data_6ueq_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6ueq _Structure_validation_residue.Date_analyzed 2020-08-29 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 ' B' B ' 12' ' ' VAL . . . . . 0.653 ' N ' ' O ' ' B' ' 404' ' ' HOH . 20.1 t . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.654 0.264 . . . . 66.54 110.45 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -75.64 103.07 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 107.534 -1.284 . . . . 74.61 107.534 173.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.77 -7.73 42.09 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.689 0.626 . . . . 72.75 112.689 -177.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.0 -33.68 44.76 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.33 0.513 . . . . 60.52 111.849 176.825 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -100.76 -8.24 22.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.0 0.741 . . . . 79.41 113.0 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -140.07 72.79 33.27 Favored Pre-proline 0 C--O 1.236 0.36 0 N-CA-C 108.743 -0.836 . . . . 57.07 108.743 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.36 -23.66 56.16 Favored 'Trans proline' 0 C--O 1.238 0.491 0 N-CA-C 113.598 0.576 . . . . 49.71 113.598 -178.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.3 p -71.22 -25.7 62.61 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.794 -0.362 . . . . 49.92 111.837 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.31 1.7 81.02 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-O 119.095 -0.836 . . . . 44.56 114.66 -171.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mt -120.65 131.1 73.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 118.527 1.164 . . . . 44.78 108.746 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.8 t -105.78 122.53 42.24 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 107.845 -1.169 . . . . 53.19 107.845 177.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -64.54 140.37 68.61 Favored 'Trans proline' 0 C--N 1.33 -0.413 0 CA-C-N 118.657 0.556 . . . . 41.6 110.928 173.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -96.61 126.38 41.75 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.418 -0.81 . . . . 50.43 109.291 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.64 133.12 46.39 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.607 -0.437 . . . . 41.83 110.133 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -113.78 -17.39 12.08 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 114.229 1.196 . . . . 39.11 114.229 -173.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -166.81 142.29 4.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.315 -0.994 . . . . 35.64 108.315 -174.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 4.4 mt -139.58 133.61 37.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.513 -0.921 . . . . 36.21 108.513 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 35.9 t -108.04 133.7 52.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 107.681 -1.229 . . . . 30.74 107.681 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.8 p -141.19 151.65 43.99 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.212 -0.662 . . . . 46.25 109.212 -179.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 46.2 p -121.5 152.71 38.85 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.498 -0.774 . . . . 49.22 109.939 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.5 p -157.55 151.62 7.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.465 -1.309 . . . . 39.57 107.465 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.51 114.76 28.06 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.788 -1.19 . . . . 54.22 107.788 178.974 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.56 -13.1 62.15 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.219 -0.446 . . . . 54.8 112.083 172.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 t0 56.64 52.04 10.25 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.217 1.007 . . . . 93.07 112.062 172.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 20.7 p -170.95 139.27 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 107.962 -1.125 . . . . 70.13 107.962 169.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -71.63 138.14 48.45 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.566 0.541 . . . . 78.87 110.026 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mt -119.04 145.57 45.77 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.306 0.575 . . . . 53.4 110.947 -173.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -86.41 94.57 9.42 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 107.138 -1.43 . . . . 79.08 107.138 175.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 46.0 mt -61.32 -40.64 94.98 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.984 -0.553 . . . . 51.97 111.246 -177.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LYS . . . . . 0.605 ' NZ ' ' O ' ' B' ' 408' ' ' HOH . 78.0 tttt -58.96 -38.63 79.51 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 121.041 -0.263 . . . . 83.78 111.257 -179.568 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.96 -32.28 45.33 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.244 0.461 . . . . 56.81 112.244 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 42.7 mt -65.22 -38.58 83.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.339 -0.545 . . . . 58.0 110.568 -179.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.41 -26.01 62.58 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 121.802 -0.562 . . . . 63.96 111.942 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.96 -42.57 57.37 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.245 -0.582 . . . . 69.18 111.315 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -81.24 -45.38 16.37 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.254 0.465 . . . . 81.08 112.254 -174.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.89 144.34 52.51 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.173 0.511 . . . . 67.52 111.308 -175.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . . . -83.22 -29.1 28.78 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 113.016 0.747 . . . . 86.63 113.016 -171.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -120.56 71.83 0.94 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.42 0.629 . . . . 86.59 109.609 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.84 136.41 25.44 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.039 -0.528 . . . . 61.3 109.733 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -119.11 153.38 34.9 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.684 -0.858 . . . . 84.57 108.684 173.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -156.38 104.3 2.2 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.225 -1.028 . . . . 62.31 108.225 -176.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -117.5 94.18 44.94 Favored Pre-proline 0 C--O 1.242 0.664 0 N-CA-C 106.928 -1.508 . . . . 69.11 106.928 172.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.43 -25.41 70.76 Favored 'Trans proline' 0 C--O 1.238 0.515 0 N-CA-C 113.537 0.553 . . . . 56.08 113.537 -177.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -69.55 -26.3 64.43 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.215 -0.594 . . . . 80.65 111.517 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttt85 -89.6 -51.0 5.75 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.534 0.334 . . . . 81.46 111.862 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -152.05 140.76 20.87 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.137 -0.69 . . . . 44.82 109.137 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.48 51.65 1.7 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.986 -0.552 . . . . 51.31 111.976 -174.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -155.81 149.97 25.58 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.651 -0.5 . . . . 47.0 109.651 -177.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 t -82.26 130.32 35.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 108.372 -0.973 . . . . 43.32 108.372 168.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 87.0 mt -100.89 113.38 36.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 N-CA-C 107.486 -1.302 . . . . 43.03 107.486 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 44.0 ttm -128.14 143.66 51.07 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.316 -0.624 . . . . 57.05 109.316 -176.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -129.19 149.01 51.17 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.124 -0.489 . . . . 51.83 109.99 -177.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ILE . . . . . 0.714 ' O ' ' O ' ' B' ' 402' ' ' HOH . 25.7 pt -123.65 161.76 25.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 108.35 -0.981 . . . . 40.77 108.35 172.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -84.65 -44.24 13.63 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.314 -0.857 . . . . 87.9 112.525 -176.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -131.14 116.46 16.69 Favored Pre-proline 0 C--O 1.248 1.01 0 N-CA-C 109.482 -0.562 . . . . 47.88 109.482 -179.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -77.24 149.89 90.5 Favored 'Cis proline' 0 C--N 1.344 0.29 0 C-N-CA 121.972 -2.095 . . . . 35.47 111.068 -5.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -60.54 101.79 0.15 Allowed 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.497 0.498 . . . . 61.98 110.771 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 21.6 p -142.35 169.93 16.66 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.71 0.767 . . . . 44.8 109.507 -177.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 53.5 m -130.09 132.38 46.13 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.405 -0.961 . . . . 40.34 108.405 172.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.92 141.07 46.03 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 122.673 0.389 . . . . 32.9 110.674 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 58.7 mt -109.42 111.97 23.81 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.199 -1.408 . . . . 35.73 107.199 171.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -110.01 126.54 67.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 108.439 -0.949 . . . . 41.27 108.439 -175.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -111.61 157.01 20.92 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.667 0.746 . . . . 36.42 110.696 -174.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.5 -25.34 67.43 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.158 -0.928 . . . . 39.83 111.703 -177.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 83.9 p -67.98 -14.65 63.13 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.719 0.637 . . . . 51.57 112.719 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.37 -11.16 56.77 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 119.121 -0.821 . . . . 47.15 114.53 -175.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -76.35 157.09 32.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.247 1.023 . . . . 56.71 110.419 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 55.5 ttp -143.79 140.0 29.67 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.503 -0.771 . . . . 49.75 110.372 -177.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 59.8 t -115.86 135.34 56.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 107.868 -1.16 . . . . 35.72 107.868 173.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 53.6 t -122.03 123.93 42.79 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 108.706 -0.85 . . . . 48.98 108.706 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.4 p -127.71 157.21 40.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.417 0.627 . . . . 43.0 110.159 -176.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.92 -16.99 55.4 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 115.554 0.982 . . . . 30.98 115.554 169.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.62 160.55 27.64 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.465 1.133 . . . . 36.83 111.18 -174.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -102.09 -10.91 19.27 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.537 0.94 . . . . 49.45 113.537 -176.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 22.6 p -145.82 158.25 43.87 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.337 -0.986 . . . . 35.87 108.337 177.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -61.21 -36.18 79.19 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.387 -0.824 . . . . 48.8 111.076 177.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.25 -36.03 68.95 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.501 -0.479 . . . . 78.42 111.454 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -64.14 -39.55 94.26 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.311 -0.556 . . . . 58.63 111.078 173.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 30.9 t -65.87 -41.67 91.33 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.185 -0.606 . . . . 37.12 111.204 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -66.31 -39.29 89.2 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.557 -0.457 . . . . 62.82 111.071 175.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 7.4 ttp -63.1 -48.23 79.47 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.942 0.401 . . . . 58.2 111.172 179.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.06 89.25 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.442 -0.503 . . . . 36.83 111.177 178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.92 89.21 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.937 -0.305 . . . . 35.37 111.407 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ARG . . . . . 0.514 ' NH2' ' O ' ' B' ' 412' ' ' HOH . 38.8 mtt180 -71.44 -25.41 62.3 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 120.201 -0.599 . . . . 80.35 112.423 175.555 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -68.87 -43.31 75.61 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.887 -0.725 . . . . 38.92 110.9 174.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -63.58 -40.45 97.0 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.567 -0.453 . . . . 