data_6l9b_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 6l9b _Structure_validation_residue.Date_analyzed 2020-08-07 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 ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 111.747 0.277 . . . . 49.729999999999997 111.747 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.8 m -92.8 123.66 36.24 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 110.225 -0.287 . . . . 30.309999999999999 110.225 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -111.15 151.91 27.63 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 124.15 0.98 . . . . 35.32 108.766 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -126.38 143.17 51.27 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.939 -0.573 . . . . 39.030000000000001 109.501 -173.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.9 tp -124.6 127.19 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.644 -0.707 . . . . 22.82 109.715 174.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.1 mt -107.97 113.61 44.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 N-CA-C 107.211 -1.403 . . . . 26.75 107.211 175.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mp -97.14 137.07 36.75 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.54 0.736 . . . . 28.52 110.58 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -130.74 96.75 4.17 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 107.565 -1.272 . . . . 30.68 107.565 171.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.59 -7.71 87.1 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.475 -0.869 . . . . 30.16 113.138 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.65 -42.23 92.33 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.353 -0.385 . . . . 30.469999999999999 111.734 171.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.8 mt -94.47 125.91 39.42 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 109.277 -0.638 . . . . 40.810000000000002 109.277 -176.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -129.75 148.53 51.64 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.606 -0.887 . . . . 36.579999999999998 108.606 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.17 174.97 39.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 119.759 -1.21 . . . . 27.18 111.213 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -136.7 131.98 34.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.388 -0.906 . . . . 41.75 109.004 176.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -124.2 167.48 14.22 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.978 -1.119 . . . . 29.870000000000001 107.978 172.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.0 p -127.73 167.28 16.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.639 0.733 . . . . 24.690000000000001 109.134 174.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -154.14 143.31 21.28 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.206 -1.405 . . . . 31.02 107.206 171.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.45 116.96 29.45 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.63 -1.619 . . . . 45.5 106.63 174.966 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.81 160.06 40.87 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.576 -0.849 . . . . 34.659999999999997 109.827 -175.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.9 m -79.37 -30.11 13.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 114.184 -1.371 . . . . 40.189999999999998 111.411 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -152.47 175.57 12.59 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.74 -0.837 . . . . 38.57 108.74 175.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.19 84.31 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.467 -0.788 . . . . 32.990000000000002 111.503 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.35 86.44 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.899 -0.72 . . . . 29.789999999999999 111.692 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 84.8 m -73.37 -39.99 64.71 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.963 -1.095 . . . . 40.280000000000001 111.102 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.39 94.0 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.06 -1.056 . . . . 27.199999999999999 111.09 171.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -56.75 -46.12 81.61 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 122.013 -0.429 . . . . 30.359999999999999 111.515 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -59.19 -47.86 83.77 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.803 -0.759 . . . . 41.399999999999999 111.093 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.83 -46.67 83.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.455 0.645 . . . . 32.049999999999997 110.377 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -66.9 -34.11 77.07 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 121.987 -0.446 . . . . 27.809999999999999 112.032 -177.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -66.2 -39.92 90.02 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 118.738 -1.185 . . . . 43.880000000000003 110.354 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -75.28 -32.55 61.07 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.497 -0.881 . . . . 50.07 111.793 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -57.68 -52.93 63.4 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 119.83 -0.748 . . . . 48.170000000000002 110.882 171.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.94 -48.26 76.05 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 121.882 -0.511 . . . . 35.950000000000003 111.132 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -62.79 -40.36 97.08 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.332 -0.947 . . . . 61.859999999999999 111.415 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -64.97 -18.06 64.95 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.555 0.576 . . . . 55.0 112.555 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -115.3 27.03 9.64 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.485 0.55 . . . . 49.390000000000001 112.485 -178.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.58 6.23 65.84 Favored Glycine 0 N--CA 1.439 -1.144 0 N-CA-C 116.075 1.19 . . . . 50.0 116.075 167.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -98.91 115.51 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 119.058 1.429 . . . . 45.270000000000003 108.151 174.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -133.97 135.29 43.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.794 -0.817 . . . . 59.329999999999998 108.794 176.