data_5vf1_residue 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 5vf1 _Structure_validation_residue.Date_analyzed 2017-06-16 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' ' ' ORN . . . . . 0.464 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -125.33 137.16 54.05 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.628 1.714 . . . . 79.140000000000001 115.628 -155.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.0 tp -92.57 119.57 32.16 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.223 -0.899 . . . . 45.960000000000001 109.196 165.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 m -125.51 161.69 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-O 122.063 0.935 . . . . 52.219999999999999 110.572 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.65 141.63 50.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.985 -1.117 . . . . 77.030000000000001 107.985 177.705 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.26 146.04 31.52 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.971 -0.692 . . . . 49.030000000000001 109.425 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.483 -0.781 . . . . 60.369999999999997 109.355 175.003 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -132.36 153.12 51.09 Favored 'General case' 0 C--N 1.375 1.705 0 N-CA-C 113.286 0.847 . . . . 67.930000000000007 113.286 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.78 147.18 42.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.947 -0.57 . . . . 48.689999999999998 110.053 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PHE . . . . . 0.417 ' HA ' ' HC1' ' A' ' 13' ' ' MEA . 32.3 m-85 -148.35 151.14 34.83 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.447 -0.797 . . . . 66.090000000000003 110.525 179.059 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MEA . . . . . 0.428 ' HB2' ' HC2' ' A' ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.06 140.48 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.556 -0.905 . . . . 56.43 108.556 -176.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -100.71 121.77 42.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.658 -1.238 . . . . 48.880000000000003 107.658 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 1' ' ' ORN . 88.4 tttt . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 107.824 -1.176 . . . . 88.980000000000004 107.824 179.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ORN . . . . . 0.403 ' HB2' ' O ' ' B' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -106.48 136.6 45.97 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.333 0.97 . . . . 78.579999999999998 112.962 -155.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -91.42 113.08 25.25 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.26 -1.385 . . . . 50.909999999999997 107.26 174.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 m -119.41 143.1 31.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 CA-C-O 122.258 1.028 . . . . 53.079999999999998 111.285 -171.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PHI . . . . . 0.696 ' I ' ' O ' ' B' ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -140.84 139.0 34.41 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.993 -0.549 . . . . 61.579999999999998 109.913 -172.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.36 136.97 31.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.677 -0.49 . . . . 80.709999999999994 109.677 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 8' ' ' GLU . 20.2 pt-20 . . . . . 0 N--CA 1.467 0.395 0 O-C-N 123.923 0.764 . . . . 132.99000000000001 110.87 173.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -150.3 133.98 16.66 Favored 'General case' 0 C--N 1.373 1.627 0 O-C-N 121.678 -0.639 . . . . 103.29000000000001 112.426 -179.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -123.59 145.06 49.19 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.679 -0.691 . . . . 74.650000000000006 110.651 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -146.73 152.89 39.56 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.284 -0.871 . . . . 65.219999999999999 111.129 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -121.65 140.45 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-O 121.85 0.833 . . . . 46.579999999999998 109.53 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.9 tp -86.91 115.63 24.43 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.887 -1.153 . . . . 53.460000000000001 107.887 176.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' B' ' 1' ' ' ORN . 50.0 mttt . . . . . 0 CA--C 1.515 -0.398 0 N-CA-C 106.757 -1.572 . . . . 84.359999999999999 106.757 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -142.62 138.62 30.85 Favored 'General case' 0 C--N 1.328 -0.344 1 CA-C-N 106.423 -4.898 . . . . 97.390000000000001 112.043 -139.747 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 18.6 tp -95.56 117.94 31.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.169 -1.048 . . . . 49.259999999999998 108.169 173.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -122.86 148.59 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 121.898 0.856 . . . . 52.060000000000002 109.614 179.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -114.82 140.95 48.52 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 125.248 1.419 . . . . 81.25 112.009 172.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.26 139.69 32.01 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.854 0.835 . . . . 41.539999999999999 110.376 173.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 . . . . . 0 N--CA 1.441 -0.924 0 CA-C-N 114.497 -1.229 . . . . 73.480000000000004 107.848 -177.678 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -137.08 158.72 43.82 Favored 'General case' 0 C--N 1.366 1.288 0 CA-C-O 122.052 0.929 . . . . 