . . . 142.71 111.493 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 460' ' ' SER . . . . . . . . . . . . . 88.7 p -78.68 -71.07 0.45 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.917 0.389 . . . . 111.66 111.303 -176.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 1.6 t -101.63 142.83 25.38 Favored Pre-proline 0 C--O 1.238 0.455 0 C-N-CA 120.39 -0.524 . . . . 86.13 111.409 -172.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 462' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.97 157.74 46.75 Favored 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 120.61 0.873 . . . . 77.73 110.565 173.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 463' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.72 167.35 27.3 Favored 'Trans proline' 0 C--N 1.33 -0.416 0 CA-C-O 122.387 0.911 . . . . 61.32 111.481 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 36.9 p -68.98 166.51 17.83 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 114.72 -1.127 . . . . 64.53 109.931 172.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 465' ' ' CYS . . . . . . . . . . . . . 10.8 t -121.78 149.93 42.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.853 -0.612 . . . . 69.84 110.724 -175.615 -164.459 0.0 0.0 0.0 0.0 0.0 0.0 -164.459 1 1 . 1 . 001 ecloud build full ' A' A ' 466' ' ' CYS . . . . . . . . . . . . . 38.7 t -81.89 112.65 19.19 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.2 -0.909 . . . . 63.69 109.06 -176.982 -172.353 64.35 76.559 104.778 2.031 104.847 53.382 174.259 1 1 . 1 . 001 ecloud build full ' A' A ' 467' ' ' VAL . . . . . . . . . . . . . 11.4 m -139.39 160.19 62.84 Favored Pre-proline 0 C--O 1.238 0.492 0 N-CA-C 109.137 -0.69 . . . . 56.46 109.137 -176.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -62.24 141.41 87.8 Favored 'Trans proline' 0 C--O 1.233 0.249 0 CA-C-O 121.333 0.472 . . . . 54.48 111.546 177.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 19.3 p -120.48 -19.7 7.44 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 113.563 0.949 . . . . 57.43 113.563 175.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 -133.78 137.92 45.42 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.661 -0.866 . . . . 118.23 108.661 170.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.08 155.59 49.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.636 0.731 . . . . 46.51 109.67 178.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 472' ' ' SER . . . . . . . . . . . . . 50.8 p -123.82 152.52 66.19 Favored Pre-proline 0 N--CA 1.452 -0.35 0 C-N-CA 124.363 1.065 . . . . 86.65 109.778 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 473' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -85.4 168.82 9.94 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 C-N-CA 120.87 1.047 . . . . 56.97 111.758 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 474' ' ' ILE . . . . . . . . . . . . . 23.3 pt -137.13 151.83 27.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 114.892 -1.049 . . . . 68.86 108.579 168.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 42.6 m -88.49 139.12 30.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.59 -0.732 . . . . 87.2 110.024 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 476' ' ' ILE . . . . . . . . . . . . . 51.3 mt -131.13 130.18 63.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 108.351 -0.981 . . . . 53.85 108.351 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 28.2 tp -103.6 114.47 28.76 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.347 -1.353 . . . . 71.44 107.347 174.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -138.28 -177.64 4.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.502 0.668 . . . . 71.87 109.658 -172.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 45.3 mt -120.79 115.66 47.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 107.381 -1.34 . . . . 70.14 107.381 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 480' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -79.26 -170.32 2.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.678 0.751 . . . . 97.64 109.715 -176.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 64.0 p -71.86 -14.57 61.99 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.691 0.626 . . . . 104.56 112.691 -175.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -101.18 20.34 15.89 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.624 0.602 . . . . 111.82 112.624 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 483' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 57.3 38.18 28.46 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.307 0.575 . . . . 126.74 111.537 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 484' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -112.19 139.63 47.57 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.37 -0.604 . . . . 78.3 109.37 176.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 44.0 t -87.82 115.64 28.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 108.14 -1.059 . . . . 68.3 108.14 177.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 94.5 t -117.05 132.26 67.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 109.098 -0.704 . . . . 61.15 109.098 -172.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 487' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -101.15 105.7 16.88 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.408 -1.33 . . . . 128.96 107.408 171.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -120.29 137.83 54.03 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.906 0.384 . . . . 78.94 110.481 -175.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 489' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -92.16 99.71 12.46 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.159 -1.052 . . . . 100.82 108.159 177.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 490' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -80.0 127.93 32.87 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.891 -0.411 . . . . 85.06 109.891 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -88.13 162.01 16.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 116.19 110.74 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 54.55 54.39 9.36 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.217 -0.901 . . . . 80.98 111.249 176.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 493' ' ' MET . . . . . . . . . . . . . 