data_4wb4_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 4wb4 _Structure_validation_residue.Date_analyzed 2016-10-12 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 ' 96' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 318' ' ' HOH . . . . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.819 0.342 . . . . 81.19 110.651 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . . . -67.78 -34.58 77.06 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.989 0.423 . . . . 83.15 110.485 179.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . . . -57.14 -44.68 83.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.612 -0.722 . . . . 72.24 110.773 174.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . . . -65.72 -40.72 92.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.335 -0.393 . . . . 102.41 110.522 -175.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.76 -36.44 74.37 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.773 -0.371 . . . . 86.61 110.797 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . . . -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.909 -0.587 . . . . 64.8 111.023 175.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.1 -43.3 88.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.113 -0.494 . . . . 63.2 110.529 175.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.23 -47.24 94.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.058 -0.519 . . . . 61.06 110.969 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . . . -56.75 -45.35 82.09 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.459 -0.791 . . . . 60.56 112.457 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -65.88 -38.52 89.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 67.48 110.203 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.5 ttm -64.97 -38.32 90.57 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.569 -0.453 . . . . 114.78 111.838 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . . . -64.98 -41.75 95.15 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.13 -0.693 . . . . 56.79 109.13 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . . . -59.19 -42.21 90.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.274 -0.421 . . . . 64.73 111.285 174.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.06 -40.88 97.25 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 120.226 -0.59 . . . . 55.4 111.673 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.46 -43.68 93.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.531 -0.468 . . . . 44.44 112.065 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -63.67 -43.61 96.18 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.879 -0.328 . . . . 47.15 110.47 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 79.2 mtp -63.73 -41.45 98.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.255 0.835 . . . . 43.13 113.255 177.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.77 -41.59 93.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 C-N-CA 120.371 -0.532 . . . . 42.37 110.153 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.06 -42.34 99.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 120.679 -0.408 . . . . 67.98 112.006 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . . . -63.49 -39.5 94.61 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 120.979 0.419 . . . . 51.33 111.082 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.1 tp -60.66 -44.92 95.87 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.049 -0.523 . . . . 53.41 109.73 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 88.6 m -60.2 -44.42 95.14 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.066 -0.516 . . . . 34.72 112.096 179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.2 m -57.83 -42.86 85.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.683 0.754 . . . . 39.3 112.444 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ARG . . . . . 0.617 ' NH2' ' O ' ' A' ' 302' ' ' HOH . 9.0 mtt85 -70.52 -37.88 74.17 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 113.033 0.753 . . . . 44.22 113.033 179.367 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -59.86 -37.6 79.74 Favored 'General case' 0 C--O 1.175 -2.836 0 N-CA-C 113.149 0.796 . . . . 65.68 113.149 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 73.8 mt -66.93 -48.14 80.43 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.096 0 C-N-CA 123.954 0.902 . . . . 38.73 111.148 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -45.33 -47.66 13.23 Favored 'General case' 0 C--O 1.175 -2.847 0 C-N-CA 122.824 0.449 . . . . 47.9 111.92 168.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLN . . . . . 0.856 ' NE2' ' OE1' ' B' ' 120' ' ' GLU . 72.3 mt-30 -63.11 -42.22 99.52 Favored 'General case' 0 C--O 1.196 -1.739 0 N-CA-C 112.592 0.59 . . . . 49.56 112.592 179.219 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.12 -48.86 83.93 Favored 'Isoleucine or valine' 0 C--O 1.165 -3.354 0 N-CA-C 109.862 -0.421 . . . . 37.4 109.862 -179.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -55.6 -47.32 76.71 Favored 'General case' 0 C--O 1.191 -2.004 0 O-C-N 122.908 0.13 . . . . 54.23 111.116 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.17 -43.87 93.81 Favored 'General case' 0 C--O 1.189 -2.086 0 N-CA-C 111.86 0.319 . . . . 44.22 111.86 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 30.3 mt -59.82 -45.02 93.69 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 113.096 0.776 . . . . 43.68 113.096 178.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -62.41 -38.57 90.19 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.555 -0.535 . . . . 40.02 109.555 178.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -68.51 -37.31 79.94 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.992 -0.549 . . . . 46.76 110.398 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.6 mt -68.28 -42.59 84.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 120.182 -0.607 . . . . 38.21 110.933 178.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -60.86 -46.58 90.03 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.328 -0.549 . . . . 