86.379999999999995 111.401 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.82 155.36 46.83 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 113.942 -1.481 . . . . 48.020000000000003 107.994 -176.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -146.26 142.57 28.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.981 -1.009 . . . . 103.54000000000001 108.752 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' MEA . . . . . 0.423 ' HC3' ' CD1' ' C' ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 t -97.56 129.51 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.148 -0.478 . . . . 47.329999999999998 110.336 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 59.1 tp -107.77 96.21 6.23 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.395 -0.965 . . . . 63.75 108.395 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? . . . . . 0 CA--C 1.537 0.477 0 CA-C-O 121.039 0.447 . . . . 116.58 110.449 173.053 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -106.3 139.23 41.12 Favored 'General case' 0 CA--C 1.54 0.566 1 CA-C-N 101.478 -7.146 . . . . 85.670000000000002 111.501 -156.674 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' LEU . . . . . 0.506 ' O ' ' O ' ' D' ' 101' ' ' HOH . 5.8 mt -87.11 116.79 25.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.084 -0.709 . . . . 63.420000000000002 109.084 171.537 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 m -117.6 154.68 19.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.379 0.609 . . . . 60.270000000000003 110.315 -179.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -143.36 162.83 34.7 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 118.122 -1.431 . . . . 64.810000000000002 112.011 165.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.76 138.32 4.94 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 114.764 -1.107 . . . . 54.219999999999999 109.516 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 105.105 -2.183 . . . . 85.769999999999996 105.105 161.367 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -79.91 142.69 34.91 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 115.827 -0.624 . . . . 75.069999999999993 109.791 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.53 132.09 56.59 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.036 0.934 . . . . 65.950000000000003 108.805 176.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -117.65 114.11 22.89 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 118.781 -0.628 . . . . 85.140000000000001 109.4 -178.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 64.0 t -109.66 134.77 50.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.94 -1.027 . . . . 55.130000000000003 113.725 -169.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 tp -97.61 154.94 17.21 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.848 0.859 . . . . 63.859999999999999 109.344 165.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' D' ' 102' ' ' HOH . 8.1 mmtt . . . . . 0 C--N 1.322 -0.608 0 C-N-CA 120.114 -0.634 . . . . 110.56 110.457 169.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 1' ' ' ORN . . . . . 0.411 ' HD3' ' CE2' ' F' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -68.48 111.39 4.67 Favored 'General case' 0 C--N 1.326 -0.448 2 CA-C-N 102.98 -6.464 . . . . 71.079999999999998 111.55 -174.996 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' LEU . . . . . . . . . . . . . 43.2 tp -107.82 133.09 52.69 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 121.861 -0.524 . . . . 54.060000000000002 109.812 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 59.2 t -125.95 114.38 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 108.657 -0.868 . . . . 55.390000000000001 108.657 170.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -101.11 137.23 39.74 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 109.316 -0.624 . . . . 59.840000000000003 109.316 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.18 142.46 30.55 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.228 0.537 . . . . 45.0 109.797 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.442 -0.861 0 N-CA-C 104.224 -2.51 . . . . 80.620000000000005 104.224 173.707 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -61.51 136.99 58.22 Favored 'General case' 0 C--N 1.372 1.57 0 N-CA-C 114.529 1.307 . . . . 74.349999999999994 114.529 -176.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.51 141.67 37.3 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.368 -0.605 . . . . 53.689999999999998 109.368 -178.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' PHE . . . . . 0.426 ' HA ' ' HC2' ' E' ' 13' ' ' MEA . 31.2 t80 -148.0 132.47 17.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.329 -1.36 . . . . 57.619999999999997 107.329 -172.885 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' MEA . . . . . 0.475 ' HC3' ' CG ' ' E' ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.5 132.56 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 112.362 -2.199 . . . . 55.590000000000003 106.414 172.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 19.8 tp -124.97 119.3 28.36 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.377 -1.342 . . . . 60.490000000000002 107.377 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mttp . . . . . 0 N--CA 1.471 0.575 0 O-C-N 124.133 0.895 . . . . 85.180000000000007 111.897 178.825 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -105.08 131.89 52.0 Favored 'General case' 0 C--N 1.325 -0.482 2 CA-C-N 104.838 -5.619 . . . . 91.950000000000003 110.527 -136.857 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 3' ' ' LEU . . . . . . . . . . . . . 12.1 tp -121.0 131.97 54.62 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.223 -0.899 . . . . 64.709999999999994 109.412 -177.