90.1 mmm -110.82 -30.03 7.72 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 113.836 1.05 . . . . 61.9 113.836 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 494' ' ' VAL . . . . . . . . . . . . . 74.3 t -123.46 126.59 73.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.465 -0.939 . . . . 50.03 108.465 -177.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 495' ' ' VAL . . . . . . . . . . . . . 83.4 t -78.46 124.11 36.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.857 -0.794 . . . . 49.54 108.857 178.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -105.15 -15.95 14.93 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 113.386 0.884 . . . . 76.16 113.386 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 88.0 p -162.71 146.97 11.64 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.796 -0.816 . . . . 67.44 108.796 175.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 76.9 m -114.64 154.22 28.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.5 -0.773 . . . . 58.38 110.152 -179.83 -61.0 -82.42 -80.311 103.968 2.029 103.647 -65.568 -61.73 1 1 . 1 . 001 ecloud build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -159.59 167.42 35.17 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.454 -1.059 . . . . 54.78 110.454 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 98.4 m -95.55 126.25 40.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.933 -0.634 . . . . 65.1 110.01 -177.853 -65.386 -88.963 -88.892 103.872 2.03 103.244 -68.978 -76.407 1 1 . 1 . 001 ecloud build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 72.18 111.61 -177.273 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.668 0.271 . . . . 195.85 110.829 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 53.1 t -74.96 124.92 27.81 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.237 -0.438 . . . . 191.9 109.901 -178.137 -178.899 61.923 95.151 104.262 2.031 105.127 -96.239 -43.539 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -107.21 50.95 0.75 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.539 -0.3 . . . . 187.6 111.198 -177.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 tp -77.23 -30.76 17.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.024 -0.67 . . . . 178.88 111.131 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -71.28 -22.21 61.99 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.679 -0.638 . . . . 178.5 112.605 179.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -65.27 -26.17 67.97 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.267 -0.573 . . . . 198.42 111.492 179.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 32.7 m -78.86 -21.07 48.08 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.846 0.684 . . . . 232.95 112.846 -179.965 -50.373 -61.758 -78.828 104.126 2.029 104.079 -94.754 -177.175 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -80.35 -6.62 58.27 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.151 0.797 . . . . 201.06 113.151 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.01 -52.52 8.67 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.507 0.594 . . . . 198.96 111.554 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -67.99 -21.01 65.08 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.389 0.514 . . . . 193.39 112.389 -178.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 88.3 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 118.043 0.383 . . . . 176.51 111.13 -179.771 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.808 0.337 . . . . 220.17 110.667 . -47.729 -84.427 -84.196 105.037 2.032 104.243 -58.077 -77.603 0 0 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -69.49 -38.78 77.82 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.057 -0.519 . . . . 240.95 111.225 178.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.38 -34.84 78.6 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.421 -0.512 . . . . 275.47 111.206 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.09 -40.05 90.48 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.532 -0.467 . . . . 243.06 111.223 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -66.04 -38.04 87.37 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.235 -0.586 . . . . 204.78 111.361 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . . . -64.75 -42.12 95.4 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.078 -0.649 . . . . 234.31 111.096 176.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -43.65 94.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.649 0.262 . . . . 243.51 111.003 175.65 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.9 96.32 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.72 -0.392 . . . . 222.67 111.348 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.1 tp -64.06 -38.89 92.72 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.406 -0.518 . . . . 223.56 111.228 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' CYS . . . . . . . . . . . . . 46.4 t -65.16 -41.9 94.25 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.36 -0.536 . . . . 276.9 111.157 177.888 -177.175 -94.754 -78.828 104.079 2.029 104.126 -61.758 -50.373 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 36.9 p -64.63 -36.74 85.24 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.259 -0.576 . . . . 257.0 111.224 177.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -63.72 -40.59 97.14 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.188 -0.605 . . . . 205.45 110.962 174.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . . . -67.32 -37.55 83.49 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.658 -0.417 . . . . 196.9 111.531 -178.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' THR . . . . . . . . . . . . . 15.3 t -94.69 12.8 26.5 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.108 0.781 . . . . 195.53 113.108 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.26 -8.29 56.23 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.479 0.918 . . . . 212.25 113.479 -176.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . . . -75.15 -56.53 4.64 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 118.668 0.667 . . . . 214.96 111.285 -175.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 53.2 p -71.06 -18.32 62.56 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.764 0.653 . . . . 212.5 112.764 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 7.5 m -90.23 77.16 6.