36.45 111.182 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.59 99.56 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.558 -0.457 . . . . 49.76 111.274 -178.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -67.14 -34.92 78.61 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.353 -0.539 . . . . 85.76 111.381 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.4 mt -57.26 -41.9 79.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 120.98 0.419 . . . . 48.62 110.366 173.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.99 -33.36 60.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 121.905 -0.497 . . . . 43.93 110.947 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -69.44 -40.81 77.0 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 121.765 -0.585 . . . . 59.58 111.451 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -66.67 -13.13 60.85 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.639 0.607 . . . . 68.79 112.639 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 93.4 mt -92.23 1.87 56.96 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.587 0.588 . . . . 55.8 112.587 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.27 5.63 34.55 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 116.285 1.274 . . . . 61.02 116.285 174.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -101.19 137.47 19.7 Favored Pre-proline 0 C--O 1.237 0.409 0 C-N-CA 115.44 -2.504 . . . . 61.0 111.137 -175.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -77.49 70.2 6.94 Favored 'Trans proline' 0 N--CA 1.479 0.66 0 C-N-CA 121.626 1.551 . . . . 68.41 112.118 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.68 149.9 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.525 -0.734 . . . . 56.14 111.018 -175.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -125.12 -166.44 1.54 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.277 -0.874 . . . . 89.84 109.6 174.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -135.81 74.02 1.49 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 122.174 0.987 . . . . 51.11 108.353 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -101.33 127.36 47.98 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.996 -0.547 . . . . 79.77 110.701 -171.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 61.54 50.02 4.79 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.451 0.701 . . . . 68.63 112.06 169.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.68 139.2 57.94 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.881 -0.599 . . . . 42.87 109.731 170.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -154.83 128.61 8.68 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.416 -0.514 . . . . 51.97 110.367 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 9.1 mm -72.54 128.43 35.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 108.869 -0.789 . . . . 44.65 108.869 170.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -107.41 -32.47 7.72 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 113.914 1.079 . . . . 36.72 113.914 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -154.49 144.15 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.37 -0.604 . . . . 39.36 109.37 -179.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 96.1 mt -129.47 131.69 67.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 108.002 -1.111 . . . . 35.89 108.002 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.8 t -114.4 126.43 71.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 108.65 -0.87 . . . . 41.0 108.65 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -128.74 160.19 22.25 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.731 -0.948 . . . . 33.18 110.731 176.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 84.1 p -145.61 156.32 43.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.153 -0.684 . . . . 44.39 109.153 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 1.7 p -157.4 -176.67 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.823 -0.806 . . . . 58.21 108.823 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -141.74 115.86 9.36 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 108.007 -1.109 . . . . 45.45 108.007 -171.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.76 -8.73 11.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 112.468 0.544 . . . . 40.27 112.468 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 66.19 29.84 9.55 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.7 0.8 . . . . 76.64 112.781 169.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -152.48 151.44 27.13 Favored Pre-proline 0 C--O 1.238 0.465 0 N-CA-C 108.611 -0.885 . . . . 42.98 108.611 168.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -69.06 154.68 70.11 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 120.301 0.667 . . . . 43.61 111.773 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 71.8 mt -126.59 138.14 55.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.344 -0.844 . . . . 38.17 109.319 -175.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -85.54 101.31 12.56 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.204 -1.035 . . . . 75.63 108.204 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 40.3 mt -73.47 -39.21 65.07 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 112.218 0.451 . . . . 35.68 112.218 -173.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' GLU . . . . . 0.834 ' OE2' ' O ' ' B' ' 401' ' ' HOH . 1.0 OUTLIER -71.99 -32.85 67.61 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.938 -0.705 . . . . 79.27 111.673 -177.812 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.19 -41.05 98.5 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 119.723 -1.227 . . . . 42.91 111.677 170.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.29 -47.8 84.45 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 122.351 -0.499 . . . . 35.9 110.865 175.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.43 -30.64 70.7 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 111.952 0.352 . . . . 35.14 111.952 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -72.13 -41.45 67.15 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.338 -0.545 . . . . 64.6 111.795 -174.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 29.9 p -96.99 1.58 50.46 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.096 0.776 . . . . 54.78 113.096 -175.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -134.81 38.49 3.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.252 0.549 . . . . 48.3 109.781 174.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.36 70.45 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.127 0.418 . . . . 43.18 112.127 -173.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.88 -25.32 64.98 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.528 0.566 . . . . 42.98 112.528 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -109.83 -24.44 10.86 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 114.051 1.13 . . . . 49.8 114.051 -178.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 2.8 p -105.85 158.69 16.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.916 0.865 . . . . 43.68 111.717 -165.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 39.3 m -140.6 116.41 10.32 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 107.669 -1.234 . . . . 43.33 107.669 173.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -121.25 115.48 23.08 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.063 -0.717 . . . . 40.62 109.063 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' GLU . . . . . 0.581 ' OE1' ' O ' ' B' ' 403' ' ' HOH . 0.6 OUTLIER -138.28 81.01 26.62 Favored Pre-proline 0 C--O 1.238 0.466 0 N-CA-C 108.137 -1.06 . . . . 78.83 108.137 179.077 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -62.03 -21.63 72.75 Favored 'Trans proline' 0 C--O 1.238 0.49 0 N-CA-C 114.773 1.028 . . . . 57.44 114.773 -167.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -19.5 31.01 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 119.298 0.954 . . . . 100.43 112.255 177.504 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 9.7 tp -90.58 -44.91 9.24 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 120.052 -0.659 . . . . 57.41 112.061 170.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -147.84 130.5 7.84 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 108.234 -1.025 . . . . 42.9 108.234 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.07 -1.44 10.04 Favored 'Trans proline' 0 C--O 1.234 0.325 0 N-CA-C 114.977 1.107 . . . . 31.38 114.977 -173.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -112.29 150.46 18.22 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 119.753 1.161 . . . . 32.93 111.647 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.71 133.74 35.38 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.648 -0.501 . . . . 37.23 109.648 176.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 16.2 mm -93.53 114.87 31.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 107.75 -1.204 . . . . 41.82 107.75 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -109.27 114.84 28.87 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.614 -0.884 . . . . 40.82 108.614 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -99.13 94.99 6.8 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.26 -1.015 . . . . 50.2 108.26 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' MET . . . . . . . . . . . . . 36.5 ttm -76.26 136.57 39.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.039 -0.528 . . . . 43.2 110.262 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' LYS . . . . . 0.641 ' NZ ' ' O ' ' B' ' 405' ' ' HOH . 8.9 mttm -87.52 -40.01 14.66 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.57 0.582 . . . . 73.18 112.57 -179.958 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' VAL . . . . . . . . . . . . . 89.6 t -126.49 102.63 26.09 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 109.391 -0.596 . . . . 46.6 109.391 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -79.8 162.78 84.4 Favored 'Cis proline' 0 C--N 1.343 0.276 0 C-N-CA 125.028 -0.822 . . . . 37.0 110.627 -4.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -71.67 98.17 1.87 Allowed 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.669 -0.863 . . . . 62.52 108.669 -175.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' ILE . . . . . . . . . . . . . 9.2 mm -141.8 144.43 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 107.604 -1.258 . . . . 47.54 107.604 -175.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 161' ' ' VAL . . . . . . . . . . . . . 62.0 t -107.26 132.27 55.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 108.244 -1.021 . . . . 28.8 108.244 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 162' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.72 138.67 53.16 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.292 -0.632 . . . . 30.89 109.292 179.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 6.1 mt -108.46 118.92 38.02 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.387 -1.338 . . . . 31.59 107.387 172.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 164' ' ' ILE . . . . . . . . . . . . . 45.3 mt -113.59 131.97 63.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 108.425 -0.954 . . . . 32.32 108.425 -174.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 165' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -119.83 160.03 23.43 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.405 0.621 . . . . 30.07 110.555 -174.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 166' ' ' VAL . . . . . . . . . . . . . 52.0 t -58.52 -35.71 55.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 114.921 -1.036 . . . . 41.8 110.83 -175.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 60.4 p -69.84 -14.31 62.69 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 113.412 0.893 . . . . 45.83 113.412 -176.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 168' ' ' GLY . . . . . . . . . . . . . . . 99.33 -4.92 58.68 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-O 119.098 -0.835 . . . . 40.12 114.859 -175.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.29 143.38 40.92 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.333 1.067 . . . . 61.07 109.8 175.954 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 170' ' ' ILE . . . . . . . . . . . . . 40.1 mm -127.47 142.08 44.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 108.44 -0.948 . . . . 37.56 108.44 -173.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 71.4 t -118.58 132.19 69.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.558 -1.275 . . . . 26.93 107.558 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 172' ' ' ILE . . . . . . . . . . . . . 66.0 mt -127.24 117.41 47.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 107.834 -1.173 . . . . 36.68 107.834 -176.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 173' ' ' THR . . . . . . . . . . . . . 6.4 t -140.0 161.26 38.03 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.48 0.657 . . . . 37.04 109.463 -176.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 107.18 -2.1 35.16 Favored Glycine 0 C--N 1.333 0.415 0 CA-C-O 118.936 -0.925 . . . . 36.65 115.048 179.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.44 142.04 28.69 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 118.803 1.301 . . . . 44.09 111.272 -174.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -99.33 -13.37 19.65 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.703 -0.681 . . . . 55.43 112.421 167.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 177' ' ' MET . . . . . . . . . . . . . 1.3 mtm -132.77 139.51 47.6 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.882 -0.784 . . . . 150.07 108.882 174.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 178' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -64.27 -13.36 49.12 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 113.301 0.852 . . . . 55.36 113.301 -175.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -78.55 -32.02 47.66 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 118.802 0.728 . . . . 76.49 112.157 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -62.27 -38.35 88.96 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.178 -0.609 . . . . 58.44 110.775 172.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 181' ' ' THR . . . . . . . . . . . . . 