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -122.39 117.54 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.574 -0.898 . . . . 44.170000000000002 108.574 169.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -94.76 146.49 24.14 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.117 0.871 . . . . 59.950000000000003 110.757 177.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -151.56 149.28 29.0 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 119.51 -0.876 . . . . 46.200000000000003 110.36 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 8' ' ' GLU . . . . . 0.872 ' OE2' ' O ' ' F' ' 101' ' ' HOH . 72.8 tt0 . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 114.949 -1.023 . . . . 77.409999999999997 108.701 173.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -71.81 140.18 49.29 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 115.213 -0.903 . . . . 73.260000000000005 109.143 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.3 150.04 44.95 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.629 -0.714 . . . . 48.25 109.485 -176.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 12' ' ' PHE . . . . . 0.424 ' HA ' ' HC3' ' F' ' 13' ' ' MEA . 48.0 t80 -147.45 135.7 21.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.443 -1.688 . . . . 51.090000000000003 106.443 -179.153 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 13' ' ' MEA . . . . . 0.502 ' CG ' ' HC2' ' F' ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.87 124.36 72.17 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 113.966 -1.47 . . . . 52.560000000000002 108.108 168.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 35.8 tp -118.66 123.09 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.519 -0.919 . . . . 54.840000000000003 108.519 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 mttt . . . . . 0 N--CA 1.47 0.525 0 N-CA-C 109.63 -0.507 . . . . 65.140000000000001 109.63 176.363 . . . . . . . . 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . 0.696 ' O ' ' I ' ' B' ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . 0.506 ' O ' ' O ' ' D' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' HOH . . . . . 0.42 ' O ' ' NZ ' ' D' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 101' ' ' HOH . . . . . 0.872 ' O ' ' OE2' ' F' ' 8' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -125.33 137.16 54.05 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.628 1.714 . . . . 65.950000000000003 115.628 -155.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.0 tp -92.57 119.57 32.16 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.223 -0.899 . . . . 38.299999999999997 109.196 165.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 m -125.51 161.69 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-O 122.063 0.935 . . . . 43.509999999999998 110.572 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.65 141.63 50.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.985 -1.117 . . . . 64.189999999999998 107.985 177.705 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.26 146.04 31.52 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.971 -0.692 . . . . 40.859999999999999 109.425 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.483 -0.781 . . . . 60.369999999999997 109.355 175.003 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -132.36 153.12 51.09 Favored 'General case' 0 C--N 1.375 1.705 0 N-CA-C 113.286 0.847 . . . . 67.930000000000007 113.286 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.78 147.18 42.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.947 -0.57 . . . . 40.579999999999998 110.053 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -148.35 151.14 34.83 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.447 -0.797 . . . . 55.07 110.525 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.06 140.48 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.556 -0.905 . . . . 47.030000000000001 108.556 -176.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -100.71 121.77 42.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.658 -1.238 . . . . 40.729999999999997 107.658 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 107.824 -1.176 . . . . 74.150000000000006 107.824 179.947 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -106.48 136.6 45.97 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.333 0.97 . . . . 65.480000000000004 112.962 -155.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -91.42 113.08 25.25 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.26 -1.385 . . . . 42.420000000000002 107.26 174.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 m -119.41 143.1 31.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 CA-C-O 122.258 1.028 . . . . 44.229999999999997 111.285 -171.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PHI . . . . . 0.696 ' I ' ' O ' ' B' ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -140.84 139.0 34.41 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.993 -0.549 . . . . 54.149999999999999 109.913 -172.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.36 136.97 31.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.677 -0.49 . . . . 80.709999999999994 109.677 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' B' ' 8' ' ' GLU . 20.2 pt-20 . . . . . 0 N--CA 1.467 0.395 0 O-C-N 123.923 0.764 . . . . 110.83 110.87 173.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -150.3 133.98 16.66 Favored 'General case' 0 C--N 1.373 1.627 0 O-C-N 121.678 -0.639 . . . . 86.069999999999993 112.426 -179.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -123.59 145.06 49.19 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.679 -0.691 . . . . 62.210000000000001 110.651 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -146.73 152.89 39.56 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.284 -0.871 . . . . 