data_1hh0_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1hh0 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . 0.727 ' HG2' ' H ' ' A' ' 2' ' ' ASP . 14.5 ttt . . . . . 0 CA--C 1.597 2.767 0 CA-C-O 122.438 1.114 . . . . 79.02 110.594 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . 0.727 ' H ' ' HG2' ' A' ' 1' ' ' MET . 0.8 OUTLIER -160.48 -179.89 8.04 Favored 'General case' 0 CA--C 1.585 2.296 0 N-CA-C 103.572 -2.751 . . . . 84.4 103.572 177.101 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . 0.798 ' CG ' ' HD3' ' A' ' 5' ' ' PRO . 1.8 t80 -104.14 141.8 35.6 Favored 'General case' 0 C--O 1.26 1.631 0 N-CA-C 104.44 -2.43 . . . . 86.29 104.44 173.905 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASN . . . . . 0.432 ' H ' ' HD1' ' A' ' 3' ' ' PHE . 31.2 p-10 -100.1 46.42 0.03 OUTLIER Pre-proline 0 N--CA 1.475 0.813 0 N-CA-C 116.299 1.963 . . . . 85.55 116.299 -174.128 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PRO . . . . . 0.798 ' HD3' ' CG ' ' A' ' 3' ' ' PHE . 10.3 Cg_endo -91.44 -19.97 0.78 Allowed 'Trans proline' 0 CA--C 1.5 -1.211 0 C-N-CA 123.103 2.535 . . . . 88.24 109.429 175.888 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . 0.749 ' H ' ' CD ' ' A' ' 5' ' ' PRO . 37.6 m -74.84 -50.78 15.9 Favored 'General case' 0 C--O 1.29 3.214 0 O-C-N 128.31 3.506 . . . . 85.79 117.613 -172.237 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.18 -51.31 10.42 Favored 'General case' 0 C--O 1.249 1.061 0 C-N-CA 118.668 -1.213 . . . . 72.3 111.716 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 11' ' ' GLN 0.387 59.8 t -77.79 -28.9 15.8 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.61 0 N-CA-C 118.181 2.66 . . . . 87.9 118.181 -177.022 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . 0.746 ' CB ' ' O ' ' A' ' 5' ' ' PRO . . . -74.39 -28.54 61.14 Favored 'General case' 1 CA--C 1.63 4.026 0 CA-C-O 124.186 1.946 . . . . 79.4 109.117 176.504 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . 0.767 ' O ' ' HB ' ' A' ' 13' ' ' THR . 69.4 m -54.31 -24.39 18.91 Favored 'General case' 0 C--N 1.292 -1.916 0 C-N-CA 127.542 2.337 . . . . 81.16 114.018 174.169 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 8' ' ' VAL . 27.2 mt-30 -51.69 -33.74 35.44 Favored 'General case' 0 CA--C 1.571 1.785 0 O-C-N 119.121 -2.237 . . . . 90.85 109.361 -173.261 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . 0.91 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 45.9 t -54.87 -28.15 19.73 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 114.977 -1.011 . . . . 85.97 109.333 179.691 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . 0.767 ' HB ' ' O ' ' A' ' 10' ' ' SER . 53.5 m -53.6 -38.31 63.87 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.875 -1.511 . . . . 100.0 107.055 -176.953 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.43 0.9 OUTLIER -75.77 -27.76 58.17 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.535 -0.728 . . . . 96.55 110.91 171.529 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TYR . . . . . 0.91 ' CD1' ' HA ' ' A' ' 12' ' ' VAL . 9.2 m-85 -54.6 -41.29 69.77 Favored 'General case' 0 N--CA 1.513 2.69 0 CA-C-N 119.058 0.845 . . . . 92.86 112.067 -179.653 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . 0.57 HD13 HG13 ' A' ' 12' ' ' VAL . 4.9 mt -78.0 -28.94 15.47 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.913 0 C-N-CA 127.605 2.362 . . . . 87.96 114.548 173.273 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -73.88 -38.04 64.53 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 119.673 -1.892 . . . . 76.19 110.822 -178.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.92 74.57 Favored 'General case' 0 CA--C 1.607 3.155 0 O-C-N 124.411 1.069 . . . . 80.16 113.706 -178.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . 0.997 HG22 ' HA2' ' A' ' 23' ' ' GLY . 