28.2 m -56.14 -47.01 79.02 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.0 0.429 . . . . 35.02 111.022 172.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -69.72 -43.93 71.36 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.93 -0.308 . . . . 40.26 111.439 -177.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -64.64 -38.7 91.9 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.137 -0.625 . . . . 70.98 111.211 -179.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.99 98.4 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.348 -0.541 . . . . 31.19 111.31 178.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 185' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -68.25 -36.52 79.56 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.641 -0.824 . . . . 39.77 111.442 179.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 186' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.12 -29.43 65.25 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.595 -0.842 . . . . 59.84 111.635 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 187' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -70.61 -32.93 70.46 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.188 -0.605 . . . . 42.41 111.81 175.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 188' ' ' ILE . . . . . . . . . . . . . 7.9 tp -86.96 -22.62 6.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 112.88 0.696 . . . . 27.16 112.88 -177.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 189' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.98 -48.95 96.21 Favored Pre-proline 0 C--O 1.244 0.79 0 N-CA-C 113.479 0.918 . . . . 53.75 113.479 -174.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 190' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -65.63 -26.08 54.08 Favored 'Trans proline' 0 C--O 1.238 0.501 0 CA-C-N 121.533 1.583 . . . . 43.9 113.059 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 40.2 t -70.1 -41.67 79.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 120.502 -0.479 . . . . 43.22 110.412 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.92 -50.47 70.74 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 121.825 -0.547 . . . . 38.65 111.265 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 59.2 p -60.44 -30.83 69.89 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.95 -0.7 . . . . 42.99 111.278 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -62.61 -28.88 70.2 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.938 -0.305 . . . . 66.84 111.639 175.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 195' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -109.73 34.01 4.06 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 122.774 0.43 . . . . 39.21 111.856 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 196' ' ' ARG . . . . . 0.596 ' NH2' ' O ' ' B' ' 407' ' ' HOH . 17.9 ttt85 -67.73 128.91 38.22 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.156 -0.312 . . . . 53.83 110.156 176.703 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 197' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -73.87 114.75 12.52 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.426 -0.583 . . . . 75.64 109.426 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 198' ' ' ILE . . . . . . . . . . . . . 50.6 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 43.98 111.044 -177.577 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.259 0 O4'-C1'-N19 108.838 1.297 . . . . 65.68 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 202' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.504 0 O4'-C1'-N19 108.731 1.164 . . . . 47.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 203' ' ' ' DT' . . . . . 0.42 ' N3 ' ' N1 ' ' D' ' 226' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.524 1.665 0 O4'-C1'-N19 109.074 1.593 . . . . 41.56 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.417 -1.444 0 O4'-C4'-C3' 106.673 1.073 . . . . 43.9 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 205' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.177 0 O4'-C4'-C3' 104.375 -1.225 . . . . 46.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 206' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.193 0 O4'-C1'-C2' 107.823 1.566 . . . . 45.5 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 207' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.513 -1.5 0 O4'-C1'-N19 108.858 1.322 . . . . 49.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 208' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.517 -1.097 0 O4'-C1'-C2' 107.404 1.186 . . . . 42.74 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 209' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O4'-C1'-N19 109.076 1.595 . . . . 47.42 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.168 0 C3'-C2'-C1' 100.851 -1.321 . . . . 55.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 211' ' ' ' DG' . . . . . 0.408 ' N2 ' ' O2 ' ' D' ' 218' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.533 1.491 0 C4'-C3'-C2' 104.788 1.588 . . . . 62.39 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 212' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.413 -1.374 0 N19-C1'-C2' 111.75 -1.531 . . . . 72.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 213' ' ' ' DC' . . . . . 0.643 ' N4 ' ' O6 ' ' D' ' 216' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.412 -1.425 0 O4'-C1'-N19 109.817 2.522 . . . . 83.64 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 214' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.298 0 O4'-C1'-N19 108.563 0.954 . . . . 88.23 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.399 -1.618 0 O4'-C1'-N19 110.134 2.918 . . . . 78.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 216' ' ' ' DG' . . . . . 0.643 ' O6 ' ' N4 ' ' C' ' 213' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.52 1.141 0 C4'-C3'-C2' 101.729 -1.471 . . . . 71.16 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 217' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.229 0 C4'-C3'-C2' 101.111 -2.089 . . . . 63.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 218' ' ' ' DC' . . . . . 0.542 ' N4 ' ' O3 ' ' D' ' 301' ' ' SO4 . . . . . . . . 0 C4'--C3' 1.516 -1.193 0 C4'-C3'-C2' 100.746 -2.454 . . . . 54.97 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.167 0 O4'-C1'-C2' 107.311 1.101 . . . . 46.66 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.477 0 C4'-C3'-C2' 104.894 1.694 . . . . 52.65 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.246 0 C4'-C3'-C2' 104.396 1.196 . . . . 51.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.128 0 O4'-C1'-C2' 107.478 1.253 . . . . 39.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.534 1.612 0 O4'-C4'-C3' 104.182 -1.418 . . . . 41.16 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 224' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.518 -0.972 0 C4'-C3'-C2' 101.999 -1.201 . . . . 43.17 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 225' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.524 0 O4'-C4'-C3' 103.733 -1.867 . . . . 53.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 226' ' ' ' DA' . . . . . 0.947 ' OP2' ' O ' ' D' ' 401' ' ' HOH . . . . . . . . 0 O3'--C3' 1.411 -1.528 0 O4'-C1'-N19 109.707 2.384 . . . . 52.92 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 227' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.533 0 C4'-C3'-C2' 104.751 1.551 . . . . 63.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 228' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.53 1.235 0 O4'-C1'-C2' 107.883 1.621 . . . . 63.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 301' ' ' SO4 . . . . . 0.542 ' O3 ' ' N4 ' ' D' ' 218' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 401' ' ' HOH . . . . . 0.834 ' O ' ' OE2' ' B' ' 131' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 402' ' ' HOH . . . . . 0.714 ' O ' ' O ' ' B' ' 64' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 403' ' ' HOH . . . . . 0.581 ' O ' ' OE1' ' B' ' 144' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 404' ' ' HOH . . . . . 0.653 ' O ' ' N ' ' B' ' 12' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 405' ' ' HOH . . . . . 0.641 ' O ' ' NZ ' ' B' ' 156' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 407' ' ' HOH . . . . . 0.596 ' O ' ' NH2' ' B' ' 196' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 408' ' ' HOH . . . . . 0.605 ' O ' ' NZ ' ' B' ' 41' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 412' ' ' HOH . . . . . 0.514 ' O ' ' NH2' ' B' ' 95' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 415' ' ' HOH . . . . . 0.467 ' O ' ' NE ' ' B' ' 196' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 446' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 448' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 449' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 450' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 451' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 452' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 401' ' ' HOH . . . . . 0.947 ' O ' ' OP2' ' D' ' 226' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . 0.653 ' N ' ' O ' ' B' ' 404' ' ' HOH . 20.1 t . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.654 0.264 . . . . 66.54 110.45 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -75.64 103.07 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 107.534 -1.284 . . . . 74.61 107.534 173.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.77 -7.73 42.09 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.689 0.626 . . . . 72.75 112.689 -177.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.0 -33.68 44.76 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.33 0.513 . . . . 60.52 111.849 176.825 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -100.76 -8.24 22.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.0 0.741 . . . . 79.41 113.0 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -140.07 72.79 33.27 Favored Pre-proline 0 C--O 1.236 0.36 0 N-CA-C 108.743 -0.836 . . . . 57.07 108.743 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.36 -23.66 56.16 Favored 'Trans proline' 0 C--O 1.238 0.491 0 N-CA-C 113.598 0.576 . . . . 49.71 113.598 -178.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.3 p -71.22 -25.7 62.61 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.794 -0.362 . . . . 49.92 111.837 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.31 1.7 81.02 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-O 119.095 -0.836 . . . . 44.56 114.66 -171.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mt -120.65 131.1 73.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 118.527 1.164 . . . . 44.78 108.746 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.8 t -105.78 122.53 42.24 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 107.845 -1.169 . . . . 53.19 107.845 177.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -64.54 140.37 68.61 Favored 'Trans proline' 0 C--N 1.33 -0.413 0 CA-C-N 118.657 0.556 . . . . 41.6 110.928 173.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -96.61 126.38 41.75 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.418 -0.81 . . . . 50.43 109.291 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.64 133.12 46.39 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.607 -0.437 . . . . 41.83 110.133 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -113.78 -17.39 12.08 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 114.229 1.196 . . . . 39.11 114.229 -173.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -166.81 142.29 4.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.315 -0.994 . . . . 35.64 108.315 -174.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 4.4 mt -139.58 133.61 37.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.513 -0.921 . . . . 36.21 108.513 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 35.9 t -108.04 133.7 52.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 107.681 -1.229 . . . . 30.74 107.681 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.8 p -141.19 151.65 43.99 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.212 -0.662 . . . . 46.25 109.212 -179.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 46.2 p -121.5 152.71 38.85 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.498 -0.774 . . . . 49.22 109.939 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.5 p -157.55 151.62 7.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.465 -1.309 . . . . 39.57 107.465 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -111.51 114.76 28.06 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.788 -1.19 . . . . 54.22 107.788 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.56 -13.1 62.15 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.219 -0.446 . . . . 54.8 112.083 172.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 t0 56.64 52.04 10.25 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.217 1.007 . . . . 93.07 112.062 172.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 20.7 p -170.95 139.27 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 107.962 -1.125 . . . . 70.13 107.962 169.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -71.63 138.14 48.45 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.566 0.541 . . . . 78.87 110.026 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mt -119.04 145.57 45.77 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.306 0.575 . . . . 53.4 110.947 -173.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -86.41 94.57 9.42 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 107.138 -1.43 . . . . 79.08 107.138 175.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 46.0 mt -61.32 -40.64 94.98 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.984 -0.553 . . . . 51.97 111.246 -177.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -58.96 -38.63 79.51 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 121.041 -0.263 . . . . 83.78 111.257 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.96 -32.28 45.33 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.244 0.461 . . . . 56.81 112.244 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 42.7 mt -65.22 -38.58 83.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.339 -0.545 . . . . 58.0 110.568 -179.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.41 -26.01 62.58 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 121.802 -0.562 . . . . 