54.350000000000001 111.129 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' MEA . . . . . 0.512 ' O ' ' HC3' ' B' ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -121.65 140.45 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-O 121.85 0.833 . . . . 38.82 109.53 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.9 tp -86.91 115.63 24.43 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.887 -1.153 . . . . 45.549999999999997 107.887 176.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.0 mttt . . . . . 0 CA--C 1.515 -0.398 0 N-CA-C 106.757 -1.572 . . . . 70.299999999999997 106.757 174.729 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -142.62 138.62 30.85 Favored 'General case' 0 C--N 1.328 -0.344 1 CA-C-N 106.423 -4.898 . . . . 81.159999999999997 112.043 -139.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 18.6 tp -95.56 117.94 31.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.169 -1.048 . . . . 41.049999999999997 108.169 173.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -122.86 148.59 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 121.898 0.856 . . . . 45.990000000000002 109.614 179.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -114.82 140.95 48.52 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 125.248 1.419 . . . . 67.709999999999994 112.009 172.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.26 139.69 32.01 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.854 0.835 . . . . 35.579999999999998 110.376 173.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 . . . . . 0 N--CA 1.441 -0.924 0 CA-C-N 114.497 -1.229 . . . . 73.480000000000004 107.848 -177.678 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -137.08 158.72 43.82 Favored 'General case' 0 C--N 1.366 1.288 0 CA-C-O 122.052 0.929 . . . . 86.379999999999995 111.401 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.82 155.36 46.83 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 113.942 -1.481 . . . . 42.200000000000003 107.994 -176.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -146.26 142.57 28.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.981 -1.009 . . . . 86.290000000000006 108.752 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 t -97.56 129.51 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.148 -0.478 . . . . 46.490000000000002 110.336 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 59.1 tp -107.77 96.21 6.23 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.395 -0.965 . . . . 63.75 108.395 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? . . . . . 0 CA--C 1.537 0.477 0 CA-C-O 121.039 0.447 . . . . 97.150000000000006 110.449 173.053 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -106.3 139.23 41.12 Favored 'General case' 0 CA--C 1.54 0.566 1 CA-C-N 101.478 -7.146 . . . . 71.390000000000001 111.501 -156.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 3' ' ' LEU . . . . . 0.506 ' O ' ' O ' ' D' ' 101' ' ' HOH . 5.8 mt -87.11 116.79 25.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.084 -0.709 . . . . 52.850000000000001 109.084 171.537 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 m -117.6 154.68 19.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.379 0.609 . . . . 50.229999999999997 110.315 -179.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -143.36 162.83 34.7 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 118.122 -1.431 . . . . 54.0 112.011 165.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.76 138.32 4.94 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 114.764 -1.107 . . . . 51.670000000000002 109.516 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 105.105 -2.183 . . . . 85.769999999999996 105.105 161.367 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -79.91 142.69 34.91 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 115.827 -0.624 . . . . 75.069999999999993 109.791 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.53 132.09 56.59 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.036 0.934 . . . . 56.399999999999999 108.805 176.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' PHE . . . . . 0.437 ' HA ' ' HC1' ' D' ' 13' ' ' MEA . 6.0 m-85 -117.65 114.11 22.89 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 118.781 -0.628 . . . . 70.950000000000003 109.4 -178.44 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 13' ' ' MEA . . . . . 0.437 ' HC1' ' HA ' ' D' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 64.0 t -109.66 134.77 50.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.94 -1.027 . . . . 45.939999999999998 113.725 -169.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 tp -97.61 154.94 17.21 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.848 0.859 . . . . 56.219999999999999 109.344 165.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' D' ' 102' ' ' HOH . 8.1 mmtt . . . . . 0 C--N 1.322 -0.608 0 C-N-CA 120.114 -0.634 . . . . 92.129999999999995 110.457 169.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -68.48 111.39 4.67 Favored 'General case' 0 C--N 1.326 -0.448 2 CA-C-N 102.98 -6.464 . . . . 59.229999999999997 111.55 -174.996 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 3' ' ' LEU . . . . . . . . . . . . . 43.2 tp -107.82 133.09 52.69 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 121.861 -0.524 . . . . 45.049999999999997 109.812 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 59.2 t -125.95 114.38 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 108.657 -0.868 . . . . 46.159999999999997 108.657 170.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -101.11 137.23 39.74 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 109.316 -0.624 . . . . 49.859999999999999 109.316 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.18 142.46 30.55 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.228 0.537 . . . . 