data_6l9d_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 6l9d _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 . . . . . . . . . . . . . 66.1 m-20 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.773 0.32 . . . . 46.310000000000002 110.833 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . 0.43 ' OG1' ' OE2' ' A' ' 19' ' ' GLU . 51.7 m -99.81 126.63 45.94 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.256 -0.646 . . . . 29.73 109.256 173.19 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -107.56 149.44 28.01 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.927 0.891 . . . . 23.460000000000001 108.78 175.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -119.26 145.43 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.846 -0.798 . . . . 33.670000000000002 108.846 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 tp -121.6 128.34 51.84 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.391 -0.596 . . . . 17.829999999999998 109.391 171.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.4 mt -103.99 114.75 44.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 106.731 -1.581 . . . . 23.219999999999999 106.731 168.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 tt -101.99 129.53 48.31 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.489 -0.93 . . . . 25.390000000000001 108.489 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -122.3 101.93 7.81 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.536 -0.913 . . . . 21.539999999999999 108.536 177.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.09 5.6 59.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 21.390000000000001 112.775 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.9 p -66.33 -28.93 69.05 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.44 0.162 . . . . 19.300000000000001 110.929 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mt -98.64 129.43 45.14 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.733 -0.469 . . . . 36.229999999999997 109.733 -178.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -132.23 137.72 47.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.186 -0.672 . . . . 25.59 109.186 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.76 149.71 17.32 Favored Glycine 0 C--O 1.224 -0.499 0 N-CA-C 111.335 -0.706 . . . . 20.190000000000001 111.335 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -133.04 119.7 20.37 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 107.231 -1.396 . . . . 35.939999999999998 107.231 168.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -135.17 171.71 14.05 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.188 -1.042 . . . . 19.48 108.188 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -136.97 165.99 24.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.788 0.804 . . . . 19.649999999999999 108.878 176.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.3 t -150.98 145.23 25.42 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.398 -1.334 . . . . 29.390000000000001 107.398 171.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' OE2' ' OG1' ' A' ' 2' ' ' THR . 5.4 mp0 -89.75 132.37 35.24 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 106.912 -1.514 . . . . 38.460000000000001 106.912 169.202 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.64 154.19 40.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.824 -1.176 . . . . 29.66 107.824 -178.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . 0.622 ' N ' ' O ' ' A' ' 103' ' ' HOH . 9.5 p -75.87 -18.68 15.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 119.639 -0.825 . . . . 41.170000000000002 111.441 178.23 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -159.98 171.72 18.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.865 -0.791 . . . . 29.949999999999999 108.865 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.48 -34.76 76.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.964 -1.016 . . . . 19.260000000000002 111.504 -174.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.35 94.15 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.251 -0.58 . . . . 19.149999999999999 111.545 -178.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.8 m -69.31 -44.13 72.38 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.186 -0.606 . . . . 24.780000000000001 111.097 178.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.21 -43.49 78.58 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.691 -0.404 . . . . 17.829999999999998 111.245 174.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -57.79 -45.52 85.93 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.575 -0.284 . . . . 23.780000000000001 111.407 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -64.44 -44.01 92.48 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.153 -1.019 . . . . 36.259999999999998 110.797 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.35 -43.07 92.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 C-N-CA 120.515 -0.474 . . . . 23.969999999999999 110.192 177.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.5 m-30 -67.19 -34.05 76.7 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 112.096 0.406 . . . . 20.699999999999999 112.096 179.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . 0.682 ' NZ ' ' O ' ' A' ' 102' ' ' HOH . 52.3 tptt -60.43 -40.17 90.11 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.438 -0.505 . . . . 40.549999999999997 111.103 176.736 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . 0.537 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 13.0 tm0? -75.5 -35.36 60.8 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.082 -0.647 . . . . 47.390000000000001 110.546 -177.411 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -56.51 -45.66 80.93 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 122.078 -0.389 . . . . 27.870000000000001 111.342 170.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.83 -48.45 76.75 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 121.91 -0.494 . . . . 31.050000000000001 111.495 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -75.03 -25.22 58.58 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 118.091 -1.444 . . . . 44.899999999999999 112.276 -175.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . 0.537 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 22.3 m-20 -61.06 -24.63 66.35 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.379 -0.528 . . . . 48.280000000000001 112.199 171.583 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -106.46 19.39 20.58 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.786 0.434 . . . . 39.789999999999999 111.81 179.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.31 25.37 74.7 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 114.351 0.5 . . . . 39.799999999999997 114.351 173.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.3 t -110.73 107.07 22.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 107.91 -1.145 . . . . 40.57 107.91 178.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -119.41 131.19 55.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.131 -1.433 . . . . 