63.96 111.942 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.96 -42.57 57.37 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.245 -0.582 . . . . 69.18 111.315 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -81.24 -45.38 16.37 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.254 0.465 . . . . 81.08 112.254 -174.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.89 144.34 52.51 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.173 0.511 . . . . 67.52 111.308 -175.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . . . -83.22 -29.1 28.78 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 113.016 0.747 . . . . 86.63 113.016 -171.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -120.56 71.83 0.94 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.42 0.629 . . . . 86.59 109.609 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.84 136.41 25.44 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.039 -0.528 . . . . 61.3 109.733 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . 0.411 ' HG3' ' HB ' ' B' ' 61' ' ' ILE . 8.2 pt-20 -119.11 153.38 34.9 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.684 -0.858 . . . . 84.57 108.684 173.397 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' TYR . . . . . 0.533 ' HB2' HG22 ' B' ' 60' ' ' VAL . 28.7 t80 -156.38 104.3 2.2 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.225 -1.028 . . . . 62.31 108.225 -176.548 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -117.5 94.18 44.94 Favored Pre-proline 0 C--O 1.242 0.664 0 N-CA-C 106.928 -1.508 . . . . 69.11 106.928 172.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.43 -25.41 70.76 Favored 'Trans proline' 0 C--O 1.238 0.515 0 N-CA-C 113.537 0.553 . . . . 56.08 113.537 -177.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LYS . . . . . 0.463 ' HD2' ' HA ' ' B' ' 55' ' ' LYS . 4.4 mmmt -69.55 -26.3 64.43 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.215 -0.594 . . . . 80.65 111.517 176.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttt85 -89.6 -51.0 5.75 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.534 0.334 . . . . 81.46 111.862 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -152.05 140.76 20.87 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.137 -0.69 . . . . 44.82 109.137 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.48 51.65 1.7 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.986 -0.552 . . . . 51.31 111.976 -174.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ALA . . . . . 0.443 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . . . -155.81 149.97 25.58 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.651 -0.5 . . . . 47.0 109.651 -177.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' VAL . . . . . 0.533 HG22 ' HB2' ' B' ' 52' ' ' TYR . 11.1 t -82.26 130.32 35.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 108.372 -0.973 . . . . 43.32 108.372 168.406 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ILE . . . . . 0.411 ' HB ' ' HG3' ' B' ' 51' ' ' GLU . 87.0 mt -100.89 113.38 36.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 N-CA-C 107.486 -1.302 . . . . 43.03 107.486 177.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 44.0 ttm -128.14 143.66 51.07 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.316 -0.624 . . . . 57.05 109.316 -176.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -129.19 149.01 51.17 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.124 -0.489 . . . . 51.83 109.99 -177.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ILE . . . . . 0.714 ' O ' ' O ' ' B' ' 402' ' ' HOH . 25.7 pt -123.65 161.76 25.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 108.35 -0.981 . . . . 40.77 108.35 172.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -84.65 -44.24 13.63 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.314 -0.857 . . . . 87.9 112.525 -176.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -131.14 116.46 16.69 Favored Pre-proline 0 C--O 1.248 1.01 0 N-CA-C 109.482 -0.562 . . . . 47.88 109.482 -179.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -77.24 149.89 90.5 Favored 'Cis proline' 0 C--N 1.344 0.29 0 C-N-CA 121.972 -2.095 . . . . 35.47 111.068 -5.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -60.54 101.79 0.15 Allowed 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.497 0.498 . . . . 61.98 110.771 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 21.6 p -142.35 169.93 16.66 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.71 0.767 . . . . 44.8 109.507 -177.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 53.5 m -130.09 132.38 46.13 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.405 -0.961 . . . . 40.34 108.405 172.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ALA . . . . . 0.429 ' HB2' ' CE2' ' B' ' 97' ' ' TYR . . . -111.92 141.07 46.03 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 122.673 0.389 . . . . 32.9 110.674 -179.608 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 58.7 mt -109.42 111.97 23.81 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.199 -1.408 . . . . 35.73 107.199 171.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -110.01 126.54 67.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 108.439 -0.949 . . . . 41.27 108.439 -175.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' B' ' 59' ' ' ALA . 63.1 m-85 -111.61 157.01 20.92 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.667 0.746 . . . . 36.42 110.696 -174.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.5 -25.34 67.43 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.158 -0.928 . . . . 39.83 111.703 -177.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 83.9 p -67.98 -14.65 63.13 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.719 0.637 . . . . 51.57 112.719 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.37 -11.16 56.77 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 119.121 -0.821 . . . . 47.15 114.53 -175.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -76.35 157.09 32.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.247 1.023 . . . . 56.71 110.419 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 55.5 ttp -143.79 140.0 29.67 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.503 -0.771 . . . . 49.75 110.372 -177.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 59.8 t -115.86 135.34 56.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 107.868 -1.16 . . . . 35.72 107.868 173.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 53.6 t -122.03 123.93 42.79 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 108.706 -0.85 . . . . 48.98 108.706 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.4 p -127.71 157.21 40.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.417 0.627 . . . . 43.0 110.159 -176.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.92 -16.99 55.4 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 115.554 0.982 . . . . 30.98 115.554 169.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.62 160.55 27.64 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.465 1.133 . . . . 36.83 111.18 -174.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -102.09 -10.91 19.27 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.537 0.94 . . . . 49.45 113.537 -176.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 22.6 p -145.82 158.25 43.87 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.337 -0.986 . . . . 35.87 108.337 177.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -61.21 -36.18 79.19 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.387 -0.824 . . . . 48.8 111.076 177.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.25 -36.03 68.95 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.501 -0.479 . . . . 78.42 111.454 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -64.14 -39.55 94.26 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.311 -0.556 . . . . 58.63 111.078 173.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 30.9 t -65.87 -41.67 91.33 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.185 -0.606 . . . . 37.12 111.204 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -66.31 -39.29 89.2 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.557 -0.457 . . . . 62.82 111.071 175.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 7.4 ttp -63.1 -48.23 79.47 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.942 0.401 . . . . 58.2 111.172 179.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.06 89.25 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.442 -0.503 . . . . 36.83 111.177 178.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.92 89.21 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.937 -0.305 . . . . 35.37 111.407 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -71.44 -25.41 62.3 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 120.201 -0.599 . . . . 80.35 112.423 175.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -68.87 -43.31 75.61 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.887 -0.725 . . . . 38.92 110.9 174.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 62.0 m-85 -63.58 -40.45 97.0 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.567 -0.453 . . . . 36.45 111.182 176.643 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.59 99.56 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.558 -0.457 . . . . 49.76 111.274 -178.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -67.14 -34.92 78.61 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.353 -0.539 . . . . 85.76 111.381 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.4 mt -57.26 -41.9 79.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 120.98 0.419 . . . . 48.62 110.366 173.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.99 -33.36 60.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 121.905 -0.497 . . . . 43.93 110.947 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -69.44 -40.81 77.0 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 121.765 -0.585 . . . . 59.58 111.451 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -66.67 -13.13 60.85 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.639 0.607 . . . . 68.79 112.639 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 93.4 mt -92.23 1.87 56.96 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.587 0.588 . . . . 55.8 112.587 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.27 5.63 34.55 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 116.285 1.274 . . . . 61.02 116.285 174.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -101.19 137.47 19.7 Favored Pre-proline 0 C--O 1.237 0.409 0 C-N-CA 115.44 -2.504 . . . . 61.0 111.137 -175.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -77.49 70.2 6.94 Favored 'Trans proline' 0 N--CA 1.479 0.66 0 C-N-CA 121.626 1.551 . . . . 68.41 112.118 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.68 149.9 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.525 -0.734 . . . . 56.14 111.018 -175.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -125.12 -166.44 1.54 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.277 -0.874 . . . . 89.84 109.6 174.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -135.81 74.02 1.49 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 122.174 0.987 . . . . 51.11 108.353 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -101.33 127.36 47.98 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.996 -0.547 . . . . 79.77 110.701 -171.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 61.54 50.02 4.79 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.451 0.701 . . . . 68.63 112.06 169.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.68 139.2 57.94 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.881 -0.599 . . . . 42.87 109.731 170.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -154.83 128.61 8.68 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.416 -0.514 . . . . 51.97 110.367 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 9.1 mm -72.54 128.43 35.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 108.869 -0.789 . . . . 44.65 108.869 170.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -107.41 -32.47 7.72 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 113.914 1.079 . . . . 36.72 113.914 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -154.49 144.15 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.37 -0.604 . . . . 39.36 109.37 -179.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 96.1 mt -129.47 131.69 67.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 108.002 -1.111 . . . . 35.89 108.002 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.8 t -114.4 126.43 71.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 108.65 -0.87 . . . . 41.0 108.65 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -128.74 160.19 22.25 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.731 -0.948 . . . . 33.18 110.731 176.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 84.1 p -145.61 156.32 43.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.153 -0.684 . . . . 44.39 109.153 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 1.7 p -157.4 -176.67 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.823 -0.806 . . . . 58.21 108.823 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -141.74 115.86 9.36 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 108.007 -1.109 . . . . 45.45 108.007 -171.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.76 -8.73 11.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 112.468 0.544 . . . . 40.27 112.468 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 66.19 29.84 9.55 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.7 0.8 . . . . 76.64 112.781 169.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' B' ' 196' ' ' ARG . 12.0 p90 -152.48 151.44 27.13 Favored Pre-proline 0 C--O 1.238 0.465 0 N-CA-C 108.611 -0.885 . . . . 42.98 108.611 168.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 127' ' ' PRO . . . . . 0.457 ' HB2' ' HB3' ' B' ' 197' ' ' LYS . 23.1 Cg_exo -69.06 154.68 70.11 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 120.301 0.667 . . . . 43.61 111.773 178.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 128' ' ' ILE . . . . . 0.564 HD13 HD22 ' B' ' 192' ' ' LEU . 71.8 mt -126.59 138.14 55.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.344 -0.844 . . . . 