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 122.253 1.025 . . . . 211.49 108.556 -179.398 -43.539 -96.239 95.151 105.127 2.031 104.262 61.923 -178.899 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -66.73 -49.01 67.38 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.329 -0.851 . . . . 186.69 111.017 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -148.28 76.42 0.25 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.555 -0.355 . . . . 172.82 112.804 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -119.2 132.75 55.98 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.015 -0.735 . . . . 187.22 109.015 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.45 -34.39 77.83 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.461 -0.495 . . . . 159.51 111.87 -177.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.25 -34.93 79.25 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.426 -0.51 . . . . 164.48 111.696 -178.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -65.08 -51.48 61.17 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 120.697 -0.401 . . . . 185.85 111.164 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -63.64 -36.79 84.99 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.54 -0.464 . . . . 193.53 111.206 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 21.5 t -65.08 -41.6 94.87 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.298 -0.561 . . . . 182.82 111.209 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.36 86.03 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.557 -0.457 . . . . 172.83 111.236 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.98 -44.83 97.98 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 C-N-CA 120.19 -0.604 . . . . 195.37 110.465 176.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -61.92 -38.93 90.28 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.591 -0.444 . . . . 192.91 111.108 177.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -67.13 -40.36 92.74 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 120.141 -1.028 . . . . 221.92 112.809 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.18 -44.25 94.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 O-C-N 122.279 -0.542 . . . . 228.67 110.326 175.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.95 -42.08 97.41 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.13 -0.628 . . . . 247.56 111.379 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -66.34 -35.52 80.56 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.736 -0.386 . . . . 234.29 111.491 -179.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.53 -28.68 56.44 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.146 0.424 . . . . 215.61 112.146 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 73.9 mtp -73.88 -38.19 64.48 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.059 -0.656 . . . . 207.08 111.247 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 58.6 mt -70.01 -35.94 66.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 120.164 -0.615 . . . . 236.55 110.527 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLN . . . . . . . . . . . . . . . -64.61 151.69 44.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.517 0.675 . . . . 248.02 110.981 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 57.21 -109.42 0.48 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.323 -0.853 . . . . 244.7 110.993 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -155.98 102.4 2.16 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.074 -1.084 . . . . 226.22 108.074 -179.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 36.2 m -139.59 164.42 29.96 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.002 -0.74 . . . . 215.01 109.002 174.026 -77.603 -58.077 -84.196 104.243 2.032 105.037 -84.427 -47.729 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.514 -0.767 . . . . 198.49 111.037 179.934 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.767 0.318 . . . . 121.68 110.824 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 398' ' ' ALA . . . . . . . . . . . . . . . -105.66 167.96 9.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.8 0.809 . . . . 100.42 110.486 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 399' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -71.59 173.09 8.5 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 122.064 0.935 . . . . 120.25 110.897 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 36.4 t -58.64 120.99 9.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.047 -0.979 . . . . 70.86 110.642 -178.324 174.259 53.382 76.559 104.847 2.031 104.778 64.35 -172.353 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 88.2 p -147.48 177.78 8.97 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.909 -0.775 . . . . 84.59 108.909 -177.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -104.18 131.48 51.44 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.277 -0.874 . . . . 65.36 109.618 -178.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -118.44 174.92 5.97 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.867 0.867 . . . . 114.32 109.292 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -77.43 156.6 31.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.885 0.85 . . . . 77.89 110.994 -178.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' LEU . . . . . . . . . . . . . 58.9 tp -160.1 91.81 0.97 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 106.472 -1.677 . . . . 66.38 106.472 173.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -82.92 103.23 12.23 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.835 -0.802 . . . . 78.13 108.835 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.23 128.95 38.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 108.678 -0.86 . . . . 71.13 108.678 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -122.96 111.5 16.7 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.989 -1.115 . . . . 87.61 107.989 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.56 -26.31 67.06 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.564 -0.454 . . . . 90.33 112.018 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' LYS . . . . . . . . . . . . . . . -67.01 -29.29 69.07 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.0 -0.68 . . . . 