64.36 111.591 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -56.54 -44.42 80.86 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 119.742 -0.783 . . . . 51.04 111.288 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . . . -56.32 -54.34 46.56 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 120.8 0.333 . . . . 57.72 111.662 179.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.55 -44.84 89.79 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.531 0.937 . . . . 65.55 113.531 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' THR . . . . . 0.518 ' OG1' ' O ' ' A' ' 135' ' ' THR . 3.0 p -104.4 97.82 7.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.885 0.328 . . . . 78.35 111.885 178.175 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 C-N-CA 122.984 0.514 . . . . 78.35 109.754 2.686 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.577 0 CA-C-O 121.109 0.48 . . . . 79.84 111.274 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . . . -52.4 -42.39 64.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.293 -0.867 . . . . 76.92 111.32 179.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -68.81 -26.02 64.97 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 114.614 1.339 . . . . 79.5 114.614 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -79.17 -27.6 42.7 Favored 'General case' 0 C--O 1.191 -1.991 0 C-N-CA 120.403 -0.519 . . . . 96.69 111.314 178.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' MET . . . . . . . . . . . . . . . -81.27 -31.74 33.58 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 107.958 -1.127 . . . . 85.78 107.958 -175.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -67.59 -38.87 84.62 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.927 -0.579 . . . . 84.91 111.426 173.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . . . -62.53 -43.57 98.49 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.354 0.597 . . . . 60.66 109.977 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.7 t -58.01 -42.04 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 114.912 -1.04 . . . . 60.91 112.51 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 52.8 t -62.92 -47.08 94.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.16 0.505 . . . . 51.48 110.919 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . . . -56.47 -44.16 80.3 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.816 -0.629 . . . . 49.69 110.728 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -66.87 -38.72 86.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 59.22 112.248 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' MET . . . . . . . . . . . . . 28.1 mtt -64.63 -40.53 95.63 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 119.687 -0.805 . . . . 83.16 110.92 177.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . . . -63.44 -39.52 94.69 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.407 -0.517 . . . . 42.68 109.642 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -45.11 87.79 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.46 -0.791 . . . . 57.16 112.053 176.065 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . . . -65.84 -37.47 86.3 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.701 -0.682 . . . . 37.95 110.596 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 18.7 mt -58.97 -44.18 91.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.935 -0.575 . . . . 54.72 110.584 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . . . -62.15 -39.67 93.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 44.15 109.533 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' MET . . . . . . . . . . . . . 83.2 mtp -63.59 -44.5 93.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.431 -0.35 . . . . 55.89 111.337 177.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.6 -35.94 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-O 121.044 0.449 . . . . 36.28 109.859 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.41 -44.0 92.92 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.511 -0.476 . . . . 65.72 111.862 176.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -63.0 -34.77 78.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.271 -0.422 . . . . 56.71 111.587 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.46 -45.77 89.31 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 120.843 0.354 . . . . 54.04 111.567 173.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 26.9 m -61.62 -41.86 98.07 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.403 -0.817 . . . . 48.06 111.155 -177.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 28.6 m -58.0 -41.96 84.18 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.185 0.517 . . . . 41.5 110.421 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . . . -65.82 -41.14 92.2 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.445 -0.502 . . . . 36.15 110.561 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' GLU . . . . . 0.856 ' OE1' ' NE2' ' A' ' 123' ' ' GLN . 17.2 mm-40 -60.42 -43.65 96.55 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 120.512 -0.475 . . . . 68.33 111.694 177.53 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 51.9 mt -58.74 -46.77 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.328 -0.619 . . . . 32.17 109.328 178.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . . . -55.68 -46.18 77.65 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.386 1.254 . . . . 32.65 114.386 173.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -63.18 -41.41 99.21 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 116.582 -0.281 . . . . 60.11 110.686 -177.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.37 -48.7 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 120.178 -0.609 . . . . 35.05 111.147 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.48 -37.54 87.68 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 120.667 -0.413 . . . . 36.01 110.909 -178.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 2.4 tp -65.43 -41.04 93.93 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 110.385 -0.228 . . . . 39.58 110.385 177.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.49 -44.5 96.97 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-O 121.654 0.74 . . . . 