38.17 109.319 -175.184 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -85.54 101.31 12.56 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.204 -1.035 . . . . 75.63 108.204 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 40.3 mt -73.47 -39.21 65.07 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 112.218 0.451 . . . . 35.68 112.218 -173.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' GLU . . . . . 0.834 ' OE2' ' O ' ' B' ' 401' ' ' HOH . 1.0 OUTLIER -71.99 -32.85 67.61 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.938 -0.705 . . . . 79.27 111.673 -177.812 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.19 -41.05 98.5 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 119.723 -1.227 . . . . 42.91 111.677 170.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.29 -47.8 84.45 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 122.351 -0.499 . . . . 35.9 110.865 175.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.43 -30.64 70.7 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 111.952 0.352 . . . . 35.14 111.952 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -72.13 -41.45 67.15 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.338 -0.545 . . . . 64.6 111.795 -174.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 29.9 p -96.99 1.58 50.46 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.096 0.776 . . . . 54.78 113.096 -175.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -134.81 38.49 3.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.252 0.549 . . . . 48.3 109.781 174.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.36 70.45 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.127 0.418 . . . . 43.18 112.127 -173.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.88 -25.32 64.98 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.528 0.566 . . . . 42.98 112.528 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 140' ' ' PHE . . . . . 0.577 ' HE1' ' HD2' ' B' ' 156' ' ' LYS . 45.1 m-85 -109.83 -24.44 10.86 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 114.051 1.13 . . . . 49.8 114.051 -178.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 2.8 p -105.85 158.69 16.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.916 0.865 . . . . 43.68 111.717 -165.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 39.3 m -140.6 116.41 10.32 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 107.669 -1.234 . . . . 43.33 107.669 173.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -121.25 115.48 23.08 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.063 -0.717 . . . . 40.62 109.063 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' GLU . . . . . 0.581 ' OE1' ' O ' ' B' ' 403' ' ' HOH . 0.6 OUTLIER -138.28 81.01 26.62 Favored Pre-proline 0 C--O 1.238 0.466 0 N-CA-C 108.137 -1.06 . . . . 78.83 108.137 179.077 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 145' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -62.03 -21.63 72.75 Favored 'Trans proline' 0 C--O 1.238 0.49 0 N-CA-C 114.773 1.028 . . . . 57.44 114.773 -167.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -19.5 31.01 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 119.298 0.954 . . . . 100.43 112.255 177.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 9.7 tp -90.58 -44.91 9.24 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 120.052 -0.659 . . . . 57.41 112.061 170.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -147.84 130.5 7.84 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 108.234 -1.025 . . . . 42.9 108.234 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 149' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.07 -1.44 10.04 Favored 'Trans proline' 0 C--O 1.234 0.325 0 N-CA-C 114.977 1.107 . . . . 31.38 114.977 -173.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -112.29 150.46 18.22 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 119.753 1.161 . . . . 32.93 111.647 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.71 133.74 35.38 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.648 -0.501 . . . . 37.23 109.648 176.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 16.2 mm -93.53 114.87 31.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 107.75 -1.204 . . . . 41.82 107.75 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 153' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -109.27 114.84 28.87 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.614 -0.884 . . . . 40.82 108.614 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -99.13 94.99 6.8 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.26 -1.015 . . . . 50.2 108.26 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 155' ' ' MET . . . . . . . . . . . . . 36.5 ttm -76.26 136.57 39.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.039 -0.528 . . . . 43.2 110.262 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 156' ' ' LYS . . . . . 0.577 ' HD2' ' HE1' ' B' ' 140' ' ' PHE . 8.9 mttm -87.52 -40.01 14.66 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.57 0.582 . . . . 73.18 112.57 -179.958 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 157' ' ' VAL . . . . . . . . . . . . . 89.6 t -126.49 102.63 26.09 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 109.391 -0.596 . . . . 46.6 109.391 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 158' ' ' PRO . . . . . 0.595 ' HD3' ' HG2' ' B' ' 183' ' ' LYS . 85.7 Cg_endo -79.8 162.78 84.4 Favored 'Cis proline' 0 C--N 1.343 0.276 0 C-N-CA 125.028 -0.822 . . . . 37.0 110.627 -4.772 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 159' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -71.67 98.17 1.87 Allowed 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.669 -0.863 . . . . 62.52 108.669 -175.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 160' ' ' ILE . . . . . . . . . . . . . 9.2 mm -141.8 144.43 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 107.604 -1.258 . . . . 47.54 107.604 -175.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 161' ' ' VAL . . . . . . . . . . . . . 62.0 t -107.26 132.27 55.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 108.244 -1.021 . . . . 28.8 108.244 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 162' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.72 138.67 53.16 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.292 -0.632 . . . . 30.89 109.292 179.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 6.1 mt -108.46 118.92 38.02 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.387 -1.338 . . . . 31.59 107.387 172.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 164' ' ' ILE . . . . . . . . . . . . . 45.3 mt -113.59 131.97 63.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 108.425 -0.954 . . . . 32.32 108.425 -174.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 165' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -119.83 160.03 23.43 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.405 0.621 . . . . 30.07 110.555 -174.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 166' ' ' VAL . . . . . . . . . . . . . 52.0 t -58.52 -35.71 55.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 114.921 -1.036 . . . . 41.8 110.83 -175.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 60.4 p -69.84 -14.31 62.69 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 113.412 0.893 . . . . 45.83 113.412 -176.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 168' ' ' GLY . . . . . . . . . . . . . . . 99.33 -4.92 58.68 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-O 119.098 -0.835 . . . . 40.12 114.859 -175.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 169' ' ' LYS . . . . . 0.558 ' HD2' H5'' ' D' ' 225' ' ' ' DT' . 0.5 OUTLIER -76.29 143.38 40.92 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.333 1.067 . . . . 61.07 109.8 175.954 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 170' ' ' ILE . . . . . . . . . . . . . 40.1 mm -127.47 142.08 44.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 108.44 -0.948 . . . . 37.56 108.44 -173.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 71.4 t -118.58 132.19 69.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.558 -1.275 . . . . 26.93 107.558 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 172' ' ' ILE . . . . . . . . . . . . . 66.0 mt -127.24 117.41 47.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 107.834 -1.173 . . . . 36.68 107.834 -176.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 173' ' ' THR . . . . . . . . . . . . . 6.4 t -140.0 161.26 38.03 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.48 0.657 . . . . 37.04 109.463 -176.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 107.18 -2.1 35.16 Favored Glycine 0 C--N 1.333 0.415 0 CA-C-O 118.936 -0.925 . . . . 36.65 115.048 179.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.44 142.04 28.69 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 118.803 1.301 . . . . 44.09 111.272 -174.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -99.33 -13.37 19.65 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.703 -0.681 . . . . 55.43 112.421 167.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 177' ' ' MET . . . . . . . . . . . . . 1.3 mtm -132.77 139.51 47.6 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.882 -0.784 . . . . 150.07 108.882 174.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 178' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -64.27 -13.36 49.12 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 113.301 0.852 . . . . 55.36 113.301 -175.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -78.55 -32.02 47.66 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 118.802 0.728 . . . . 76.49 112.157 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -62.27 -38.35 88.96 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.178 -0.609 . . . . 58.44 110.775 172.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 181' ' ' THR . . . . . . . . . . . . . 28.2 m -56.14 -47.01 79.02 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.0 0.429 . . . . 35.02 111.022 172.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -69.72 -43.93 71.36 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.93 -0.308 . . . . 40.26 111.439 -177.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 183' ' ' LYS . . . . . 0.595 ' HG2' ' HD3' ' B' ' 158' ' ' PRO . 3.8 tttm -64.64 -38.7 91.9 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.137 -0.625 . . . . 70.98 111.211 -179.417 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.99 98.4 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.348 -0.541 . . . . 31.19 111.31 178.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 185' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -68.25 -36.52 79.56 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.641 -0.824 . . . . 39.77 111.442 179.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 186' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.12 -29.43 65.25 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.595 -0.842 . . . . 59.84 111.635 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 187' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -70.61 -32.93 70.46 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.188 -0.605 . . . . 42.41 111.81 175.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 188' ' ' ILE . . . . . . . . . . . . . 7.9 tp -86.96 -22.62 6.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 112.88 0.696 . . . . 27.16 112.88 -177.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 189' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.98 -48.95 96.21 Favored Pre-proline 0 C--O 1.244 0.79 0 N-CA-C 113.479 0.918 . . . . 53.75 113.479 -174.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 190' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -65.63 -26.08 54.08 Favored 'Trans proline' 0 C--O 1.238 0.501 0 CA-C-N 121.533 1.583 . . . . 43.9 113.059 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 40.2 t -70.1 -41.67 79.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 120.502 -0.479 . . . . 43.22 110.412 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 192' ' ' LEU . . . . . 0.564 HD22 HD13 ' B' ' 128' ' ' ILE . 76.9 mt -62.92 -50.47 70.74 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 121.825 -0.547 . . . . 38.65 111.265 -179.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 59.2 p -60.44 -30.83 69.89 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.95 -0.7 . . . . 42.99 111.278 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -62.61 -28.88 70.2 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.938 -0.305 . . . . 66.84 111.639 175.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 195' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -109.73 34.01 4.06 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 122.774 0.43 . . . . 39.21 111.856 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 196' ' ' ARG . . . . . 0.596 ' NH2' ' O ' ' B' ' 407' ' ' HOH . 17.9 ttt85 -67.73 128.91 38.22 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.156 -0.312 . . . . 53.83 110.156 176.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 197' ' ' LYS . . . . . 0.457 ' HB3' ' HB2' ' B' ' 127' ' ' PRO . 19.1 ttmt -73.87 114.75 12.52 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.426 -0.583 . . . . 75.64 109.426 176.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 198' ' ' ILE . . . . . . . . . . . . . 50.6 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 43.98 111.044 -177.577 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.259 0 O4'-C1'-N19 108.838 1.297 . . . . 65.68 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 202' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.504 0 O4'-C1'-N19 108.731 1.164 . . . . 47.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 203' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.665 0 O4'-C1'-N19 109.074 1.593 . . . . 41.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.417 -1.444 0 O4'-C4'-C3' 106.673 1.073 . . . . 43.9 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 205' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.177 0 O4'-C4'-C3' 104.375 -1.225 . . . . 46.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 206' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.193 0 O4'-C1'-C2' 107.823 1.566 . . . . 