4.9 mt -57.57 -28.1 30.93 Favored 'Isoleucine or valine' 0 C--O 1.169 -3.156 0 O-C-N 120.335 -1.478 . . . . 95.12 111.181 177.64 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -53.2 -49.19 67.26 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 123.147 2.703 . . . . 80.05 108.03 -176.349 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.91 -51.57 57.48 Favored 'General case' 0 CA--C 1.565 1.533 0 N-CA-C 117.466 2.395 . . . . 81.62 117.466 -179.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.22 -29.01 48.09 Favored 'General case' 0 N--CA 1.51 2.561 0 CA-C-O 124.065 1.888 . . . . 83.13 113.518 175.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . 0.997 ' HA2' HG22 ' A' ' 19' ' ' ILE . . . -70.09 -37.73 73.03 Favored Glycine 1 CA--C 1.431 -5.175 0 CA-C-N 112.479 -2.146 . . . . 83.77 109.775 -174.307 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . 0.575 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 19.4 t -76.22 -40.39 36.24 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.322 0 O-C-N 126.515 1.95 . . . . 82.28 111.338 176.207 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . 0.746 ' O ' ' HB2' ' A' ' 29' ' ' LEU . . . -52.87 -27.16 28.29 Favored Glycine 0 C--O 1.19 -2.645 0 O-C-N 120.026 -1.671 . . . . 81.01 109.7 178.358 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.5 t -74.51 -50.15 27.95 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.171 0 CA-C-N 120.304 2.052 . . . . 95.71 109.905 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . 0.699 ' O ' ' HB ' ' A' ' 31' ' ' ILE 0.253 4.2 mm? -75.9 -36.62 59.4 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-N 121.221 1.828 . . . . 86.05 108.727 175.626 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . 0.577 ' HB1' ' HA3' ' A' ' 25' ' ' GLY . . . -54.54 -45.89 73.51 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 107.372 -1.344 . . . . 81.55 107.372 177.198 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . 0.746 ' HB2' ' O ' ' A' ' 25' ' ' GLY 0.252 0.7 OUTLIER -77.29 -35.47 55.01 Favored 'General case' 0 CA--C 1.608 3.178 0 O-C-N 124.648 1.217 . . . . 89.2 113.333 175.685 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . 0.569 ' HB1' ' HA ' ' A' ' 27' ' ' LEU . . . -73.67 -51.14 17.68 Favored 'General case' 0 C--N 1.403 2.924 0 O-C-N 119.962 -1.711 . . . . 80.11 107.085 179.497 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . 0.808 ' HA ' ' HB2' ' A' ' 34' ' ' SER . 6.4 mt -56.12 -28.15 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.14 0 CA-C-N 113.869 -1.514 . . . . 81.86 109.405 171.002 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.81 61.92 Favored Glycine 0 C--O 1.186 -2.846 0 C-N-CA 119.049 -1.548 . . . . 82.87 112.355 -174.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . 0.728 ' O ' ' HB2' ' A' ' 37' ' ' TRP 0.277 10.0 mp -76.43 -27.17 56.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.729 0.776 . . . . 93.76 109.754 172.738 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . 0.808 ' HB2' ' HA ' ' A' ' 31' ' ' ILE . 13.3 m -53.76 -49.78 67.48 Favored 'General case' 0 C--O 1.164 -3.409 0 CA-C-O 115.421 -2.228 . . . . 81.71 115.012 -178.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.95 -42.52 48.35 Favored 'General case' 0 CA--C 1.603 3.015 0 CA-C-N 123.693 2.951 . . . . 79.4 111.091 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -61.25 -28.89 69.49 Favored 'General case' 0 CA--C 1.455 -2.686 0 C-N-CA 124.593 1.157 . . . . 81.27 110.507 178.682 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TRP . . . . . 0.883 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 43.0 t-105 -62.57 -35.39 79.34 Favored 'General case' 0 N--CA 1.426 -1.666 0 O-C-N 124.178 0.924 . . . . 56.47 109.414 -179.649 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 2.8 mtmt -63.75 -49.29 73.58 Favored 'General case' 0 C--O 1.203 -1.348 0 C-N-CA 118.937 -1.105 . . . . 