56.18 107.131 171.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.81 -139.25 4.36 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 118.189 -1.958 . . . . 31.440000000000001 116.702 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -91.74 128.73 37.69 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 123.52 0.728 . . . . 33.829999999999998 110.379 -170.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -110.43 144.22 39.55 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 122.93 0.492 . . . . 19.710000000000001 111.162 -176.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.2 p -132.85 159.81 38.77 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.32 -0.992 . . . . 13.369999999999999 108.32 170.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -142.85 134.62 26.75 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.858 -0.61 . . . . 19.170000000000002 109.758 173.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -117.05 104.23 11.04 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.981 -1.118 . . . . 18.190000000000001 107.981 177.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -70.73 -21.6 62.53 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 117.817 -1.553 . . . . 39.659999999999997 112.403 -176.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.98 -29.48 69.33 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.033 0.382 . . . . 21.920000000000002 112.033 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.0 p -118.65 8.32 11.9 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 113.169 0.803 . . . . 20.460000000000001 113.169 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 50.09 45.48 25.45 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.722 0.772 . . . . 40.030000000000001 111.194 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -122.57 119.9 32.2 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.857 -0.61 . . . . 16.199999999999999 111.02 -173.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -92.5 150.47 20.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.376 0.67 . . . . 17.489999999999998 110.008 168.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.5 p -127.59 147.69 50.35 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.502 -0.555 . . . . 15.029999999999999 109.502 161.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 p -131.35 131.94 63.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 107.813 -1.18 . . . . 17.079999999999998 107.813 170.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 84.2 m -129.97 127.74 40.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.981 -0.748 . . . . 19.670000000000002 108.981 -173.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 123.529 0.518 . . . . 43.340000000000003 110.561 179.285 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . 0.682 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . 0.622 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.773 0.32 . . . . 46.31 110.833 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 51.7 m -99.81 126.63 45.94 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.256 -0.646 . . . . 29.73 109.256 173.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -107.56 149.44 28.01 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.927 0.891 . . . . 23.46 108.78 175.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -119.26 145.43 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.846 -0.798 . . . . 33.67 108.846 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 tp -121.6 128.34 51.84 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.391 -0.596 . . . . 17.83 109.391 171.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.4 mt -103.99 114.75 44.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 106.731 -1.581 . . . . 23.22 106.731 168.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . 0.855 HD21 HG21 ' A' ' 39' ' ' VAL . 10.2 tt -101.99 129.53 48.31 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.489 -0.93 . . . . 25.39 108.489 -179.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -122.3 101.93 7.81 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.536 -0.913 . . . . 21.54 108.536 177.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.09 5.6 59.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 21.39 112.775 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.9 p -66.33 -28.93 69.05 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.44 0.162 . . . . 19.3 110.929 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mt -98.64 129.43 45.14 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.733 -0.469 . . . . 36.23 109.733 -178.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -132.23 137.72 47.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.186 -0.672 . . . . 25.59 109.186 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.76 149.71 17.32 Favored Glycine 0 C--O 1.224 -0.499 0 N-CA-C 111.335 -0.706 . . . . 20.19 111.335 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -133.04 119.7 20.37 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 107.231 -1.396 . . . . 35.94 107.231 168.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -135.17 171.71 14.05 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.188 -1.042 . . . . 19.48 108.188 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -136.97 165.99 24.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.788 0.804 . . . . 19.65 108.878 176.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . 0.448 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 11.3 t -150.98 145.23 25.42 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.398 -1.334 . . . . 29.39 107.398 171.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -89.75 132.37 35.24 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 106.912 -1.514 . . . . 38.46 106.912 169.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.64 154.19 40.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.824 -1.176 . . . . 29.66 107.824 -178.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 103' ' ' HOH . 9.5 p -75.87 -18.68 15.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 119.639 -0.825 . . . . 41.17 111.441 178.23 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -159.98 171.72 18.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.865 -0.791 . . . . 29.95 108.865 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.48 -34.76 76.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.964 -1.016 . . . . 19.26 111.504 -174.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.35 94.15 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.251 -0.58 . . . . 19.15 111.545 -178.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.8 m -69.31 -44.13 72.38 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.186 -0.606 . . . . 24.78 111.097 178.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.21 -43.49 78.58 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.691 -0.404 . . . . 17.83 111.245 174.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -57.79 -45.52 85.93 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.575 -0.284 . . . . 