45.5 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 207' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.513 -1.5 0 O4'-C1'-N19 108.858 1.322 . . . . 49.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 208' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.517 -1.097 0 O4'-C1'-C2' 107.404 1.186 . . . . 42.74 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 209' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O4'-C1'-N19 109.076 1.595 . . . . 47.42 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.168 0 C3'-C2'-C1' 100.851 -1.321 . . . . 55.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.491 0 C4'-C3'-C2' 104.788 1.588 . . . . 62.39 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 212' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.413 -1.374 0 N19-C1'-C2' 111.75 -1.531 . . . . 72.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 213' ' ' ' DC' . . . . . 0.643 ' N4 ' ' O6 ' ' D' ' 216' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.412 -1.425 0 O4'-C1'-N19 109.817 2.522 . . . . 83.64 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 214' ' ' ' DA' . . . . . 0.439 ' H8 ' H2'' ' C' ' 213' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.531 1.298 0 O4'-C1'-N19 108.563 0.954 . . . . 88.23 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.399 -1.618 0 O4'-C1'-N19 110.134 2.918 . . . . 78.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 216' ' ' ' DG' . . . . . 0.643 ' O6 ' ' N4 ' ' C' ' 213' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.52 1.141 0 C4'-C3'-C2' 101.729 -1.471 . . . . 71.16 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 217' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.229 0 C4'-C3'-C2' 101.111 -2.089 . . . . 63.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 218' ' ' ' DC' . . . . . 0.46 ' N4 ' ' O3 ' ' D' ' 301' ' ' SO4 . . . . . . . . 0 C4'--C3' 1.516 -1.193 0 C4'-C3'-C2' 100.746 -2.454 . . . . 54.97 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.167 0 O4'-C1'-C2' 107.311 1.101 . . . . 46.66 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.477 0 C4'-C3'-C2' 104.894 1.694 . . . . 52.65 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.246 0 C4'-C3'-C2' 104.396 1.196 . . . . 51.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.128 0 O4'-C1'-C2' 107.478 1.253 . . . . 39.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.534 1.612 0 O4'-C4'-C3' 104.182 -1.418 . . . . 41.16 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 224' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.518 -0.972 0 C4'-C3'-C2' 101.999 -1.201 . . . . 43.17 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 225' ' ' ' DT' . . . . . 0.558 H5'' ' HD2' ' B' ' 169' ' ' LYS . . . . . . . . 0 O5'--C5' 1.416 -1.524 0 O4'-C4'-C3' 103.733 -1.867 . . . . 53.72 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 226' ' ' ' DA' . . . . . 0.947 ' OP2' ' O ' ' D' ' 401' ' ' HOH . . . . . . . . 0 O3'--C3' 1.411 -1.528 0 O4'-C1'-N19 109.707 2.384 . . . . 52.92 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 227' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.533 0 C4'-C3'-C2' 104.751 1.551 . . . . 63.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 228' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.53 1.235 0 O4'-C1'-C2' 107.883 1.621 . . . . 63.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 301' ' ' SO4 . . . . . 0.46 ' O3 ' ' N4 ' ' D' ' 218' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 401' ' ' HOH . . . . . 0.834 ' O ' ' OE2' ' B' ' 131' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 402' ' ' HOH . . . . . 0.714 ' O ' ' O ' ' B' ' 64' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 403' ' ' HOH . . . . . 0.581 ' O ' ' OE1' ' B' ' 144' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 404' ' ' HOH . . . . . 0.653 ' O ' ' N ' ' B' ' 12' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 407' ' ' HOH . . . . . 0.596 ' O ' ' NH2' ' B' ' 196' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 415' ' ' HOH . . . . . 0.433 ' O ' ' NE ' ' B' ' 196' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 446' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 448' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 449' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 450' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 451' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 452' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 401' ' ' HOH . . . . . 0.947 ' O ' ' OP2' ' D' ' 226' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.653 ' N ' ' O ' ' B' ' 404' ' ' HOH . 20.1 t . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.654 0.264 . . . . 66.54 110.45 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -75.64 103.07 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 107.534 -1.284 . . . . 74.61 107.534 173.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.77 -7.73 42.09 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.689 0.626 . . . . 72.75 112.689 -177.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.0 -33.68 44.76 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.33 0.513 . . . . 60.52 111.849 176.825 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -100.76 -8.24 22.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.0 0.741 . . . . 79.41 113.0 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -140.07 72.79 33.27 Favored Pre-proline 0 C--O 1.236 0.36 0 N-CA-C 108.743 -0.836 . . . . 57.07 108.743 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.36 -23.66 56.16 Favored 'Trans proline' 0 C--O 1.238 0.491 0 N-CA-C 113.598 0.576 . . . . 49.71 113.598 -178.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.3 p -71.22 -25.7 62.61 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.794 -0.362 . . . . 49.92 111.837 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.31 1.7 81.02 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-O 119.095 -0.836 . . . . 44.56 114.66 -171.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mt -120.65 131.1 73.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 118.527 1.164 . . . . 44.78 108.746 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.8 t -105.78 122.53 42.24 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 107.845 -1.169 . . . . 53.19 107.845 177.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -64.54 140.37 68.61 Favored 'Trans proline' 0 C--N 1.33 -0.413 0 CA-C-N 118.657 0.556 . . . . 41.6 110.928 173.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -96.61 126.38 41.75 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.418 -0.81 . . . . 50.43 109.291 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.64 133.12 46.39 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.607 -0.437 . . . . 41.83 110.133 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -113.78 -17.39 12.08 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 114.229 1.196 . . . . 39.11 114.229 -173.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -166.81 142.29 4.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.315 -0.994 . . . . 35.64 108.315 -174.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 4.4 mt -139.58 133.61 37.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.513 -0.921 . . . . 36.21 108.513 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 35.9 t -108.04 133.7 52.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 107.681 -1.229 . . . . 30.74 107.681 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.8 p -141.19 151.65 43.99 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.212 -0.662 . . . . 46.25 109.212 -179.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 46.2 p -121.5 152.71 38.85 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.498 -0.774 . . . . 49.22 109.939 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.5 p -157.55 151.62 7.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.465 -1.309 . . . . 39.57 107.465 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.525 ' ND2' ' H ' ' B' ' 35' ' ' ASP . 0.9 OUTLIER -111.51 114.76 28.06 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.788 -1.19 . . . . 54.22 107.788 178.974 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.56 -13.1 62.15 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.219 -0.446 . . . . 54.8 112.083 172.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.525 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 8.4 t0 56.64 52.04 10.25 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.217 1.007 . . . . 93.07 112.062 172.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 20.7 p -170.95 139.27 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 107.962 -1.125 . . . . 70.13 107.962 169.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -71.63 138.14 48.45 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.566 0.541 . . . . 78.87 110.026 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mt -119.04 145.57 45.77 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.306 0.575 . . . . 53.4 110.947 -173.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -86.41 94.57 9.42 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 107.138 -1.43 . . . . 79.08 107.138 175.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 46.0 mt -61.32 -40.64 94.98 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.984 -0.553 . . . . 51.97 111.246 -177.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -58.96 -38.63 79.51 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 121.041 -0.263 . . . . 83.78 111.257 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.96 -32.28 45.33 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.244 0.461 . . . . 56.81 112.244 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 42.7 mt -65.22 -38.58 83.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.339 -0.545 . . . . 58.0 110.568 -179.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.41 -26.01 62.58 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 121.802 -0.562 . . . . 63.96 111.942 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.96 -42.57 57.37 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.245 -0.582 . . . . 69.18 111.315 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -81.24 -45.38 16.37 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.254 0.465 . . . . 81.08 112.254 -174.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.89 144.34 52.51 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.173 0.511 . . . . 67.52 111.308 -175.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . . . -83.22 -29.1 28.78 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 113.016 0.747 . . . . 86.63 113.016 -171.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -120.56 71.83 0.94 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.42 0.629 . . . . 86.59 109.609 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.84 136.41 25.44 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.039 -0.528 . . . . 61.3 109.733 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.411 ' HG3' ' HB ' ' B' ' 61' ' ' ILE . 8.2 pt-20 -119.11 153.38 34.9 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.684 -0.858 . . . . 84.57 108.684 173.397 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.533 ' HB2' HG22 ' B' ' 60' ' ' VAL . 28.7 t80 -156.38 104.3 2.2 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.225 -1.028 . . . . 62.31 108.225 -176.548 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -117.5 94.18 44.94 Favored Pre-proline 0 C--O 1.242 0.664 0 N-CA-C 106.928 -1.508 . . . . 69.11 106.928 172.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.43 -25.41 70.76 Favored 'Trans proline' 0 C--O 1.238 0.515 0 N-CA-C 113.537 0.553 . . . . 56.08 113.537 -177.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.463 ' HD2' ' HA ' ' B' ' 55' ' ' LYS . 4.4 mmmt -69.55 -26.3 64.43 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.215 -0.594 . . . . 80.65 111.517 176.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttt85 -89.6 -51.0 5.75 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.534 0.334 . . . . 81.46 111.862 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -152.05 140.76 20.87 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.137 -0.69 . . . . 44.82 109.137 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.48 51.65 1.7 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.986 -0.552 . . . . 51.31 111.976 -174.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.443 ' HB2' ' CE2' ' B' ' 74' ' ' PHE . . . -155.81 149.97 25.58 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.651 -0.5 . . . . 47.0 109.651 -177.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.533 HG22 ' HB2' ' B' ' 52' ' ' TYR . 11.1 t -82.26 130.32 35.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 108.372 -0.973 . . . . 43.32 108.372 168.406 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.411 ' HB ' ' HG3' ' B' ' 51' ' ' GLU . 87.0 mt -100.89 113.38 36.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 N-CA-C 107.486 -1.302 . . . . 43.03 107.486 177.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 44.0 ttm -128.14 143.66 51.07 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.316 -0.624 . . . . 57.05 109.316 -176.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -129.19 149.01 51.17 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.124 -0.489 . . . . 51.83 109.99 -177.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.714 ' O ' ' O ' ' B' ' 402' ' ' HOH . 25.7 pt -123.65 161.76 25.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 108.35 -0.981 . . . . 40.77 108.35 172.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -84.65 -44.24 13.63 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.314 -0.857 . . . . 87.9 112.525 -176.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -131.14 116.46 16.69 Favored Pre-proline 0 C--O 1.248 1.01 0 N-CA-C 109.482 -0.562 . . . . 47.88 109.482 -179.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -77.24 149.89 90.5 Favored 'Cis proline' 0 C--N 1.344 0.29 0 C-N-CA 121.972 -2.095 . . . . 35.47 111.068 -5.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -60.54 101.79 0.15 Allowed 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.497 0.498 . . . . 61.98 110.771 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 21.6 p -142.35 169.93 16.66 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.71 0.767 . . . . 44.8 109.507 -177.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 53.5 m -130.09 132.38 46.13 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.405 -0.961 . . . . 