33.3 110.381 176.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -61.76 -39.72 92.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.356 -0.838 . . . . 58.3 109.815 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -69.46 -37.68 77.44 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.07 -0.652 . . . . 47.55 110.381 -178.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 50.6 mt -64.76 -42.92 96.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.245 -0.434 . . . . 40.52 110.33 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -61.84 -45.67 92.79 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.643 -0.423 . . . . 52.24 110.518 177.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -55.19 -45.13 75.8 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 111.926 0.343 . . . . 51.57 111.926 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . . . -55.79 -51.94 65.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.808 0.337 . . . . 54.71 110.911 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.15 -40.24 73.55 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.611 -0.722 . . . . 58.7 111.258 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 67.58 111.659 177.358 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . 0.617 ' O ' ' NH2' ' A' ' 119' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . 0.523 ' O ' ' N ' ' A' ' 96' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 318' ' ' HOH . . . . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.819 0.342 . . . . 81.189999999999998 110.651 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . . . -67.78 -34.58 77.06 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.989 0.423 . . . . 83.150000000000006 110.485 179.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . . . -57.14 -44.68 83.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.612 -0.722 . . . . 72.239999999999995 110.773 174.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . . . -65.72 -40.72 92.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.335 -0.393 . . . . 102.41 110.522 -175.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.76 -36.44 74.37 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.773 -0.371 . . . . 86.609999999999999 110.797 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . . . -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.909 -0.587 . . . . 64.799999999999997 111.023 175.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.1 -43.3 88.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.113 -0.494 . . . . 63.200000000000003 110.529 175.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.23 -47.24 94.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.058 -0.519 . . . . 61.060000000000002 110.969 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . . . -56.75 -45.35 82.09 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.459 -0.791 . . . . 60.560000000000002 112.457 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -65.88 -38.52 89.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 67.480000000000004 110.203 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.5 ttm -64.97 -38.32 90.57 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.569 -0.453 . . . . 114.78 111.838 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . . . -64.98 -41.75 95.15 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.13 -0.693 . . . . 56.789999999999999 109.13 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . . . -59.19 -42.21 90.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.274 -0.421 . . . . 64.730000000000004 111.285 174.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLN . . . . . 0.471 ' HG2' HD21 ' B' ' 110' ' ' LEU . 26.5 mt-30 -64.06 -40.88 97.25 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 120.226 -0.59 . . . . 55.399999999999999 111.673 -178.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.46 -43.68 93.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.531 -0.468 . . . . 44.439999999999998 112.065 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -63.67 -43.61 96.18 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.879 -0.328 . . . . 47.149999999999999 110.47 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' MET . . . . . 0.499 ' SD ' HD22 ' B' ' 110' ' ' LEU . 79.2 mtp -63.73 -41.45 98.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.255 0.835 . . . . 43.130000000000003 113.255 177.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.77 -41.59 93.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 C-N-CA 120.371 -0.532 . . . . 42.369999999999997 110.153 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.06 -42.34 99.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 120.679 -0.408 . . . . 67.980000000000004 112.006 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . . . -63.49 -39.5 94.61 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 120.979 0.419 . . . . 51.329999999999998 111.082 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.1 tp -60.66 -44.92 95.87 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.049 -0.523 . . . . 53.409999999999997 109.73 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 88.6 m -60.2 -44.42 95.14 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.066 -0.516 . . . . 34.719999999999999 112.096 179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.2 m -57.83 -42.86 85.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.683 0.754 . . . . 39.299999999999997 112.444 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -70.52 -37.88 74.17 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 113.033 0.753 . . . . 44.219999999999999 113.033 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -59.86 -37.6 79.74 Favored 'General case' 0 C--O 1.175 -2.836 0 N-CA-C 113.149 0.796 . . . . 65.680000000000007 113.149 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 73.8 mt -66.93 -48.14 80.43 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.096 0 C-N-CA 123.954 0.902 . . . . 38.729999999999997 111.148 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -45.33 -47.66 13.23 Favored 'General case' 0 C--O 1.175 -2.847 0 C-N-CA 122.824 0.449 . . . . 47.899999999999999 111.92 168.