42.020000000000003 109.797 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.442 -0.861 0 N-CA-C 104.224 -2.51 . . . . 76.180000000000007 104.224 173.707 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -61.51 136.99 58.22 Favored 'General case' 0 C--N 1.372 1.57 0 N-CA-C 114.529 1.307 . . . . 61.960000000000001 114.529 -176.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.51 141.67 37.3 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.368 -0.605 . . . . 44.740000000000002 109.368 -178.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -148.0 132.47 17.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.329 -1.36 . . . . 48.020000000000003 107.329 -172.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 13' ' ' MEA . . . . . 0.62 ' HC3' ' O ' ' E' ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.5 132.56 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 112.362 -2.199 . . . . 46.32 106.414 172.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 19.8 tp -124.97 119.3 28.36 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.377 -1.342 . . . . 50.409999999999997 107.377 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mttp . . . . . 0 N--CA 1.471 0.575 0 O-C-N 124.133 0.895 . . . . 70.980000000000004 111.897 178.825 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -105.08 131.89 52.0 Favored 'General case' 0 C--N 1.325 -0.482 2 CA-C-N 104.838 -5.619 . . . . 76.629999999999995 110.527 -136.857 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 3' ' ' LEU . . . . . . . . . . . . . 12.1 tp -121.0 131.97 54.62 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.223 -0.899 . . . . 53.93 109.412 -177.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -122.39 117.54 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.574 -0.898 . . . . 36.810000000000002 108.574 169.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -94.76 146.49 24.14 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.117 0.871 . . . . 55.600000000000001 110.757 177.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -151.56 149.28 29.0 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 119.51 -0.876 . . . . 39.020000000000003 110.36 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 8' ' ' GLU . . . . . 0.872 ' OE2' ' O ' ' F' ' 101' ' ' HOH . 72.8 tt0 . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 114.949 -1.023 . . . . 77.409999999999997 108.701 173.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -71.81 140.18 49.29 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 115.213 -0.903 . . . . 64.709999999999994 109.143 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.3 150.04 44.95 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.629 -0.714 . . . . 40.210000000000001 109.485 -176.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 12' ' ' PHE . . . . . 0.442 ' HA ' ' HC1' ' F' ' 13' ' ' MEA . 48.0 t80 -147.45 135.7 21.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.443 -1.688 . . . . 42.57 106.443 -179.153 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 13' ' ' MEA . . . . . 0.602 ' HC3' ' O ' ' F' ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.87 124.36 72.17 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 113.966 -1.47 . . . . 43.799999999999997 108.108 168.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 35.8 tp -118.66 123.09 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.519 -0.919 . . . . 45.700000000000003 108.519 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 mttt . . . . . 0 N--CA 1.47 0.525 0 N-CA-C 109.63 -0.507 . . . . 54.280000000000001 109.63 176.363 . . . . . . . . 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . 0.696 ' O ' ' I ' ' B' ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . 0.506 ' O ' ' O ' ' D' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 102' ' ' HOH . . . . . 0.42 ' O ' ' NZ ' ' D' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 101' ' ' HOH . . . . . 0.872 ' O ' ' OE2' ' F' ' 8' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -125.33 137.16 54.05 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.628 1.714 . . . . 65.950000000000003 115.628 -155.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.0 tp -92.57 119.57 32.16 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.223 -0.899 . . . . 38.299999999999997 109.196 165.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 m -125.51 161.69 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-O 122.063 0.935 . . . . 43.509999999999998 110.572 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.65 141.63 50.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.985 -1.117 . . . . 64.189999999999998 107.985 177.705 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.26 146.04 31.52 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.971 -0.692 . . . . 40.859999999999999 109.425 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.483 -0.781 . . . . 60.369999999999997 109.355 175.003 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -132.36 153.12 51.09 Favored 'General case' 0 C--N 1.375 1.705 0 N-CA-C 113.286 0.847 . . . . 67.930000000000007 113.286 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.78 147.18 42.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.947 -0.57 . . . . 40.579999999999998 110.053 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -148.35 151.14 34.83 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.447 -0.797 . . . . 55.07 110.525 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.06 140.48 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.556 -0.905 . . . . 47.030000000000001 108.556 -176.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -100.71 121.77 42.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.658 -1.238 . . . . 