40.34 108.405 172.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.429 ' HB2' ' CE2' ' B' ' 97' ' ' TYR . . . -111.92 141.07 46.03 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 122.673 0.389 . . . . 32.9 110.674 -179.608 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 58.7 mt -109.42 111.97 23.81 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.199 -1.408 . . . . 35.73 107.199 171.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -110.01 126.54 67.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 108.439 -0.949 . . . . 41.27 108.439 -175.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' B' ' 59' ' ' ALA . 63.1 m-85 -111.61 157.01 20.92 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.667 0.746 . . . . 36.42 110.696 -174.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.5 -25.34 67.43 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.158 -0.928 . . . . 39.83 111.703 -177.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 83.9 p -67.98 -14.65 63.13 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.719 0.637 . . . . 51.57 112.719 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.37 -11.16 56.77 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 119.121 -0.821 . . . . 47.15 114.53 -175.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -76.35 157.09 32.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.247 1.023 . . . . 56.71 110.419 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 55.5 ttp -143.79 140.0 29.67 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.503 -0.771 . . . . 49.75 110.372 -177.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 59.8 t -115.86 135.34 56.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 107.868 -1.16 . . . . 35.72 107.868 173.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 53.6 t -122.03 123.93 42.79 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 108.706 -0.85 . . . . 48.98 108.706 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.4 p -127.71 157.21 40.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.417 0.627 . . . . 43.0 110.159 -176.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.92 -16.99 55.4 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 115.554 0.982 . . . . 30.98 115.554 169.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.62 160.55 27.64 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.465 1.133 . . . . 36.83 111.18 -174.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -102.09 -10.91 19.27 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.537 0.94 . . . . 49.45 113.537 -176.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 22.6 p -145.82 158.25 43.87 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.337 -0.986 . . . . 35.87 108.337 177.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -61.21 -36.18 79.19 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.387 -0.824 . . . . 48.8 111.076 177.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.25 -36.03 68.95 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.501 -0.479 . . . . 78.42 111.454 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -64.14 -39.55 94.26 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.311 -0.556 . . . . 58.63 111.078 173.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 30.9 t -65.87 -41.67 91.33 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.185 -0.606 . . . . 37.12 111.204 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -66.31 -39.29 89.2 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.557 -0.457 . . . . 62.82 111.071 175.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 7.4 ttp -63.1 -48.23 79.47 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.942 0.401 . . . . 58.2 111.172 179.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.06 89.25 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.442 -0.503 . . . . 36.83 111.177 178.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.92 89.21 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.937 -0.305 . . . . 35.37 111.407 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -71.44 -25.41 62.3 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 120.201 -0.599 . . . . 80.35 112.423 175.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -68.87 -43.31 75.61 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.887 -0.725 . . . . 38.92 110.9 174.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 62.0 m-85 -63.58 -40.45 97.0 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.567 -0.453 . . . . 36.45 111.182 176.643 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.42 -42.59 99.56 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.558 -0.457 . . . . 49.76 111.274 -178.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -67.14 -34.92 78.61 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.353 -0.539 . . . . 85.76 111.381 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.4 mt -57.26 -41.9 79.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 120.98 0.419 . . . . 48.62 110.366 173.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.99 -33.36 60.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 121.905 -0.497 . . . . 43.93 110.947 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -69.44 -40.81 77.0 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 121.765 -0.585 . . . . 59.58 111.451 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -66.67 -13.13 60.85 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.639 0.607 . . . . 68.79 112.639 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 93.4 mt -92.23 1.87 56.96 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.587 0.588 . . . . 55.8 112.587 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.27 5.63 34.55 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 116.285 1.274 . . . . 61.02 116.285 174.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -101.19 137.47 19.7 Favored Pre-proline 0 C--O 1.237 0.409 0 C-N-CA 115.44 -2.504 . . . . 61.0 111.137 -175.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -77.49 70.2 6.94 Favored 'Trans proline' 0 N--CA 1.479 0.66 0 C-N-CA 121.626 1.551 . . . . 68.41 112.118 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.68 149.9 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.525 -0.734 . . . . 56.14 111.018 -175.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -125.12 -166.44 1.54 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.277 -0.874 . . . . 89.84 109.6 174.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -135.81 74.02 1.49 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 122.174 0.987 . . . . 51.11 108.353 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -101.33 127.36 47.98 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.996 -0.547 . . . . 79.77 110.701 -171.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 61.54 50.02 4.79 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.451 0.701 . . . . 68.63 112.06 169.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.68 139.2 57.94 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.881 -0.599 . . . . 42.87 109.731 170.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -154.83 128.61 8.68 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.416 -0.514 . . . . 51.97 110.367 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 9.1 mm -72.54 128.43 35.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 108.869 -0.789 . . . . 44.65 108.869 170.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -107.41 -32.47 7.72 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 113.914 1.079 . . . . 36.72 113.914 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -154.49 144.15 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.37 -0.604 . . . . 39.36 109.37 -179.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 96.1 mt -129.47 131.69 67.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 108.002 -1.111 . . . . 35.89 108.002 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 34.8 t -114.4 126.43 71.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 108.65 -0.87 . . . . 41.0 108.65 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . -128.74 160.19 22.25 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.731 -0.948 . . . . 33.18 110.731 176.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 84.1 p -145.61 156.32 43.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.153 -0.684 . . . . 44.39 109.153 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' CYS . . . . . . . . . . . . . 1.7 p -157.4 -176.67 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.823 -0.806 . . . . 58.21 108.823 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -141.74 115.86 9.36 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 108.007 -1.109 . . . . 45.45 108.007 -171.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.76 -8.73 11.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 112.468 0.544 . . . . 40.27 112.468 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 10.3 mttt 66.19 29.84 9.55 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.7 0.8 . . . . 76.64 112.781 169.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' B' ' 196' ' ' ARG . 12.0 p90 -152.48 151.44 27.13 Favored Pre-proline 0 C--O 1.238 0.465 0 N-CA-C 108.611 -0.885 . . . . 42.98 108.611 168.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' PRO . . . . . 0.457 ' HB2' ' HB3' ' B' ' 197' ' ' LYS . 23.1 Cg_exo -69.06 154.68 70.11 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 120.301 0.667 . . . . 43.61 111.773 178.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.564 HD13 HD22 ' B' ' 192' ' ' LEU . 71.8 mt -126.59 138.14 55.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.344 -0.844 . . . . 38.17 109.319 -175.184 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -85.54 101.31 12.56 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.204 -1.035 . . . . 75.63 108.204 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 40.3 mt -73.47 -39.21 65.07 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 112.218 0.451 . . . . 35.68 112.218 -173.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.834 ' OE2' ' O ' ' B' ' 401' ' ' HOH . 1.0 OUTLIER -71.99 -32.85 67.61 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.938 -0.705 . . . . 79.27 111.673 -177.812 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.19 -41.05 98.5 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 119.723 -1.227 . . . . 42.91 111.677 170.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.29 -47.8 84.45 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 122.351 -0.499 . . . . 35.9 110.865 175.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.43 -30.64 70.7 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 111.952 0.352 . . . . 35.14 111.952 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -72.13 -41.45 67.15 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.338 -0.545 . . . . 64.6 111.795 -174.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 29.9 p -96.99 1.58 50.46 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.096 0.776 . . . . 54.78 113.096 -175.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -134.81 38.49 3.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.252 0.549 . . . . 48.3 109.781 174.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.36 70.45 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.127 0.418 . . . . 43.18 112.127 -173.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.88 -25.32 64.98 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.528 0.566 . . . . 42.98 112.528 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' PHE . . . . . 0.577 ' HE1' ' HD2' ' B' ' 156' ' ' LYS . 45.1 m-85 -109.83 -24.44 10.86 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 114.051 1.13 . . . . 49.8 114.051 -178.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 2.8 p -105.85 158.69 16.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.916 0.865 . . . . 43.68 111.717 -165.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 39.3 m -140.6 116.41 10.32 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 107.669 -1.234 . . . . 43.33 107.669 173.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -121.25 115.48 23.08 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.063 -0.717 . . . . 40.62 109.063 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' GLU . . . . . 0.581 ' OE1' ' O ' ' B' ' 403' ' ' HOH . 0.6 OUTLIER -138.28 81.01 26.62 Favored Pre-proline 0 C--O 1.238 0.466 0 N-CA-C 108.137 -1.06 . . . . 78.83 108.137 179.077 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -62.03 -21.63 72.75 Favored 'Trans proline' 0 C--O 1.238 0.49 0 N-CA-C 114.773 1.028 . . . . 57.44 114.773 -167.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -19.5 31.01 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 119.298 0.954 . . . . 100.43 112.255 177.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 9.7 tp -90.58 -44.91 9.24 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 120.052 -0.659 . . . . 57.41 112.061 170.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -147.84 130.5 7.84 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 108.234 -1.025 . . . . 42.9 108.234 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.07 -1.44 10.04 Favored 'Trans proline' 0 C--O 1.234 0.325 0 N-CA-C 114.977 1.107 . . . . 31.38 114.977 -173.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -112.29 150.46 18.22 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 119.753 1.161 . . . . 32.93 111.647 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.71 133.74 35.38 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.648 -0.501 . . . . 37.23 109.648 176.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 16.2 mm -93.53 114.87 31.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 107.75 -1.204 . . . . 41.82 107.75 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -109.27 114.84 28.87 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.614 -0.884 . . . . 40.82 108.614 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -99.13 94.99 6.8 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.26 -1.015 . . . . 50.2 108.26 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' MET . . . . . . . . . . . . . 36.5 ttm -76.26 136.57 39.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.039 -0.528 . . . . 