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLN . . . . . 0.852 ' NE2' ' OE1' ' B' ' 120' ' ' GLU . 72.3 mt-30 -63.11 -42.22 99.52 Favored 'General case' 0 C--O 1.196 -1.739 0 N-CA-C 112.592 0.59 . . . . 49.560000000000002 112.592 179.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.12 -48.86 83.93 Favored 'Isoleucine or valine' 0 C--O 1.165 -3.354 0 N-CA-C 109.862 -0.421 . . . . 37.399999999999999 109.862 -179.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -55.6 -47.32 76.71 Favored 'General case' 0 C--O 1.191 -2.004 0 O-C-N 122.908 0.13 . . . . 54.229999999999997 111.116 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.17 -43.87 93.81 Favored 'General case' 0 C--O 1.189 -2.086 0 N-CA-C 111.86 0.319 . . . . 44.219999999999999 111.86 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 30.3 mt -59.82 -45.02 93.69 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 113.096 0.776 . . . . 43.68 113.096 178.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -62.41 -38.57 90.19 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.555 -0.535 . . . . 40.020000000000003 109.555 178.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -68.51 -37.31 79.94 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.992 -0.549 . . . . 46.759999999999998 110.398 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.6 mt -68.28 -42.59 84.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 120.182 -0.607 . . . . 38.210000000000001 110.933 178.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -60.86 -46.58 90.03 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.328 -0.549 . . . . 64.359999999999999 111.591 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -56.54 -44.42 80.86 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 119.742 -0.783 . . . . 51.039999999999999 111.288 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . . . -56.32 -54.34 46.56 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 120.8 0.333 . . . . 57.719999999999999 111.662 179.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.55 -44.84 89.79 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.531 0.937 . . . . 65.549999999999997 113.531 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' THR . . . . . 0.518 ' O ' ' OG1' ' A' ' 135' ' ' THR . 3.0 p -104.4 97.82 7.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.885 0.328 . . . . 78.349999999999994 111.885 178.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 136' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 135' ' ' THR . . . . . . . . 0 C--N 1.328 -0.358 0 C-N-CA 122.984 0.514 . . . . 78.349999999999994 109.754 2.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.577 0 CA-C-O 121.109 0.48 . . . . 79.840000000000003 111.274 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . . . -52.4 -42.39 64.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.293 -0.867 . . . . 76.920000000000002 111.32 179.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -68.81 -26.02 64.97 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 114.614 1.339 . . . . 79.5 114.614 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -79.17 -27.6 42.7 Favored 'General case' 0 C--O 1.191 -1.991 0 C-N-CA 120.403 -0.519 . . . . 96.689999999999998 111.314 178.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' MET . . . . . . . . . . . . . . . -81.27 -31.74 33.58 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 107.958 -1.127 . . . . 85.780000000000001 107.958 -175.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -67.59 -38.87 84.62 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.927 -0.579 . . . . 84.909999999999997 111.426 173.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . . . -62.53 -43.57 98.49 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.354 0.597 . . . . 60.659999999999997 109.977 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.7 t -58.01 -42.04 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 114.912 -1.04 . . . . 60.909999999999997 112.51 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 52.8 t -62.92 -47.08 94.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.16 0.505 . . . . 51.479999999999997 110.919 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . . . -56.47 -44.16 80.3 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.816 -0.629 . . . . 49.689999999999998 110.728 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -66.87 -38.72 86.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 59.219999999999999 112.248 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' MET . . . . . . . . . . . . . 28.1 mtt -64.63 -40.53 95.63 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 119.687 -0.805 . . . . 83.159999999999997 110.92 177.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . . . -63.44 -39.52 94.69 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.407 -0.517 . . . . 42.68 109.642 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -45.11 87.79 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.46 -0.791 . . . . 57.159999999999997 112.053 176.065 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . . . -65.84 -37.47 86.3 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.701 -0.682 . . . . 37.950000000000003 110.596 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' LEU . . . . . 0.499 HD22 ' SD ' ' A' ' 112' ' ' MET . 18.7 mt -58.97 -44.18 91.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.935 -0.575 . . . . 54.719999999999999 110.584 176.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . . . -62.15 -39.67 93.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 44.149999999999999 109.533 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' MET . . . . . . . . . . . . . 83.2 mtp -63.59 -44.5 93.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.431 -0.35 . . . . 55.890000000000001 111.337 177.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.6 -35.94 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-O 121.044 0.449 . . . . 36.280000000000001 109.859 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.41 -44.0 92.92 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.511 -0.476 . . . . 65.719999999999999 111.862 176.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -63.0 -34.77 78.