23.78 111.407 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -64.44 -44.01 92.48 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.153 -1.019 . . . . 36.26 110.797 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.35 -43.07 92.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 C-N-CA 120.515 -0.474 . . . . 23.97 110.192 177.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . 0.448 ' CZ ' HG22 ' A' ' 18' ' ' THR . 9.5 m-30 -67.19 -34.05 76.7 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 112.096 0.406 . . . . 20.7 112.096 179.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . 0.682 ' NZ ' ' O ' ' A' ' 102' ' ' HOH . 52.3 tptt -60.43 -40.17 90.11 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.438 -0.505 . . . . 40.55 111.103 176.736 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -75.5 -35.36 60.8 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.082 -0.647 . . . . 47.39 110.546 -177.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -56.51 -45.66 80.93 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 122.078 -0.389 . . . . 27.87 111.342 170.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.83 -48.45 76.75 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 121.91 -0.494 . . . . 31.05 111.495 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -75.03 -25.22 58.58 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 118.091 -1.444 . . . . 44.9 112.276 -175.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -61.06 -24.63 66.35 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.379 -0.528 . . . . 48.28 112.199 171.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -106.46 19.39 20.58 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.786 0.434 . . . . 39.79 111.81 179.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.31 25.37 74.7 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 114.351 0.5 . . . . 39.8 114.351 173.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . 0.855 HG21 HD21 ' A' ' 7' ' ' LEU . 54.3 t -110.73 107.07 22.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 107.91 -1.145 . . . . 40.57 107.91 178.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -119.41 131.19 55.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.131 -1.433 . . . . 56.18 107.131 171.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.81 -139.25 4.36 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 118.189 -1.958 . . . . 31.44 116.702 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -91.74 128.73 37.69 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 123.52 0.728 . . . . 33.83 110.379 -170.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -110.43 144.22 39.55 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 122.93 0.492 . . . . 19.71 111.162 -176.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.2 p -132.85 159.81 38.77 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.32 -0.992 . . . . 13.37 108.32 170.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -142.85 134.62 26.75 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.858 -0.61 . . . . 19.17 109.758 173.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -117.05 104.23 11.04 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.981 -1.118 . . . . 18.19 107.981 177.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -70.73 -21.6 62.53 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 117.817 -1.553 . . . . 39.66 112.403 -176.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.98 -29.48 69.33 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.033 0.382 . . . . 21.92 112.033 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.0 p -118.65 8.32 11.9 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 113.169 0.803 . . . . 20.46 113.169 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 50.09 45.48 25.45 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.722 0.772 . . . . 40.03 111.194 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -122.57 119.9 32.2 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.857 -0.61 . . . . 16.2 111.02 -173.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -92.5 150.47 20.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.376 0.67 . . . . 17.49 110.008 168.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.5 p -127.59 147.69 50.35 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.502 -0.555 . . . . 15.03 109.502 161.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 p -131.35 131.94 63.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 107.813 -1.18 . . . . 17.08 107.813 170.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 84.2 m -129.97 127.74 40.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.981 -0.748 . . . . 19.67 108.981 -173.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 123.529 0.518 . . . . 43.34 110.561 179.285 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . 0.682 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . 0.524 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.773 0.32 . . . . 46.31 110.833 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 51.7 m -99.81 126.63 45.94 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.256 -0.646 . . . . 29.73 109.256 173.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -107.56 149.44 28.01 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.927 0.891 . . . . 23.46 108.78 175.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -119.26 145.43 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.846 -0.798 . . . . 33.67 108.846 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 tp -121.6 128.34 51.84 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.391 -0.596 . . . . 17.83 109.391 171.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.4 mt -103.99 114.75 44.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 106.731 -1.581 . . . . 23.22 106.731 168.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.855 HD21 HG21 ' A' ' 39' ' ' VAL . 10.2 tt -101.99 129.53 48.31 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.489 -0.93 . . . . 25.39 108.489 -179.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -122.3 101.93 7.81 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.536 -0.913 . . . . 21.54 108.536 177.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.09 5.6 59.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 21.39 112.775 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.9 p -66.33 -28.93 69.05 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.44 0.162 . . . . 19.3 110.929 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mt -98.64 129.43 45.14 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.733 -0.469 . . . . 36.23 109.733 -178.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -132.23 137.72 47.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.186 -0.672 . . . . 25.59 109.186 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.76 149.71 17.32 Favored Glycine 0 C--O 1.224 -0.499 0 N-CA-C 111.335 -0.706 . . . . 20.19 111.335 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -133.04 119.7 20.37 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 107.231 -1.396 . . . . 35.94 107.231 168.