112.25 111.503 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.06 -14.97 63.33 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.747 0.647 . . . . 120.01 112.747 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' MET . . . . . . . . . . . . . 32.2 mtt -112.17 8.13 19.8 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.554 0.576 . . . . 96.28 112.554 -179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' GLY . . . . . . . . . . . . . . . 67.05 18.81 69.36 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.803 -0.713 . . . . 134.64 114.664 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -90.5 0.26 57.39 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.995 0.898 . . . . 95.62 113.074 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -71.31 -11.3 60.83 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.863 0.69 . . . . 121.3 112.863 177.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -70.36 -29.65 66.38 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.239 -0.585 . . . . 141.21 111.591 177.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' TRP . . . . . . . . . . . . . 35.4 p-90 -112.34 -18.9 12.38 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 114.001 1.112 . . . . 100.73 114.001 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 56.8 mt -95.36 126.24 47.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 108.876 -0.787 . . . . 77.04 108.876 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' ILE . . . . . . . . . . . . . 77.7 mt -89.22 -52.2 11.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.412 -0.358 . . . . 81.25 111.2 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -158.04 141.63 11.17 Favored Pre-proline 0 C--O 1.239 0.513 0 N-CA-C 108.777 -0.823 . . . . 70.86 108.777 -178.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 421' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -82.48 169.51 60.74 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 124.279 -1.134 . . . . 69.15 111.864 -2.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.1 -10.94 19.24 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.956 0.724 . . . . 74.69 112.956 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -159.48 152.28 21.7 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.238 -1.023 . . . . 116.78 108.238 177.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -161.92 160.86 28.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.741 -0.663 . . . . 63.57 109.694 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -89.0 113.7 24.81 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.12 -0.945 . . . . 84.87 108.718 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 426' ' ' ALA . . . . . . . . . . . . . . . -102.67 -17.39 15.68 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.456 0.91 . . . . 51.27 113.456 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 61.93 173.73 0.13 Allowed 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.801 0.84 . . . . 54.33 111.605 -176.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 428' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -158.36 177.69 10.98 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.475 -1.305 . . . . 63.59 107.475 170.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 73.4 m -118.8 137.34 53.46 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.143 -0.48 . . . . 58.27 110.466 -173.813 -61.73 -65.568 -80.311 103.647 2.029 103.968 -82.42 -61.0 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -162.68 145.0 10.69 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.128 -0.693 . . . . 99.3 109.128 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 431' ' ' GLY . . . . . . . . . . . . . . . 147.59 166.99 12.95 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-O 122.095 0.83 . . . . 71.44 111.121 176.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.58 149.38 48.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.619 -0.79 . . . . 101.99 110.904 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 433' ' ' CYS . . . . . . . . . . . . . 50.8 m -119.92 83.14 2.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.669 -1.234 . . . . 72.29 107.669 177.066 -76.407 -68.978 -88.892 103.244 2.03 103.872 -88.963 -65.386 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -115.06 175.34 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.732 0.777 . . . . 136.17 109.987 -178.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 435' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -95.14 135.86 23.12 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 115.193 -0.912 . . . . 159.41 110.449 -176.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.8 169.64 45.73 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 124.741 -0.941 . . . . 111.06 112.767 -1.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 72.4 mt -83.5 108.42 16.62 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.931 -0.766 . . . . 109.36 108.931 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -96.25 116.36 28.88 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.897 -0.779 . . . . 154.63 108.897 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 439' ' ' SER . . . . . . . . . . . . . 69.6 m -156.19 147.35 22.32 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.879 -0.785 . . . . 115.74 108.879 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -63.78 -38.9 92.81 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.676 -0.693 . . . . 165.23 110.982 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 73.4 mt -96.74 148.55 22.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.216 0.532 . . . . 137.47 109.878 177.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.95 131.17 87.55 Favored Pre-proline 0 C--O 1.237 0.417 0 CA-C-N 115.647 -0.706 . . . . 129.65 110.257 -175.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.4 159.9 51.34 Favored 'Trans proline' 0 C--N 1.33 -0.439 0 CA-C-O 121.957 0.732 . . . . 64.29 111.101 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 80.6 p -64.36 153.59 38.01 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.948 -1.024 . . . . 53.45 110.091 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -59.89 -38.65 82.86 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.695 -0.684 . . . . 70.9 111.127 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 446' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.19 -40.28 95.76 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.211 -0.595 . . . . 