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.271 -0.422 . . . . 56.710000000000001 111.587 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.46 -45.77 89.31 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 120.843 0.354 . . . . 54.039999999999999 111.567 173.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 26.9 m -61.62 -41.86 98.07 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.403 -0.817 . . . . 48.060000000000002 111.155 -177.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 28.6 m -58.0 -41.96 84.18 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.185 0.517 . . . . 41.5 110.421 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . . . -65.82 -41.14 92.2 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.445 -0.502 . . . . 36.149999999999999 110.561 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' GLU . . . . . 0.852 ' OE1' ' NE2' ' A' ' 123' ' ' GLN . 17.2 mm-40 -60.42 -43.65 96.55 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 120.512 -0.475 . . . . 68.329999999999998 111.694 177.53 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 51.9 mt -58.74 -46.77 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.328 -0.619 . . . . 32.170000000000002 109.328 178.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . . . -55.68 -46.18 77.65 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.386 1.254 . . . . 32.649999999999999 114.386 173.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -63.18 -41.41 99.21 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 116.582 -0.281 . . . . 60.109999999999999 110.686 -177.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.37 -48.7 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 120.178 -0.609 . . . . 35.049999999999997 111.147 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.48 -37.54 87.68 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 120.667 -0.413 . . . . 36.009999999999998 110.909 -178.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 2.4 tp -65.43 -41.04 93.93 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 110.385 -0.228 . . . . 39.579999999999998 110.385 177.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.49 -44.5 96.97 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-O 121.654 0.74 . . . . 33.299999999999997 110.381 176.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -61.76 -39.72 92.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.356 -0.838 . . . . 58.299999999999997 109.815 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' B' ' 210' ' ' HOH . 58.2 ttt180 -69.46 -37.68 77.44 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.07 -0.652 . . . . 47.549999999999997 110.381 -178.457 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 50.6 mt -64.76 -42.92 96.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.245 -0.434 . . . . 40.520000000000003 110.33 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -61.84 -45.67 92.79 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.643 -0.423 . . . . 52.240000000000002 110.518 177.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -55.19 -45.13 75.8 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 111.926 0.343 . . . . 51.57 111.926 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . . . -55.79 -51.94 65.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.808 0.337 . . . . 54.710000000000001 110.911 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.15 -40.24 73.55 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.611 -0.722 . . . . 58.700000000000003 111.258 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 67.579999999999998 111.659 177.358 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . 0.523 ' O ' ' N ' ' A' ' 96' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . 0.465 ' O ' ' HG3' ' B' ' 129' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 318' ' ' HOH . . . . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.819 0.342 . . . . 81.189999999999998 110.651 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . . . -67.78 -34.58 77.06 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.989 0.423 . . . . 83.150000000000006 110.485 179.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . . . -57.14 -44.68 83.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.612 -0.722 . . . . 72.239999999999995 110.773 174.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . . . -65.72 -40.72 92.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.335 -0.393 . . . . 102.41 110.522 -175.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.76 -36.44 74.37 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.773 -0.371 . . . . 86.609999999999999 110.797 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . . . -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.909 -0.587 . . . . 64.799999999999997 111.023 175.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.1 -43.3 88.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.113 -0.494 . . . . 63.200000000000003 110.529 175.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.23 -47.24 94.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.058 -0.519 . . . . 61.060000000000002 110.969 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . . . -56.75 -45.35 82.09 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.459 -0.791 . . . . 60.560000000000002 112.457 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -65.88 -38.52 89.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 67.480000000000004 110.203 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.5 ttm -64.97 -38.32 90.57 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.569 -0.453 . . . . 114.78 111.838 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . . . -64.98 -41.75 95.15 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.13 -0.693 . . . . 56.789999999999999 109.13 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . . . -59.19 -42.21 90.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.274 -0.421 . . . . 64.730000000000004 111.285 174.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.471 ' HG2' HD21 ' B' ' 110' ' ' LEU . 26.5 mt-30 -64.06 -40.88 97.25 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 120.226 -0.59 . . . . 