82.23 113.885 178.685 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . 0.781 ' C ' ' HD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -75.03 -44.82 45.66 Favored 'General case' 0 N--CA 1.507 2.4 0 CA-C-N 120.587 1.54 . . . . 88.93 112.538 -178.353 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . -61.41 -41.97 98.0 Favored 'General case' 0 N--CA 1.421 -1.924 0 CA-C-N 114.476 -1.238 . . . . 81.78 108.375 -177.147 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . 0.883 ' NZ ' ' HA ' ' A' ' 37' ' ' TRP . 4.0 mmtm -77.18 -36.67 54.87 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 114.873 -1.058 . . . . 94.12 112.131 174.949 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 7.4 mmm180 -76.16 -48.99 18.5 Favored 'General case' 1 N--CA 1.566 5.333 1 N-CA-C 122.179 4.14 . . . . 86.3 122.179 -178.279 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' HD2' ' CG ' ' A' ' 39' ' ' TYR 0.354 52.6 m-85 -72.68 -28.53 62.76 Favored 'General case' 0 C--O 1.184 -2.379 0 N-CA-C 119.112 3.005 . . . . 99.63 119.112 -164.151 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 44' ' ' LEU 0.258 7.5 mt -64.15 -26.5 68.56 Favored 'General case' 0 C--N 1.258 -3.372 0 CA-C-N 120.838 1.653 . . . . 94.39 112.394 176.96 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -53.46 -38.2 63.38 Favored 'General case' 0 N--CA 1.504 2.234 0 C-N-CA 125.028 1.331 . . . . 79.47 113.858 -179.469 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.578 3.971 0 CA-C-O 116.974 -2.014 . . . . 82.84 114.949 178.06 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.57 ' HG2' ' H ' ' A' ' 2' ' ' ASP . 14.5 ttt . . . . . 0 CA--C 1.597 2.767 0 CA-C-O 122.438 1.114 . . . . 79.02 110.594 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . 0.57 ' H ' ' HG2' ' A' ' 1' ' ' MET . 0.8 OUTLIER -160.48 -179.89 8.04 Favored 'General case' 0 CA--C 1.585 2.296 0 N-CA-C 103.572 -2.751 . . . . 25.35 103.572 177.101 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . 0.693 ' CG ' ' HD3' ' A' ' 5' ' ' PRO . 1.8 t80 -104.14 141.8 35.6 Favored 'General case' 0 C--O 1.26 1.631 0 N-CA-C 104.44 -2.43 . . . . 9.24 104.44 173.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASN . . . . . 0.411 ' N ' ' CD1' ' A' ' 3' ' ' PHE . 31.2 p-10 -100.1 46.42 0.03 OUTLIER Pre-proline 0 N--CA 1.475 0.813 0 N-CA-C 116.299 1.963 . . . . 6.7 116.299 -174.128 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PRO . . . . . 0.973 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 10.3 Cg_endo -91.44 -19.97 0.78 Allowed 'Trans proline' 0 CA--C 1.5 -1.211 0 C-N-CA 123.103 2.535 . . . . 8.24 109.429 175.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . 0.593 ' H ' ' CD ' ' A' ' 5' ' ' PRO . 37.6 m -74.84 -50.78 15.9 Favored 'General case' 0 C--O 1.29 3.214 0 O-C-N 128.31 3.506 . . . . 15.16 117.613 -172.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.18 -51.31 10.42 Favored 'General case' 0 C--O 1.249 1.061 0 C-N-CA 118.668 -1.213 . . . . 18.73 111.716 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.387 59.8 t -77.79 -28.9 15.8 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.61 0 N-CA-C 118.181 2.66 . . . . 7.9 118.181 -177.022 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . 0.973 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . -74.39 -28.54 61.14 Favored 'General case' 1 CA--C 1.63 4.026 0 CA-C-O 124.186 1.946 . . . . 4.0 109.117 176.504 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . 0.637 ' O ' ' HB ' ' A' ' 13' ' ' THR . 69.4 m -54.31 -24.39 18.91 Favored 'General case' 0 C--N 1.292 -1.916 0 C-N-CA 127.542 2.337 . . . . 4.0 114.018 174.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.69 -33.74 35.44 Favored 'General case' 0 CA--C 1.571 1.785 0 O-C-N 119.121 -2.237 . . . . 10.85 109.361 -173.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . 0.814 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 45.9 t -54.87 -28.15 19.73 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 114.977 -1.011 . . . . 7.41 109.333 179.691 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . 0.637 ' HB ' ' O ' ' A' ' 10' ' ' SER . 53.5 m -53.6 -38.31 63.87 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.875 -1.511 . . . . 21.03 107.055 -176.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.43 0.9 OUTLIER -75.77 -27.76 58.17 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.535 -0.728 . . . . 17.35 110.91 171.529 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TYR . . . . . 0.814 ' CD1' ' HA ' ' A' ' 12' ' ' VAL . 9.2 m-85 -54.6 -41.29 69.77 Favored 'General case' 0 N--CA 1.513 2.69 0 CA-C-N 119.058 0.845 . . . . 12.86 112.067 -179.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.9 mt -78.0 -28.94 15.47 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.913 0 C-N-CA 127.605 2.362 . . . . 7.96 114.548 173.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -73.88 -38.04 64.53 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 119.673 -1.892 . . . . 4.0 110.822 -178.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.92 74.57 Favored 'General case' 0 CA--C 1.607 3.155 0 O-C-N 124.411 1.069 . . . . 6.86 113.706 -178.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . 1.007 HG23 ' HA3' ' A' ' 23' ' ' GLY . 4.9 mt -57.57 -28.1 30.93 Favored 'Isoleucine or valine' 0 C--O 1.169 -3.156 0 O-C-N 120.335 -1.478 . . . . 15.12 111.181 177.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -53.2 -49.19 67.26 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 123.147 2.703 . . . . 5.85 108.03 -176.349 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.91 -51.57 57.48 Favored 'General case' 0 CA--C 1.565 1.533 0 N-CA-C 117.466 2.395 . . . . 14.15 117.466 -179.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.22 -29.01 48.09 Favored 'General case' 0 N--CA 1.51 2.561 0 CA-C-O 124.065 1.888 . . . . 4.0 113.518 175.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . 1.007 ' HA3' HG23 ' A' ' 19' ' ' ILE . . . -70.09 -37.73 73.03 Favored Glycine 1 CA--C 1.431 -5.175 0 CA-C-N 112.479 -2.146 . . . . 4.0 109.775 -174.307 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . 0.606 HG12 ' HB2' ' A' ' 28' ' ' ALA . 19.4 t -76.22 -40.39 36.24 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.322 0 O-C-N 126.515 1.95 . . . . 4.0 111.338 176.207 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . 0.682 ' O ' ' HB2' ' A' ' 29' ' ' LEU . . . -52.87 -27.16 28.29 Favored Glycine 0 C--O 1.19 -2.645 0 O-C-N 120.026 -1.671 . . . . 4.0 109.7 178.358 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.5 t -74.51 -50.15 27.95 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.171 0 CA-C-N 120.304 2.052 . . . . 15.71 109.905 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . 0.643 ' O ' ' HB ' ' A' ' 31' ' ' ILE 0.253 4.2 mm? -75.9 -36.62 59.4 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-N 121.221 1.828 . . . . 6.05 108.727 175.626 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . 0.606 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -54.54 -45.89 73.51 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 107.372 -1.344 . . . . 4.0 107.372 177.198 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . 0.682 ' HB2' ' O ' ' A' ' 25' ' ' GLY 0.252 0.7 OUTLIER -77.29 -35.47 55.01 Favored 'General case' 0 CA--C 1.608 3.178 0 O-C-N 124.648 1.217 . . . . 9.2 113.333 175.685 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.67 -51.14 17.68 Favored 'General case' 0 C--N 1.403 2.924 0 O-C-N 119.962 -1.711 . . . . 26.22 107.085 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . 0.643 ' HB ' ' O ' ' A' ' 27' ' ' LEU . 6.4 mt -56.12 -28.15 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.14 0 CA-C-N 113.869 -1.514 . . . . 