43.2 110.262 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' LYS . . . . . 0.577 ' HD2' ' HE1' ' B' ' 140' ' ' PHE . 8.9 mttm -87.52 -40.01 14.66 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.57 0.582 . . . . 73.18 112.57 -179.958 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' VAL . . . . . . . . . . . . . 89.6 t -126.49 102.63 26.09 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 109.391 -0.596 . . . . 46.6 109.391 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' PRO . . . . . 0.595 ' HD3' ' HG2' ' B' ' 183' ' ' LYS . 85.7 Cg_endo -79.8 162.78 84.4 Favored 'Cis proline' 0 C--N 1.343 0.276 0 C-N-CA 125.028 -0.822 . . . . 37.0 110.627 -4.772 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -71.67 98.17 1.87 Allowed 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.669 -0.863 . . . . 62.52 108.669 -175.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' ILE . . . . . . . . . . . . . 9.2 mm -141.8 144.43 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 107.604 -1.258 . . . . 47.54 107.604 -175.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 161' ' ' VAL . . . . . . . . . . . . . 62.0 t -107.26 132.27 55.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 108.244 -1.021 . . . . 28.8 108.244 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 162' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.72 138.67 53.16 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.292 -0.632 . . . . 30.89 109.292 179.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 6.1 mt -108.46 118.92 38.02 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 107.387 -1.338 . . . . 31.59 107.387 172.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 164' ' ' ILE . . . . . . . . . . . . . 45.3 mt -113.59 131.97 63.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 108.425 -0.954 . . . . 32.32 108.425 -174.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 165' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -119.83 160.03 23.43 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.405 0.621 . . . . 30.07 110.555 -174.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 166' ' ' VAL . . . . . . . . . . . . . 52.0 t -58.52 -35.71 55.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 114.921 -1.036 . . . . 41.8 110.83 -175.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 60.4 p -69.84 -14.31 62.69 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 113.412 0.893 . . . . 45.83 113.412 -176.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 168' ' ' GLY . . . . . . . . . . . . . . . 99.33 -4.92 58.68 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-O 119.098 -0.835 . . . . 40.12 114.859 -175.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.558 ' HD2' H5'' ' D' ' 225' ' ' ' DT' . 0.5 OUTLIER -76.29 143.38 40.92 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.333 1.067 . . . . 61.07 109.8 175.954 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 170' ' ' ILE . . . . . . . . . . . . . 40.1 mm -127.47 142.08 44.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 108.44 -0.948 . . . . 37.56 108.44 -173.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 71.4 t -118.58 132.19 69.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.558 -1.275 . . . . 26.93 107.558 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 172' ' ' ILE . . . . . . . . . . . . . 66.0 mt -127.24 117.41 47.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 107.834 -1.173 . . . . 36.68 107.834 -176.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 173' ' ' THR . . . . . . . . . . . . . 6.4 t -140.0 161.26 38.03 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.48 0.657 . . . . 37.04 109.463 -176.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 174' ' ' GLY . . . . . . . . . . . . . . . 107.18 -2.1 35.16 Favored Glycine 0 C--N 1.333 0.415 0 CA-C-O 118.936 -0.925 . . . . 36.65 115.048 179.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.44 142.04 28.69 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 118.803 1.301 . . . . 44.09 111.272 -174.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 176' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -99.33 -13.37 19.65 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.703 -0.681 . . . . 55.43 112.421 167.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 177' ' ' MET . . . . . . . . . . . . . 1.3 mtm -132.77 139.51 47.6 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.882 -0.784 . . . . 150.07 108.882 174.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 178' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -64.27 -13.36 49.12 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 113.301 0.852 . . . . 55.36 113.301 -175.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -78.55 -32.02 47.66 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 118.802 0.728 . . . . 76.49 112.157 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -62.27 -38.35 88.96 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.178 -0.609 . . . . 58.44 110.775 172.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 181' ' ' THR . . . . . . . . . . . . . 28.2 m -56.14 -47.01 79.02 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.0 0.429 . . . . 35.02 111.022 172.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -69.72 -43.93 71.36 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.93 -0.308 . . . . 40.26 111.439 -177.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 183' ' ' LYS . . . . . 0.595 ' HG2' ' HD3' ' B' ' 158' ' ' PRO . 3.8 tttm -64.64 -38.7 91.9 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.137 -0.625 . . . . 70.98 111.211 -179.417 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.99 98.4 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.348 -0.541 . . . . 31.19 111.31 178.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 185' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -68.25 -36.52 79.56 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.641 -0.824 . . . . 39.77 111.442 179.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 186' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.12 -29.43 65.25 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.595 -0.842 . . . . 59.84 111.635 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 187' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -70.61 -32.93 70.46 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.188 -0.605 . . . . 42.41 111.81 175.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 188' ' ' ILE . . . . . . . . . . . . . 7.9 tp -86.96 -22.62 6.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 112.88 0.696 . . . . 27.16 112.88 -177.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 189' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.98 -48.95 96.21 Favored Pre-proline 0 C--O 1.244 0.79 0 N-CA-C 113.479 0.918 . . . . 53.75 113.479 -174.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 190' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -65.63 -26.08 54.08 Favored 'Trans proline' 0 C--O 1.238 0.501 0 CA-C-N 121.533 1.583 . . . . 43.9 113.059 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 40.2 t -70.1 -41.67 79.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 120.502 -0.479 . . . . 43.22 110.412 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 192' ' ' LEU . . . . . 0.564 HD22 HD13 ' B' ' 128' ' ' ILE . 76.9 mt -62.92 -50.47 70.74 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 121.825 -0.547 . . . . 38.65 111.265 -179.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 59.2 p -60.44 -30.83 69.89 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.95 -0.7 . . . . 42.99 111.278 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -62.61 -28.88 70.2 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.938 -0.305 . . . . 66.84 111.639 175.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 195' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -109.73 34.01 4.06 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 122.774 0.43 . . . . 39.21 111.856 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 196' ' ' ARG . . . . . 0.596 ' NH2' ' O ' ' B' ' 407' ' ' HOH . 17.9 ttt85 -67.73 128.91 38.22 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.156 -0.312 . . . . 53.83 110.156 176.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 197' ' ' LYS . . . . . 0.457 ' HB3' ' HB2' ' B' ' 127' ' ' PRO . 19.1 ttmt -73.87 114.75 12.52 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.426 -0.583 . . . . 75.64 109.426 176.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 198' ' ' ILE . . . . . . . . . . . . . 50.6 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 43.98 111.044 -177.577 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.259 0 O4'-C1'-N19 108.838 1.297 . . . . 65.68 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 202' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.504 0 O4'-C1'-N19 108.731 1.164 . . . . 47.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 203' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.665 0 O4'-C1'-N19 109.074 1.593 . . . . 41.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.417 -1.444 0 O4'-C4'-C3' 106.673 1.073 . . . . 43.9 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 205' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.177 0 O4'-C4'-C3' 104.375 -1.225 . . . . 46.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 206' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.193 0 O4'-C1'-C2' 107.823 1.566 . . . . 45.5 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 207' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.513 -1.5 0 O4'-C1'-N19 108.858 1.322 . . . . 49.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 208' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.517 -1.097 0 O4'-C1'-C2' 107.404 1.186 . . . . 42.74 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 209' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O4'-C1'-N19 109.076 1.595 . . . . 47.42 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 210' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.168 0 C3'-C2'-C1' 100.851 -1.321 . . . . 55.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 211' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.491 0 C4'-C3'-C2' 104.788 1.588 . . . . 62.39 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 212' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.413 -1.374 0 N19-C1'-C2' 111.75 -1.531 . . . . 72.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 213' ' ' ' DC' . . . . . 0.643 ' N4 ' ' O6 ' ' D' ' 216' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.412 -1.425 0 O4'-C1'-N19 109.817 2.522 . . . . 83.64 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 214' ' ' ' DA' . . . . . 0.439 ' H8 ' H2'' ' C' ' 213' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.531 1.298 0 O4'-C1'-N19 108.563 0.954 . . . . 88.23 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 215' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.399 -1.618 0 O4'-C1'-N19 110.134 2.918 . . . . 78.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 216' ' ' ' DG' . . . . . 0.643 ' O6 ' ' N4 ' ' C' ' 213' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.52 1.141 0 C4'-C3'-C2' 101.729 -1.471 . . . . 71.16 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 217' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.229 0 C4'-C3'-C2' 101.111 -2.089 . . . . 63.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 218' ' ' ' DC' . . . . . 0.46 ' N4 ' ' O3 ' ' D' ' 301' ' ' SO4 . . . . . . . . 0 C4'--C3' 1.516 -1.193 0 C4'-C3'-C2' 100.746 -2.454 . . . . 54.97 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 219' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.167 0 O4'-C1'-C2' 107.311 1.101 . . . . 46.66 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 220' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.477 0 C4'-C3'-C2' 104.894 1.694 . . . . 52.65 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.246 0 C4'-C3'-C2' 104.396 1.196 . . . . 51.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 222' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.128 0 O4'-C1'-C2' 107.478 1.253 . . . . 39.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 223' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.534 1.612 0 O4'-C4'-C3' 104.182 -1.418 . . . . 41.16 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 224' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.518 -0.972 0 C4'-C3'-C2' 101.999 -1.201 . . . . 43.17 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 225' ' ' ' DT' . . . . . 0.558 H5'' ' HD2' ' B' ' 169' ' ' LYS . . . . . . . . 0 O5'--C5' 1.416 -1.524 0 O4'-C4'-C3' 103.733 -1.867 . . . . 53.72 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 226' ' ' ' DA' . . . . . 0.947 ' OP2' ' O ' ' D' ' 401' ' ' HOH . . . . . . . . 0 O3'--C3' 1.411 -1.528 0 O4'-C1'-N19 109.707 2.384 . . . . 52.92 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 227' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.533 0 C4'-C3'-C2' 104.751 1.551 . . . . 63.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 228' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.53 1.235 0 O4'-C1'-C2' 107.883 1.621 . . . . 63.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 301' ' ' SO4 . . . . . 0.46 ' O3 ' ' N4 ' ' D' ' 218' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 401' ' ' HOH . . . . . 0.834 ' O ' ' OE2' ' B' ' 131' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 402' ' ' HOH . . . . . 0.714 ' O ' ' O ' ' B' ' 64' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 403' ' ' HOH . . . . . 0.581 ' O ' ' OE1' ' B' ' 144' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 404' ' ' HOH . . . . . 0.653 ' O ' ' N ' ' B' ' 12' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 407' ' ' HOH . . . . . 0.596 ' O ' ' NH2' ' B' ' 196' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 415' ' ' HOH . . . . . 0.433 ' O ' ' NE ' ' B' ' 196' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 446' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 448' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 449' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 450' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 451' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 452' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 401' ' ' HOH . . . . . 0.947 ' O ' ' OP2' ' D' ' 226' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_