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.98 -120.67 0.98 Allowed Glycine 0 C--N 1.333 0.37 0 C-N-CA 118.845 -1.645 . . . . 37.280000000000001 115.541 174.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -96.21 123.68 39.93 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.036 0.934 . . . . 47.539999999999999 111.146 -163.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -106.77 147.88 29.13 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.788 0.835 . . . . 29.280000000000001 112.01 -174.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.1 p -139.92 159.05 43.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.129 -0.941 . . . . 25.93 108.501 172.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -143.14 129.62 20.09 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.041 -0.527 . . . . 27.539999999999999 110.032 174.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -107.08 100.74 10.2 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.003 -1.481 . . . . 28.68 107.003 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.26 -38.16 88.23 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.386 -0.824 . . . . 43.649999999999999 111.366 -173.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.64 -21.8 66.59 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.349 0.87 . . . . 30.84 113.349 -176.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.8 p -124.03 13.26 9.07 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.57 0.623 . . . . 30.199999999999999 112.264 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.8 mttm 48.61 42.97 20.07 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.218 0.607 . . . . 42.950000000000003 111.952 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.5 m -121.88 118.66 29.47 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 121.822 -0.549 . . . . 25.109999999999999 111.567 -173.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -90.83 149.22 22.04 Favored 'General case' 0 C--O 1.23 0.035 0 C-N-CA 124.315 1.046 . . . . 26.309999999999999 111.17 168.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.5 p -127.56 146.21 50.6 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 121.365 0.602 . . . . 26.23 110.509 161.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 p -129.57 133.83 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 106.258 -1.756 . . . . 28.43 106.258 170.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.7 m -129.99 128.36 41.88 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.978 -1.119 . . . . 31.98 107.978 -176.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 123.42 0.688 . . . . 41.719999999999999 111.914 177.238 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 111.747 0.277 . . . . 49.73 111.747 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.8 m -92.8 123.66 36.24 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 110.225 -0.287 . . . . 30.31 110.225 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -111.15 151.91 27.63 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 124.15 0.98 . . . . 35.32 108.766 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -126.38 143.17 51.27 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.939 -0.573 . . . . 39.03 109.501 -173.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.9 tp -124.6 127.19 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.644 -0.707 . . . . 22.82 109.715 174.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.1 mt -107.97 113.61 44.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 N-CA-C 107.211 -1.403 . . . . 26.75 107.211 175.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mp -97.14 137.07 36.75 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.54 0.736 . . . . 28.52 110.58 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -130.74 96.75 4.17 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 107.565 -1.272 . . . . 30.68 107.565 171.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.59 -7.71 87.1 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.475 -0.869 . . . . 30.16 113.138 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.65 -42.23 92.33 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.353 -0.385 . . . . 30.47 111.734 171.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.8 mt -94.47 125.91 39.42 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 109.277 -0.638 . . . . 40.81 109.277 -176.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -129.75 148.53 51.64 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.606 -0.887 . . . . 36.58 108.606 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.17 174.97 39.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 119.759 -1.21 . . . . 27.18 111.213 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -136.7 131.98 34.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.388 -0.906 . . . . 41.75 109.004 176.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -124.2 167.48 14.22 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.978 -1.119 . . . . 29.87 107.978 172.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.0 p -127.73 167.28 16.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.639 0.733 . . . . 24.69 109.134 174.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -154.14 143.31 21.28 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.206 -1.405 . . . . 31.02 107.206 171.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.45 116.96 29.45 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.63 -1.619 . . . . 45.5 106.63 174.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.81 160.06 40.87 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.576 -0.849 . . . . 34.66 109.827 -175.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.9 m -79.37 -30.11 13.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 114.184 -1.371 . . . . 40.19 111.411 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -152.47 175.57 12.59 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.74 -0.837 . . . . 38.57 108.74 175.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.19 84.31 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.467 -0.788 . . . . 32.99 111.503 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.35 86.44 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.899 -0.72 . . . . 29.79 111.692 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 84.8 m -73.37 -39.99 64.71 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.963 -1.095 . . . . 40.28 111.102 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.39 94.0 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.06 -1.056 . . . . 27.2 111.09 171.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -56.75 -46.12 81.61 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 122.013 -0.429 . . . . 