56.4 111.375 179.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.25 99.75 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.104 -0.638 . . . . 65.13 110.977 178.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 448' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.26 -47.34 90.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 121.13 0.49 . . . . 63.38 110.349 176.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 449' ' ' ILE . . . . . . . . . . . . . 48.7 mt -63.76 -44.84 98.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.586 -0.445 . . . . 58.66 110.903 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -68.3 -38.68 81.88 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.071 -0.651 . . . . 59.2 111.411 -177.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 28.7 m -65.49 -39.12 91.55 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.079 -0.649 . . . . 79.2 111.019 176.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 41.4 tp -65.69 -38.77 90.18 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.968 -0.693 . . . . 85.05 111.184 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 79.8 mtp -67.76 -37.8 82.59 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.056 -0.658 . . . . 90.74 111.244 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.27 -33.71 75.88 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.996 -0.681 . . . . 89.07 111.387 175.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 37.8 t -67.67 -35.79 79.49 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.49 -0.484 . . . . 105.27 111.168 174.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 456' ' ' MET . . . . . . . . . . . . . 42.8 mtp -71.96 -68.76 0.44 Allowed 'General case' 0 C--O 1.236 0.351 0 O-C-N 122.223 -0.298 . . . . 115.61 111.114 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -121.38 92.41 48.6 Favored Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 108.543 -0.91 . . . . 132.45 108.543 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.68 -22.46 43.75 Favored 'Trans proline' 0 C--O 1.237 0.472 0 N-CA-C 113.381 0.493 . . . . 85.68 113.381 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 459' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -64.55 -30.76 71.79 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.483 0.583 . . . . 142.71 111.493 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 460' ' ' SER . . . . . . . . . . . . . 88.7 p -78.68 -71.07 0.45 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.917 0.389 . . . . 111.66 111.303 -176.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 1.6 t -101.63 142.83 25.38 Favored Pre-proline 0 C--O 1.238 0.455 0 C-N-CA 120.39 -0.524 . . . . 86.13 111.409 -172.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 462' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.97 157.74 46.75 Favored 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 120.61 0.873 . . . . 77.73 110.565 173.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 463' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.72 167.35 27.3 Favored 'Trans proline' 0 C--N 1.33 -0.416 0 CA-C-O 122.387 0.911 . . . . 61.32 111.481 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 36.9 p -68.98 166.51 17.83 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 114.72 -1.127 . . . . 64.53 109.931 172.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 465' ' ' CYS . . . . . . . . . . . . . 10.8 t -121.78 149.93 42.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.853 -0.612 . . . . 69.84 110.724 -175.615 -164.459 0.0 0.0 0.0 0.0 0.0 0.0 -164.459 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 466' ' ' CYS . . . . . . . . . . . . . 38.7 t -81.89 112.65 19.19 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.2 -0.909 . . . . 63.69 109.06 -176.982 -172.353 64.35 76.559 104.778 2.031 104.847 53.382 174.259 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 467' ' ' VAL . . . . . . . . . . . . . 11.4 m -139.39 160.19 62.84 Favored Pre-proline 0 C--O 1.238 0.492 0 N-CA-C 109.137 -0.69 . . . . 56.46 109.137 -176.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -62.24 141.41 87.8 Favored 'Trans proline' 0 C--O 1.233 0.249 0 CA-C-O 121.333 0.472 . . . . 54.48 111.546 177.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 19.3 p -120.48 -19.7 7.44 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 113.563 0.949 . . . . 57.43 113.563 175.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 -133.78 137.92 45.42 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.661 -0.866 . . . . 118.23 108.661 170.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.08 155.59 49.97 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.636 0.731 . . . . 46.51 109.67 178.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 472' ' ' SER . . . . . . . . . . . . . 50.8 p -123.82 152.52 66.19 Favored Pre-proline 0 N--CA 1.452 -0.35 0 C-N-CA 124.363 1.065 . . . . 86.65 109.778 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 473' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -85.4 168.82 9.94 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 C-N-CA 120.87 1.047 . . . . 56.97 111.758 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 474' ' ' ILE . . . . . . . . . . . . . 23.3 pt -137.13 151.83 27.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 114.892 -1.049 . . . . 68.86 108.579 168.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 42.6 m -88.49 139.12 30.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.59 -0.732 . . . . 87.2 110.024 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 476' ' ' ILE . . . . . . . . . . . . . 51.3 mt -131.13 130.18 63.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 108.351 -0.981 . . . . 53.85 108.351 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 28.2 tp -103.6 114.47 28.76 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.347 -1.353 . . . . 71.44 107.347 174.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -138.28 -177.64 4.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.502 0.668 . . . . 71.87 109.658 -172.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 45.3 mt -120.79 115.66 47.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 107.381 -1.34 . . . . 70.14 107.381 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 480' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -79.26 -170.32 2.