6.1 109.405 171.002 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.81 61.92 Favored Glycine 0 C--O 1.186 -2.846 0 C-N-CA 119.049 -1.548 . . . . 5.35 112.355 -174.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 37' ' ' TRP 0.277 10.0 mp -76.43 -27.17 56.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.729 0.776 . . . . 15.52 109.754 172.738 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . 0.577 ' HB2' ' HA ' ' A' ' 31' ' ' ILE . 13.3 m -53.76 -49.78 67.48 Favored 'General case' 0 C--O 1.164 -3.409 0 CA-C-O 115.421 -2.228 . . . . 4.0 115.012 -178.876 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.95 -42.52 48.35 Favored 'General case' 0 CA--C 1.603 3.015 0 CA-C-N 123.693 2.951 . . . . 4.0 111.091 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -28.89 69.49 Favored 'General case' 0 CA--C 1.455 -2.686 0 C-N-CA 124.593 1.157 . . . . 4.58 110.507 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TRP . . . . . 0.787 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 43.0 t-105 -62.57 -35.39 79.34 Favored 'General case' 0 N--CA 1.426 -1.666 0 O-C-N 124.178 0.924 . . . . 56.47 109.414 -179.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 2.8 mtmt -63.75 -49.29 73.58 Favored 'General case' 0 C--O 1.203 -1.348 0 C-N-CA 118.937 -1.105 . . . . 5.73 113.885 178.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . 0.709 ' C ' ' HD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -75.03 -44.82 45.66 Favored 'General case' 0 N--CA 1.507 2.4 0 CA-C-N 120.587 1.54 . . . . 9.3 112.538 -178.353 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.97 98.0 Favored 'General case' 0 N--CA 1.421 -1.924 0 CA-C-N 114.476 -1.238 . . . . 11.22 108.375 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . 0.787 ' NZ ' ' HA ' ' A' ' 37' ' ' TRP . 4.0 mmtm -77.18 -36.67 54.87 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 114.873 -1.058 . . . . 94.12 112.131 174.949 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 38' ' ' LYS . 7.4 mmm180 -76.16 -48.99 18.5 Favored 'General case' 1 N--CA 1.566 5.333 1 N-CA-C 122.179 4.14 . . . . 9.8 122.179 -178.279 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . 0.354 52.6 m-85 -72.68 -28.53 62.76 Favored 'General case' 0 C--O 1.184 -2.379 0 N-CA-C 119.112 3.005 . . . . 19.63 119.112 -164.151 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.258 7.5 mt -64.15 -26.5 68.56 Favored 'General case' 0 C--N 1.258 -3.372 0 CA-C-N 120.838 1.653 . . . . 14.39 112.394 176.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -38.2 63.38 Favored 'General case' 0 N--CA 1.504 2.234 0 C-N-CA 125.028 1.331 . . . . 6.79 113.858 -179.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.578 3.971 0 CA-C-O 116.974 -2.014 . . . . 21.64 114.949 178.06 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.57 ' HG2' ' H ' ' A' ' 2' ' ' ASP . 14.5 ttt . . . . . 0 CA--C 1.597 2.767 0 CA-C-O 122.438 1.114 . . . . 79.02 110.594 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.57 ' H ' ' HG2' ' A' ' 1' ' ' MET . 0.8 OUTLIER -160.48 -179.89 8.04 Favored 'General case' 0 CA--C 1.585 2.296 0 N-CA-C 103.572 -2.751 . . . . 25.35 103.572 177.101 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.693 ' CG ' ' HD3' ' A' ' 5' ' ' PRO . 1.8 t80 -104.14 141.8 35.6 Favored 'General case' 0 C--O 1.26 1.631 0 N-CA-C 104.44 -2.43 . . . . 9.24 104.44 173.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.411 ' N ' ' CD1' ' A' ' 3' ' ' PHE . 31.2 p-10 -100.1 46.42 0.03 OUTLIER Pre-proline 0 N--CA 1.475 0.813 0 N-CA-C 116.299 1.963 . . . . 6.7 116.299 -174.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.973 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 10.3 Cg_endo -91.44 -19.97 0.78 Allowed 'Trans proline' 0 CA--C 1.5 -1.211 0 C-N-CA 123.103 2.535 . . . . 8.24 109.429 175.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . 0.593 ' H ' ' CD ' ' A' ' 5' ' ' PRO . 