55.399999999999999 111.673 -178.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.46 -43.68 93.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.531 -0.468 . . . . 44.439999999999998 112.065 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -63.67 -43.61 96.18 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.879 -0.328 . . . . 47.149999999999999 110.47 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' MET . . . . . 0.499 ' SD ' HD22 ' B' ' 110' ' ' LEU . 79.2 mtp -63.73 -41.45 98.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.255 0.835 . . . . 43.130000000000003 113.255 177.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.77 -41.59 93.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 C-N-CA 120.371 -0.532 . . . . 42.369999999999997 110.153 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.06 -42.34 99.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 120.679 -0.408 . . . . 67.980000000000004 112.006 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . . . -63.49 -39.5 94.61 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 120.979 0.419 . . . . 51.329999999999998 111.082 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.1 tp -60.66 -44.92 95.87 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.049 -0.523 . . . . 53.409999999999997 109.73 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 88.6 m -60.2 -44.42 95.14 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.066 -0.516 . . . . 34.719999999999999 112.096 179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.2 m -57.83 -42.86 85.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.683 0.754 . . . . 39.299999999999997 112.444 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -70.52 -37.88 74.17 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 113.033 0.753 . . . . 44.219999999999999 113.033 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -59.86 -37.6 79.74 Favored 'General case' 0 C--O 1.175 -2.836 0 N-CA-C 113.149 0.796 . . . . 65.680000000000007 113.149 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 73.8 mt -66.93 -48.14 80.43 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.096 0 C-N-CA 123.954 0.902 . . . . 38.729999999999997 111.148 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -45.33 -47.66 13.23 Favored 'General case' 0 C--O 1.175 -2.847 0 C-N-CA 122.824 0.449 . . . . 47.899999999999999 111.92 168.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.852 ' NE2' ' OE1' ' B' ' 120' ' ' GLU . 72.3 mt-30 -63.11 -42.22 99.52 Favored 'General case' 0 C--O 1.196 -1.739 0 N-CA-C 112.592 0.59 . . . . 49.560000000000002 112.592 179.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.12 -48.86 83.93 Favored 'Isoleucine or valine' 0 C--O 1.165 -3.354 0 N-CA-C 109.862 -0.421 . . . . 37.399999999999999 109.862 -179.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -55.6 -47.32 76.71 Favored 'General case' 0 C--O 1.191 -2.004 0 O-C-N 122.908 0.13 . . . . 54.229999999999997 111.116 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.17 -43.87 93.81 Favored 'General case' 0 C--O 1.189 -2.086 0 N-CA-C 111.86 0.319 . . . . 44.219999999999999 111.86 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 30.3 mt -59.82 -45.02 93.69 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 113.096 0.776 . . . . 43.68 113.096 178.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -62.41 -38.57 90.19 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.555 -0.535 . . . . 40.020000000000003 109.555 178.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -68.51 -37.31 79.94 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.992 -0.549 . . . . 46.759999999999998 110.398 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.6 mt -68.28 -42.59 84.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 120.182 -0.607 . . . . 38.210000000000001 110.933 178.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -60.86 -46.58 90.03 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.328 -0.549 . . . . 64.359999999999999 111.591 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -56.54 -44.42 80.86 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 119.742 -0.783 . . . . 51.039999999999999 111.288 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . . . -56.32 -54.34 46.56 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 120.8 0.333 . . . . 57.719999999999999 111.662 179.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.55 -44.84 89.79 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.531 0.937 . . . . 65.549999999999997 113.531 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' THR . . . . . 0.518 ' O ' ' OG1' ' A' ' 135' ' ' THR . 3.0 p -104.4 97.82 7.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.885 0.328 . . . . 78.349999999999994 111.885 178.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 135' ' ' THR . . . . . . . . 0 C--N 1.328 -0.358 0 C-N-CA 122.984 0.514 . . . . 78.349999999999994 109.754 2.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.577 0 CA-C-O 121.109 0.48 . . . . 79.840000000000003 111.274 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . . . -52.4 -42.39 64.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.293 -0.867 . . . . 76.920000000000002 111.32 179.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -68.81 -26.02 64.97 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 114.614 1.339 . . . . 79.5 114.614 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -79.17 -27.6 42.7 Favored 'General case' 0 C--O 1.191 -1.991 0 C-N-CA 120.403 -0.519 . . . . 96.689999999999998 111.314 178.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' MET . . . . . . . . . . . . . . . -81.27 -31.74 33.58 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 107.958 -1.127 . . . . 85.780000000000001 107.958 -175.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -67.59 -38.87 84.62 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.927 -0.579 . . . . 84.909999999999997 111.426 173.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . . . -62.53 -43.57 98.49 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.354 0.597 . . . . 