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.678 0.751 . . . . 97.64 109.715 -176.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 64.0 p -71.86 -14.57 61.99 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.691 0.626 . . . . 104.56 112.691 -175.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -101.18 20.34 15.89 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.624 0.602 . . . . 111.82 112.624 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 483' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 57.3 38.18 28.46 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.307 0.575 . . . . 126.74 111.537 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 484' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -112.19 139.63 47.57 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.37 -0.604 . . . . 78.3 109.37 176.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 44.0 t -87.82 115.64 28.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 108.14 -1.059 . . . . 68.3 108.14 177.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 94.5 t -117.05 132.26 67.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 109.098 -0.704 . . . . 61.15 109.098 -172.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 487' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -101.15 105.7 16.88 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.408 -1.33 . . . . 128.96 107.408 171.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -120.29 137.83 54.03 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.906 0.384 . . . . 78.94 110.481 -175.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 489' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -92.16 99.71 12.46 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.159 -1.052 . . . . 100.82 108.159 177.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 490' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -80.0 127.93 32.87 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.891 -0.411 . . . . 85.06 109.891 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -88.13 162.01 16.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 116.19 110.74 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 54.55 54.39 9.36 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.217 -0.901 . . . . 80.98 111.249 176.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 493' ' ' MET . . . . . . . . . . . . . 90.1 mmm -110.82 -30.03 7.72 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 113.836 1.05 . . . . 61.9 113.836 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 494' ' ' VAL . . . . . . . . . . . . . 74.3 t -123.46 126.59 73.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.465 -0.939 . . . . 50.03 108.465 -177.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 495' ' ' VAL . . . . . . . . . . . . . 83.4 t -78.46 124.11 36.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.857 -0.794 . . . . 49.54 108.857 178.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -105.15 -15.95 14.93 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 113.386 0.884 . . . . 76.16 113.386 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 88.0 p -162.71 146.97 11.64 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.796 -0.816 . . . . 67.44 108.796 175.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 76.9 m -114.64 154.22 28.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.5 -0.773 . . . . 58.38 110.152 -179.83 -61.0 -82.42 -80.311 103.968 2.029 103.647 -65.568 -61.73 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -159.59 167.42 35.17 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.454 -1.059 . . . . 54.78 110.454 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 98.4 m -95.55 126.25 40.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.933 -0.634 . . . . 65.1 110.01 -177.853 -65.386 -88.963 -88.892 103.872 2.03 103.244 -68.978 -76.407 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 72.18 111.61 -177.273 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.668 0.271 . . . . 195.85 110.829 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' CYS . . . . . . . . . . . . . 53.1 t -74.96 124.92 27.81 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.237 -0.438 . . . . 191.9 109.901 -178.137 -178.899 61.923 95.151 104.262 2.031 105.127 -96.239 -43.539 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -107.21 50.95 0.75 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.539 -0.3 . . . . 187.6 111.198 -177.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 tp -77.23 -30.76 17.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.024 -0.67 . . . . 178.88 111.131 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -71.28 -22.21 61.99 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.679 -0.638 . . . . 178.5 112.605 179.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -65.27 -26.17 67.97 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.267 -0.573 . . . . 198.42 111.492 179.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 32.7 m -78.86 -21.07 48.08 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.846 0.684 . . . . 232.95 112.846 -179.965 -50.373 -61.758 -78.828 104.126 2.029 104.079 -94.754 -177.175 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -80.35 -6.62 58.27 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.151 0.797 . . . . 201.06 113.151 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.01 -52.52 8.67 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.507 0.594 . . . . 198.96 111.554 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -67.99 -21.01 65.08 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.389 0.514 . . . . 193.39 112.389 -178.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 88.3 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 118.043 0.383 . . . . 176.51 111.13 -179.771 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.808 0.337 . . . . 220.17 110.667 . -47.729 -84.427 -84.196 105.037 2.032 104.243 -58.077 -77.603 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -69.49 -38.78 77.82 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.057 -0.519 . . . . 240.95 111.225 178.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.38 -34.84 78.6 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.421 -0.512 . . . . 275.47 111.206 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.09 -40.05 90.48 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.532 -0.467 . . . . 