40.729999999999997 107.658 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 107.824 -1.176 . . . . 74.150000000000006 107.824 179.947 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -106.48 136.6 45.97 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.333 0.97 . . . . 65.480000000000004 112.962 -155.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -91.42 113.08 25.25 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.26 -1.385 . . . . 42.420000000000002 107.26 174.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 m -119.41 143.1 31.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 CA-C-O 122.258 1.028 . . . . 44.229999999999997 111.285 -171.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PHI . . . . . 0.696 ' I ' ' O ' ' B' ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -140.84 139.0 34.41 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.993 -0.549 . . . . 54.149999999999999 109.913 -172.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.36 136.97 31.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.677 -0.49 . . . . 80.709999999999994 109.677 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' B' ' 8' ' ' GLU . 20.2 pt-20 . . . . . 0 N--CA 1.467 0.395 0 O-C-N 123.923 0.764 . . . . 110.83 110.87 173.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -150.3 133.98 16.66 Favored 'General case' 0 C--N 1.373 1.627 0 O-C-N 121.678 -0.639 . . . . 86.069999999999993 112.426 -179.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -123.59 145.06 49.19 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.679 -0.691 . . . . 62.210000000000001 110.651 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -146.73 152.89 39.56 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.284 -0.871 . . . . 54.350000000000001 111.129 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' MEA . . . . . 0.512 ' O ' ' HC3' ' B' ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -121.65 140.45 45.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-O 121.85 0.833 . . . . 38.82 109.53 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.9 tp -86.91 115.63 24.43 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.887 -1.153 . . . . 45.549999999999997 107.887 176.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.0 mttt . . . . . 0 CA--C 1.515 -0.398 0 N-CA-C 106.757 -1.572 . . . . 70.299999999999997 106.757 174.729 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -142.62 138.62 30.85 Favored 'General case' 0 C--N 1.328 -0.344 1 CA-C-N 106.423 -4.898 . . . . 81.159999999999997 112.043 -139.747 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 18.6 tp -95.56 117.94 31.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.169 -1.048 . . . . 41.049999999999997 108.169 173.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -122.86 148.59 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 121.898 0.856 . . . . 45.990000000000002 109.614 179.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -114.82 140.95 48.52 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 125.248 1.419 . . . . 67.709999999999994 112.009 172.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.26 139.69 32.01 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.854 0.835 . . . . 35.579999999999998 110.376 173.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 . . . . . 0 N--CA 1.441 -0.924 0 CA-C-N 114.497 -1.229 . . . . 73.480000000000004 107.848 -177.678 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -137.08 158.72 43.82 Favored 'General case' 0 C--N 1.366 1.288 0 CA-C-O 122.052 0.929 . . . . 86.379999999999995 111.401 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.82 155.36 46.83 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 113.942 -1.481 . . . . 42.200000000000003 107.994 -176.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -146.26 142.57 28.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.981 -1.009 . . . . 86.290000000000006 108.752 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 t -97.56 129.51 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.148 -0.478 . . . . 46.490000000000002 110.336 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 59.1 tp -107.77 96.21 6.23 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.395 -0.965 . . . . 63.75 108.395 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? . . . . . 0 CA--C 1.537 0.477 0 CA-C-O 121.039 0.447 . . . . 97.150000000000006 110.449 173.053 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -106.3 139.23 41.12 Favored 'General case' 0 CA--C 1.54 0.566 1 CA-C-N 101.478 -7.146 . . . . 71.390000000000001 111.501 -156.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.506 ' O ' ' O ' ' D' ' 101' ' ' HOH . 5.8 mt -87.11 116.79 25.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.084 -0.709 . . . . 52.850000000000001 109.084 171.537 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 m -117.6 154.68 19.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.379 0.609 . . . . 50.229999999999997 110.315 -179.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -143.36 162.83 34.7 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 118.122 -1.431 . . . . 54.0 112.011 165.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.76 138.32 4.94 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 114.764 -1.107 . . . . 51.670000000000002 109.516 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 105.105 -2.183 . . . . 85.769999999999996 105.105 161.367 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -79.91 142.69 34.91 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 115.827 -0.624 . . . . 75.069999999999993 109.791 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.53 132.09 56.59 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.036 0.934 . . . . 56.399999999999999 108.805 176.