60.659999999999997 109.977 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.7 t -58.01 -42.04 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 114.912 -1.04 . . . . 60.909999999999997 112.51 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 52.8 t -62.92 -47.08 94.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.16 0.505 . . . . 51.479999999999997 110.919 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . . . -56.47 -44.16 80.3 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.816 -0.629 . . . . 49.689999999999998 110.728 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -66.87 -38.72 86.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 59.219999999999999 112.248 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' MET . . . . . . . . . . . . . 28.1 mtt -64.63 -40.53 95.63 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 119.687 -0.805 . . . . 83.159999999999997 110.92 177.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . . . -63.44 -39.52 94.69 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.407 -0.517 . . . . 42.68 109.642 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -45.11 87.79 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.46 -0.791 . . . . 57.159999999999997 112.053 176.065 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . . . -65.84 -37.47 86.3 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.701 -0.682 . . . . 37.950000000000003 110.596 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.499 HD22 ' SD ' ' A' ' 112' ' ' MET . 18.7 mt -58.97 -44.18 91.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.935 -0.575 . . . . 54.719999999999999 110.584 176.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . . . -62.15 -39.67 93.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 44.149999999999999 109.533 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' MET . . . . . . . . . . . . . 83.2 mtp -63.59 -44.5 93.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.431 -0.35 . . . . 55.890000000000001 111.337 177.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.6 -35.94 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-O 121.044 0.449 . . . . 36.280000000000001 109.859 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.41 -44.0 92.92 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.511 -0.476 . . . . 65.719999999999999 111.862 176.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -63.0 -34.77 78.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.271 -0.422 . . . . 56.710000000000001 111.587 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.46 -45.77 89.31 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 120.843 0.354 . . . . 54.039999999999999 111.567 173.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 26.9 m -61.62 -41.86 98.07 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.403 -0.817 . . . . 48.060000000000002 111.155 -177.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 28.6 m -58.0 -41.96 84.18 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.185 0.517 . . . . 41.5 110.421 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . . . -65.82 -41.14 92.2 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.445 -0.502 . . . . 36.149999999999999 110.561 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.852 ' OE1' ' NE2' ' A' ' 123' ' ' GLN . 17.2 mm-40 -60.42 -43.65 96.55 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 120.512 -0.475 . . . . 68.329999999999998 111.694 177.53 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 51.9 mt -58.74 -46.77 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.328 -0.619 . . . . 32.170000000000002 109.328 178.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . . . -55.68 -46.18 77.65 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.386 1.254 . . . . 32.649999999999999 114.386 173.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -63.18 -41.41 99.21 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 116.582 -0.281 . . . . 60.109999999999999 110.686 -177.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.37 -48.7 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 120.178 -0.609 . . . . 35.049999999999997 111.147 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.48 -37.54 87.68 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 120.667 -0.413 . . . . 36.009999999999998 110.909 -178.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 2.4 tp -65.43 -41.04 93.93 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 110.385 -0.228 . . . . 39.579999999999998 110.385 177.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.49 -44.5 96.97 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-O 121.654 0.74 . . . . 33.299999999999997 110.381 176.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -61.76 -39.72 92.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.356 -0.838 . . . . 58.299999999999997 109.815 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' B' ' 210' ' ' HOH . 58.2 ttt180 -69.46 -37.68 77.44 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.07 -0.652 . . . . 47.549999999999997 110.381 -178.457 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 50.6 mt -64.76 -42.92 96.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.245 -0.434 . . . . 40.520000000000003 110.33 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -61.84 -45.67 92.79 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.643 -0.423 . . . . 52.240000000000002 110.518 177.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -55.19 -45.13 75.8 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 111.926 0.343 . . . . 51.57 111.926 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . . . -55.79 -51.94 65.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.808 0.337 . . . . 54.710000000000001 110.911 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 87.9 mt -56.15 -40.24 73.55 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.611 -0.722 . . . . 58.700000000000003 111.258 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 67.579999999999998 111.659 177.358 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . 0.523 ' O ' ' N ' ' A' ' 96' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . 0.465 ' O ' ' HG3' ' B' ' 129' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_