37.6 m -74.84 -50.78 15.9 Favored 'General case' 0 C--O 1.29 3.214 0 O-C-N 128.31 3.506 . . . . 15.16 117.613 -172.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.18 -51.31 10.42 Favored 'General case' 0 C--O 1.249 1.061 0 C-N-CA 118.668 -1.213 . . . . 18.73 111.716 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.387 59.8 t -77.79 -28.9 15.8 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.61 0 N-CA-C 118.181 2.66 . . . . 7.9 118.181 -177.022 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.973 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . -74.39 -28.54 61.14 Favored 'General case' 1 CA--C 1.63 4.026 0 CA-C-O 124.186 1.946 . . . . 4.0 109.117 176.504 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . 0.637 ' O ' ' HB ' ' A' ' 13' ' ' THR . 69.4 m -54.31 -24.39 18.91 Favored 'General case' 0 C--N 1.292 -1.916 0 C-N-CA 127.542 2.337 . . . . 4.0 114.018 174.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.69 -33.74 35.44 Favored 'General case' 0 CA--C 1.571 1.785 0 O-C-N 119.121 -2.237 . . . . 10.85 109.361 -173.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.814 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 45.9 t -54.87 -28.15 19.73 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 114.977 -1.011 . . . . 7.41 109.333 179.691 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . 0.637 ' HB ' ' O ' ' A' ' 10' ' ' SER . 53.5 m -53.6 -38.31 63.87 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.875 -1.511 . . . . 21.03 107.055 -176.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.43 0.9 OUTLIER -75.77 -27.76 58.17 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.535 -0.728 . . . . 17.35 110.91 171.529 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.814 ' CD1' ' HA ' ' A' ' 12' ' ' VAL . 9.2 m-85 -54.6 -41.29 69.77 Favored 'General case' 0 N--CA 1.513 2.69 0 CA-C-N 119.058 0.845 . . . . 12.86 112.067 -179.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.9 mt -78.0 -28.94 15.47 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.913 0 C-N-CA 127.605 2.362 . . . . 7.96 114.548 173.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -73.88 -38.04 64.53 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 119.673 -1.892 . . . . 4.0 110.822 -178.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.92 74.57 Favored 'General case' 0 CA--C 1.607 3.155 0 O-C-N 124.411 1.069 . . . . 6.86 113.706 -178.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.007 HG23 ' HA3' ' A' ' 23' ' ' GLY . 4.9 mt -57.57 -28.1 30.93 Favored 'Isoleucine or valine' 0 C--O 1.169 -3.156 0 O-C-N 120.335 -1.478 . . . . 15.12 111.181 177.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -53.2 -49.19 67.26 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 123.147 2.703 . . . . 5.85 108.03 -176.349 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.91 -51.57 57.48 Favored 'General case' 0 CA--C 1.565 1.533 0 N-CA-C 117.466 2.395 . . . . 14.15 117.466 -179.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.22 -29.01 48.09 Favored 'General case' 0 N--CA 1.51 2.561 0 CA-C-O 124.065 1.888 . . . . 4.0 113.518 175.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.007 ' HA3' HG23 ' A' ' 19' ' ' ILE . . . -70.09 -37.73 73.03 Favored Glycine 1 CA--C 1.431 -5.175 0 CA-C-N 112.479 -2.146 . . . . 4.0 109.775 -174.307 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.606 HG12 ' HB2' ' A' ' 28' ' ' ALA . 19.4 t -76.22 -40.39 36.24 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.322 0 O-C-N 126.515 1.95 . . . . 4.0 111.338 176.207 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.682 ' O ' ' HB2' ' A' ' 29' ' ' LEU . . . -52.87 -27.16 28.29 Favored Glycine 0 C--O 1.19 -2.645 0 O-C-N 120.026 -1.671 . . . . 4.0 109.7 178.358 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.5 t -74.51 -50.15 27.95 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.171 0 CA-C-N 120.304 2.052 . . . . 