243.06 111.223 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -66.04 -38.04 87.37 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.235 -0.586 . . . . 204.78 111.361 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . . . -64.75 -42.12 95.4 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.078 -0.649 . . . . 234.31 111.096 176.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -43.65 94.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.649 0.262 . . . . 243.51 111.003 175.65 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.9 96.32 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.72 -0.392 . . . . 222.67 111.348 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.1 tp -64.06 -38.89 92.72 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.406 -0.518 . . . . 223.56 111.228 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' CYS . . . . . . . . . . . . . 46.4 t -65.16 -41.9 94.25 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.36 -0.536 . . . . 276.9 111.157 177.888 -177.175 -94.754 -78.828 104.079 2.029 104.126 -61.758 -50.373 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 36.9 p -64.63 -36.74 85.24 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.259 -0.576 . . . . 257.0 111.224 177.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -63.72 -40.59 97.14 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.188 -0.605 . . . . 205.45 110.962 174.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . . . -67.32 -37.55 83.49 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.658 -0.417 . . . . 196.9 111.531 -178.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' THR . . . . . . . . . . . . . 15.3 t -94.69 12.8 26.5 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.108 0.781 . . . . 195.53 113.108 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.26 -8.29 56.23 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.479 0.918 . . . . 212.25 113.479 -176.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . . . -75.15 -56.53 4.64 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 118.668 0.667 . . . . 214.96 111.285 -175.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 53.2 p -71.06 -18.32 62.56 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.764 0.653 . . . . 212.5 112.764 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' CYS . . . . . . . . . . . . . 7.5 m -90.23 77.16 6.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 122.253 1.025 . . . . 211.49 108.556 -179.398 -43.539 -96.239 95.151 105.127 2.031 104.262 61.923 -178.899 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -66.73 -49.01 67.38 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.329 -0.851 . . . . 186.69 111.017 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -148.28 76.42 0.25 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.555 -0.355 . . . . 172.82 112.804 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -119.2 132.75 55.98 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.015 -0.735 . . . . 187.22 109.015 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.45 -34.39 77.83 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.461 -0.495 . . . . 159.51 111.87 -177.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.25 -34.93 79.25 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.426 -0.51 . . . . 164.48 111.696 -178.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -65.08 -51.48 61.17 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 120.697 -0.401 . . . . 185.85 111.164 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -63.64 -36.79 84.99 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.54 -0.464 . . . . 193.53 111.206 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 21.5 t -65.08 -41.6 94.87 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.298 -0.561 . . . . 182.82 111.209 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.82 -37.36 86.03 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.557 -0.457 . . . . 172.83 111.236 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.98 -44.83 97.98 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 C-N-CA 120.19 -0.604 . . . . 195.37 110.465 176.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -61.92 -38.93 90.28 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.591 -0.444 . . . . 192.91 111.108 177.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -67.13 -40.36 92.74 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 120.141 -1.028 . . . . 221.92 112.809 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.18 -44.25 94.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 O-C-N 122.279 -0.542 . . . . 228.67 110.326 175.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.95 -42.08 97.41 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.13 -0.628 . . . . 247.56 111.379 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -66.34 -35.52 80.56 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.736 -0.386 . . . . 234.29 111.491 -179.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.53 -28.68 56.44 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.146 0.424 . . . . 215.61 112.146 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 73.9 mtp -73.88 -38.19 64.48 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.059 -0.656 . . . . 207.08 111.247 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 58.6 mt -70.01 -35.94 66.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 120.164 -0.615 . . . . 236.55 110.527 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLN . . . . . . . . . . . . . . . -64.61 151.69 44.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.517 0.675 . . . . 248.02 110.981 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 57.21 -109.42 0.48 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.323 -0.853 . . . . 244.7 110.993 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -155.98 102.4 2.16 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.074 -1.084 . . . . 226.22 108.074 -179.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 36.2 m -139.59 164.42 29.96 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.002 -0.74 . . . . 215.01 109.002 174.026 -77.603 -58.077 -84.196 104.243 2.032 105.037 -84.427 -47.729 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.514 -0.767 . . . . 198.49 111.037 179.934 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 stop_ save_