30.36 111.515 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -59.19 -47.86 83.77 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.803 -0.759 . . . . 41.4 111.093 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.83 -46.67 83.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.455 0.645 . . . . 32.05 110.377 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -66.9 -34.11 77.07 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 121.987 -0.446 . . . . 27.81 112.032 -177.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -66.2 -39.92 90.02 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 118.738 -1.185 . . . . 43.88 110.354 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -75.28 -32.55 61.07 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.497 -0.881 . . . . 50.07 111.793 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -57.68 -52.93 63.4 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 119.83 -0.748 . . . . 48.17 110.882 171.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.94 -48.26 76.05 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 121.882 -0.511 . . . . 35.95 111.132 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -62.79 -40.36 97.08 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.332 -0.947 . . . . 61.86 111.415 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -64.97 -18.06 64.95 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.555 0.576 . . . . 55.0 112.555 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -115.3 27.03 9.64 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.485 0.55 . . . . 49.39 112.485 -178.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.58 6.23 65.84 Favored Glycine 0 N--CA 1.439 -1.144 0 N-CA-C 116.075 1.19 . . . . 50.0 116.075 167.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -98.91 115.51 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 119.058 1.429 . . . . 45.27 108.151 174.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -133.97 135.29 43.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.794 -0.817 . . . . 59.33 108.794 176.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.98 -120.67 0.98 Allowed Glycine 0 C--N 1.333 0.37 0 C-N-CA 118.845 -1.645 . . . . 37.28 115.541 174.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -96.21 123.68 39.93 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.036 0.934 . . . . 47.54 111.146 -163.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -106.77 147.88 29.13 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.788 0.835 . . . . 29.28 112.01 -174.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.1 p -139.92 159.05 43.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.129 -0.941 . . . . 25.93 108.501 172.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -143.14 129.62 20.09 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.041 -0.527 . . . . 27.54 110.032 174.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -107.08 100.74 10.2 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.003 -1.481 . . . . 28.68 107.003 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.26 -38.16 88.23 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.386 -0.824 . . . . 43.65 111.366 -173.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.64 -21.8 66.59 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.349 0.87 . . . . 30.84 113.349 -176.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.8 p -124.03 13.26 9.07 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.57 0.623 . . . . 30.2 112.264 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.8 mttm 48.61 42.97 20.07 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.218 0.607 . . . . 42.95 111.952 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.5 m -121.88 118.66 29.47 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 121.822 -0.549 . . . . 25.11 111.567 -173.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -90.83 149.22 22.04 Favored 'General case' 0 C--O 1.23 0.035 0 C-N-CA 124.315 1.046 . . . . 26.31 111.17 168.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.5 p -127.56 146.21 50.6 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 121.365 0.602 . . . . 26.23 110.509 161.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 p -129.57 133.83 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 106.258 -1.756 . . . . 28.43 106.258 170.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.7 m -129.99 128.36 41.88 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.978 -1.119 . . . . 31.98 107.978 -176.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 123.42 0.688 . . . . 41.72 111.914 177.238 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 111.747 0.277 . . . . 49.73 111.747 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.8 m -92.8 123.66 36.24 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 110.225 -0.287 . . . . 30.31 110.225 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -111.15 151.91 27.63 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 124.15 0.98 . . . . 35.32 108.766 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -126.38 143.17 51.27 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.939 -0.573 . . . . 39.03 109.501 -173.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.9 tp -124.6 127.19 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.644 -0.707 . . . . 22.82 109.715 174.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.1 mt -107.97 113.61 44.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 N-CA-C 107.211 -1.403 . . . . 26.75 107.211 175.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mp -97.14 137.07 36.75 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.54 0.736 . . . . 28.52 110.58 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -130.74 96.75 4.17 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 107.565 -1.272 . . . . 30.68 107.565 171.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.59 -7.71 87.1 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.475 -0.869 . . . . 30.16 113.138 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.65 -42.23 92.33 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.353 -0.385 . . . . 30.47 111.734 171.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.8 mt -94.47 125.91 39.42 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 109.277 -0.638 . . . . 40.81 109.277 -176.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -129.75 148.53 51.64 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.606 -0.887 . . . . 36.58 108.606 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.17 174.97 39.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 119.759 -1.21 . . . . 