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -135.17 171.71 14.05 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.188 -1.042 . . . . 19.48 108.188 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -136.97 165.99 24.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.788 0.804 . . . . 19.65 108.878 176.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . 0.448 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 11.3 t -150.98 145.23 25.42 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.398 -1.334 . . . . 29.39 107.398 171.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -89.75 132.37 35.24 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 106.912 -1.514 . . . . 38.46 106.912 169.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.64 154.19 40.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.824 -1.176 . . . . 29.66 107.824 -178.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 103' ' ' HOH . 9.5 p -75.87 -18.68 15.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 119.639 -0.825 . . . . 41.17 111.441 178.23 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -159.98 171.72 18.84 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.865 -0.791 . . . . 29.95 108.865 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.48 -34.76 76.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.964 -1.016 . . . . 19.26 111.504 -174.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.35 94.15 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.251 -0.58 . . . . 19.15 111.545 -178.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.8 m -69.31 -44.13 72.38 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.186 -0.606 . . . . 24.78 111.097 178.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.21 -43.49 78.58 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.691 -0.404 . . . . 17.83 111.245 174.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -57.79 -45.52 85.93 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.575 -0.284 . . . . 23.78 111.407 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -64.44 -44.01 92.48 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.153 -1.019 . . . . 36.26 110.797 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.35 -43.07 92.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 C-N-CA 120.515 -0.474 . . . . 23.97 110.192 177.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.448 ' CZ ' HG22 ' A' ' 18' ' ' THR . 9.5 m-30 -67.19 -34.05 76.7 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 112.096 0.406 . . . . 20.7 112.096 179.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.682 ' NZ ' ' O ' ' A' ' 102' ' ' HOH . 52.3 tptt -60.43 -40.17 90.11 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.438 -0.505 . . . . 40.55 111.103 176.736 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.537 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 13.0 tm0? -75.5 -35.36 60.8 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.082 -0.647 . . . . 47.39 110.546 -177.411 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -56.51 -45.66 80.93 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 122.078 -0.389 . . . . 27.87 111.342 170.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.83 -48.45 76.75 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 121.91 -0.494 . . . . 31.05 111.495 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -75.03 -25.22 58.58 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 118.091 -1.444 . . . . 44.9 112.276 -175.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.537 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 22.3 m-20 -61.06 -24.63 66.35 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.379 -0.528 . . . . 48.28 112.199 171.583 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -106.46 19.39 20.58 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.786 0.434 . . . . 39.79 111.81 179.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.31 25.37 74.7 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 114.351 0.5 . . . . 39.8 114.351 173.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.855 HG21 HD21 ' A' ' 7' ' ' LEU . 54.3 t -110.73 107.07 22.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 107.91 -1.145 . . . . 40.57 107.91 178.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -119.41 131.19 55.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.131 -1.433 . . . . 56.18 107.131 171.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.81 -139.25 4.36 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 118.189 -1.958 . . . . 31.44 116.702 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -91.74 128.73 37.69 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 123.52 0.728 . . . . 33.83 110.379 -170.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -110.43 144.22 39.55 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 122.93 0.492 . . . . 19.71 111.162 -176.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.2 p -132.85 159.81 38.77 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.32 -0.992 . . . . 13.37 108.32 170.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -142.85 134.62 26.75 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.858 -0.61 . . . . 19.17 109.758 173.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -117.05 104.23 11.04 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.981 -1.118 . . . . 18.19 107.981 177.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -70.73 -21.6 62.53 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 117.817 -1.553 . . . . 39.66 112.403 -176.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.98 -29.48 69.33 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.033 0.382 . . . . 21.92 112.033 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.0 p -118.65 8.32 11.9 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 113.169 0.803 . . . . 20.46 113.169 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 50.09 45.48 25.45 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.722 0.772 . . . . 40.03 111.194 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -122.57 119.9 32.2 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.857 -0.61 . . . . 16.2 111.02 -173.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -92.5 150.47 20.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.376 0.67 . . . . 17.49 110.008 168.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.5 p -127.59 147.69 50.35 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.502 -0.555 . . . . 15.03 109.502 161.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 p -131.35 131.94 63.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 107.813 -1.18 . . . . 17.08 107.813 170.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 84.2 m -129.97 127.74 40.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.981 -0.748 . . . . 19.67 108.981 -173.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 123.529 0.518 . . . . 43.34 110.561 179.285 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . 0.682 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . 0.524 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_