15.71 109.905 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.643 ' O ' ' HB ' ' A' ' 31' ' ' ILE 0.253 4.2 mm? -75.9 -36.62 59.4 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-N 121.221 1.828 . . . . 6.05 108.727 175.626 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.606 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -54.54 -45.89 73.51 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 107.372 -1.344 . . . . 4.0 107.372 177.198 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.682 ' HB2' ' O ' ' A' ' 25' ' ' GLY 0.252 0.7 OUTLIER -77.29 -35.47 55.01 Favored 'General case' 0 CA--C 1.608 3.178 0 O-C-N 124.648 1.217 . . . . 9.2 113.333 175.685 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.67 -51.14 17.68 Favored 'General case' 0 C--N 1.403 2.924 0 O-C-N 119.962 -1.711 . . . . 26.22 107.085 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.643 ' HB ' ' O ' ' A' ' 27' ' ' LEU . 6.4 mt -56.12 -28.15 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.14 0 CA-C-N 113.869 -1.514 . . . . 6.1 109.405 171.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.81 61.92 Favored Glycine 0 C--O 1.186 -2.846 0 C-N-CA 119.049 -1.548 . . . . 5.35 112.355 -174.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 37' ' ' TRP 0.277 10.0 mp -76.43 -27.17 56.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.729 0.776 . . . . 15.52 109.754 172.738 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . 0.577 ' HB2' ' HA ' ' A' ' 31' ' ' ILE . 13.3 m -53.76 -49.78 67.48 Favored 'General case' 0 C--O 1.164 -3.409 0 CA-C-O 115.421 -2.228 . . . . 4.0 115.012 -178.876 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.95 -42.52 48.35 Favored 'General case' 0 CA--C 1.603 3.015 0 CA-C-N 123.693 2.951 . . . . 4.0 111.091 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -28.89 69.49 Favored 'General case' 0 CA--C 1.455 -2.686 0 C-N-CA 124.593 1.157 . . . . 4.58 110.507 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.787 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 43.0 t-105 -62.57 -35.39 79.34 Favored 'General case' 0 N--CA 1.426 -1.666 0 O-C-N 124.178 0.924 . . . . 56.47 109.414 -179.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 2.8 mtmt -63.75 -49.29 73.58 Favored 'General case' 0 C--O 1.203 -1.348 0 C-N-CA 118.937 -1.105 . . . . 5.73 113.885 178.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.709 ' C ' ' HD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -75.03 -44.82 45.66 Favored 'General case' 0 N--CA 1.507 2.4 0 CA-C-N 120.587 1.54 . . . . 9.3 112.538 -178.353 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.97 98.0 Favored 'General case' 0 N--CA 1.421 -1.924 0 CA-C-N 114.476 -1.238 . . . . 11.22 108.375 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.787 ' NZ ' ' HA ' ' A' ' 37' ' ' TRP . 4.0 mmtm -77.18 -36.67 54.87 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 114.873 -1.058 . . . . 94.12 112.131 174.949 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 38' ' ' LYS . 7.4 mmm180 -76.16 -48.99 18.5 Favored 'General case' 1 N--CA 1.566 5.333 1 N-CA-C 122.179 4.14 . . . . 9.8 122.179 -178.279 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . 0.354 52.6 m-85 -72.68 -28.53 62.76 Favored 'General case' 0 C--O 1.184 -2.379 0 N-CA-C 119.112 3.005 . . . . 19.63 119.112 -164.151 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.258 7.5 mt -64.15 -26.5 68.56 Favored 'General case' 0 C--N 1.258 -3.372 0 CA-C-N 120.838 1.653 . . . . 14.39 112.394 176.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.46 -38.2 63.38 Favored 'General case' 0 N--CA 1.504 2.234 0 C-N-CA 125.028 1.331 . . . . 6.79 113.858 -179.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.578 3.971 0 CA-C-O 116.974 -2.014 . . . . 21.64 114.949 178.06 . . . . . . . . 0 0 . 1 stop_ save_