27.18 111.213 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -136.7 131.98 34.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.388 -0.906 . . . . 41.75 109.004 176.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -124.2 167.48 14.22 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.978 -1.119 . . . . 29.87 107.978 172.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.0 p -127.73 167.28 16.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.639 0.733 . . . . 24.69 109.134 174.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -154.14 143.31 21.28 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.206 -1.405 . . . . 31.02 107.206 171.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.45 116.96 29.45 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.63 -1.619 . . . . 45.5 106.63 174.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.81 160.06 40.87 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.576 -0.849 . . . . 34.66 109.827 -175.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.9 m -79.37 -30.11 13.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 114.184 -1.371 . . . . 40.19 111.411 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -152.47 175.57 12.59 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.74 -0.837 . . . . 38.57 108.74 175.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.19 84.31 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.467 -0.788 . . . . 32.99 111.503 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.35 86.44 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.899 -0.72 . . . . 29.79 111.692 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 84.8 m -73.37 -39.99 64.71 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.963 -1.095 . . . . 40.28 111.102 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.39 94.0 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.06 -1.056 . . . . 27.2 111.09 171.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -56.75 -46.12 81.61 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 122.013 -0.429 . . . . 30.36 111.515 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -59.19 -47.86 83.77 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.803 -0.759 . . . . 41.4 111.093 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.83 -46.67 83.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.455 0.645 . . . . 32.05 110.377 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -66.9 -34.11 77.07 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 121.987 -0.446 . . . . 27.81 112.032 -177.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -66.2 -39.92 90.02 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 118.738 -1.185 . . . . 43.88 110.354 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -75.28 -32.55 61.07 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.497 -0.881 . . . . 50.07 111.793 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -57.68 -52.93 63.4 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 119.83 -0.748 . . . . 48.17 110.882 171.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.94 -48.26 76.05 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 121.882 -0.511 . . . . 35.95 111.132 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -62.79 -40.36 97.08 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.332 -0.947 . . . . 61.86 111.415 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -64.97 -18.06 64.95 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.555 0.576 . . . . 55.0 112.555 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -115.3 27.03 9.64 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.485 0.55 . . . . 49.39 112.485 -178.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.58 6.23 65.84 Favored Glycine 0 N--CA 1.439 -1.144 0 N-CA-C 116.075 1.19 . . . . 50.0 116.075 167.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -98.91 115.51 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 119.058 1.429 . . . . 45.27 108.151 174.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -133.97 135.29 43.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 108.794 -0.817 . . . . 59.33 108.794 176.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.98 -120.67 0.98 Allowed Glycine 0 C--N 1.333 0.37 0 C-N-CA 118.845 -1.645 . . . . 37.28 115.541 174.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -96.21 123.68 39.93 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.036 0.934 . . . . 47.54 111.146 -163.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -106.77 147.88 29.13 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.788 0.835 . . . . 29.28 112.01 -174.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.1 p -139.92 159.05 43.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.129 -0.941 . . . . 25.93 108.501 172.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -143.14 129.62 20.09 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.041 -0.527 . . . . 27.54 110.032 174.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -107.08 100.74 10.2 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 107.003 -1.481 . . . . 28.68 107.003 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.26 -38.16 88.23 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.386 -0.824 . . . . 43.65 111.366 -173.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.64 -21.8 66.59 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.349 0.87 . . . . 30.84 113.349 -176.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.8 p -124.03 13.26 9.07 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.57 0.623 . . . . 30.2 112.264 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.8 mttm 48.61 42.97 20.07 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.218 0.607 . . . . 42.95 111.952 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.5 m -121.88 118.66 29.47 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 121.822 -0.549 . . . . 25.11 111.567 -173.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -90.83 149.22 22.04 Favored 'General case' 0 C--O 1.23 0.035 0 C-N-CA 124.315 1.046 . . . . 26.31 111.17 168.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.5 p -127.56 146.21 50.6 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 121.365 0.602 . . . . 26.23 110.509 161.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 p -129.57 133.83 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 106.258 -1.756 . . . . 28.43 106.258 170.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.7 m -129.99 128.36 41.88 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.978 -1.119 . . . . 31.98 107.978 -176.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 123.42 0.688 . . . . 41.72 111.914 177.238 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_