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' PHE . . . . . 0.437 ' HA ' ' HC1' ' D' ' 13' ' ' MEA . 6.0 m-85 -117.65 114.11 22.89 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 118.781 -0.628 . . . . 70.950000000000003 109.4 -178.44 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' MEA . . . . . 0.437 ' HC1' ' HA ' ' D' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 64.0 t -109.66 134.77 50.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.94 -1.027 . . . . 45.939999999999998 113.725 -169.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 tp -97.61 154.94 17.21 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.848 0.859 . . . . 56.219999999999999 109.344 165.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' D' ' 102' ' ' HOH . 8.1 mmtt . . . . . 0 C--N 1.322 -0.608 0 C-N-CA 120.114 -0.634 . . . . 92.129999999999995 110.457 169.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -68.48 111.39 4.67 Favored 'General case' 0 C--N 1.326 -0.448 2 CA-C-N 102.98 -6.464 . . . . 59.229999999999997 111.55 -174.996 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' LEU . . . . . . . . . . . . . 43.2 tp -107.82 133.09 52.69 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 121.861 -0.524 . . . . 45.049999999999997 109.812 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 59.2 t -125.95 114.38 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 108.657 -0.868 . . . . 46.159999999999997 108.657 170.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -101.11 137.23 39.74 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 109.316 -0.624 . . . . 49.859999999999999 109.316 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.18 142.46 30.55 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.228 0.537 . . . . 42.020000000000003 109.797 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.442 -0.861 0 N-CA-C 104.224 -2.51 . . . . 76.180000000000007 104.224 173.707 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -61.51 136.99 58.22 Favored 'General case' 0 C--N 1.372 1.57 0 N-CA-C 114.529 1.307 . . . . 61.960000000000001 114.529 -176.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.51 141.67 37.3 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.368 -0.605 . . . . 44.740000000000002 109.368 -178.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -148.0 132.47 17.65 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.329 -1.36 . . . . 48.020000000000003 107.329 -172.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' MEA . . . . . 0.62 ' HC3' ' O ' ' E' ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.5 132.56 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 112.362 -2.199 . . . . 46.32 106.414 172.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 19.8 tp -124.97 119.3 28.36 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.377 -1.342 . . . . 50.409999999999997 107.377 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mttp . . . . . 0 N--CA 1.471 0.575 0 O-C-N 124.133 0.895 . . . . 70.980000000000004 111.897 178.825 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -105.08 131.89 52.0 Favored 'General case' 0 C--N 1.325 -0.482 2 CA-C-N 104.838 -5.619 . . . . 76.629999999999995 110.527 -136.857 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 3' ' ' LEU . . . . . . . . . . . . . 12.1 tp -121.0 131.97 54.62 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.223 -0.899 . . . . 53.93 109.412 -177.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -122.39 117.54 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.574 -0.898 . . . . 36.810000000000002 108.574 169.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -94.76 146.49 24.14 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.117 0.871 . . . . 55.600000000000001 110.757 177.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -151.56 149.28 29.0 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 119.51 -0.876 . . . . 39.020000000000003 110.36 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 8' ' ' GLU . . . . . 0.872 ' OE2' ' O ' ' F' ' 101' ' ' HOH . 72.8 tt0 . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 114.949 -1.023 . . . . 77.409999999999997 108.701 173.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -71.81 140.18 49.29 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 115.213 -0.903 . . . . 64.709999999999994 109.143 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.3 150.04 44.95 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.629 -0.714 . . . . 40.210000000000001 109.485 -176.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 12' ' ' PHE . . . . . 0.442 ' HA ' ' HC1' ' F' ' 13' ' ' MEA . 48.0 t80 -147.45 135.7 21.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.443 -1.688 . . . . 42.57 106.443 -179.153 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 13' ' ' MEA . . . . . 0.602 ' HC3' ' O ' ' F' ' 13' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.87 124.36 72.17 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 113.966 -1.47 . . . . 43.799999999999997 108.108 168.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 35.8 tp -118.66 123.09 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.519 -0.919 . . . . 45.700000000000003 108.519 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 mttt . . . . . 0 N--CA 1.47 0.525 0 N-CA-C 109.63 -0.507 . . . . 54.280000000000001 109.63 176.363 . . . . . . . . 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . 0.696 ' O ' ' I ' ' B' ' 5' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . 0.506 ' O ' ' O ' ' D' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' HOH . . . . . 0.42 ' O ' ' NZ ' ' D' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 101' ' ' HOH . . . . . 0.872 ' O ' ' OE2' ' F' ' 8' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_