data_5aef_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 5aef _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 ' 15' ' ' GLN . . . . . 1.387 ' CB ' ' CB ' ' A' ' 17' ' ' LEU . 21.2 mp0 . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . 0.676 ' N ' ' N ' ' A' ' 15' ' ' GLN . 1.6 mptm? -119.16 127.12 53.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.036 1.334 . . . . 0.0 109.449 162.674 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . 1.387 ' CB ' ' CB ' ' A' ' 15' ' ' GLN . 74.8 mt -136.0 140.45 43.92 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.482 0.713 . . . . 0.0 109.876 167.576 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.2 t -107.2 132.87 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.79 1.636 . . . . 0.0 107.738 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PHE . . . . . 0.631 ' CE2' ' C ' ' B' ' 42' ' ' ALA . 43.0 p90 -134.43 136.93 43.61 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.749 1.388 . . . . 0.0 114.749 -172.373 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -132.21 118.77 19.96 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.28 2.232 . . . . 0.0 108.285 172.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.94 133.96 51.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.232 1.013 . . . . 0.0 112.102 -177.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -126.92 115.26 18.99 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.5 1.92 . . . . 0.0 106.906 169.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . 0.681 ' OD2' ' CG1' ' B' ' 41' ' ' ILE . 0.5 OUTLIER -150.9 147.09 26.78 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.396 1.078 . . . . 0.0 111.351 171.591 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.15 124.7 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.681 0.753 . . . . 0.0 110.122 -175.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.57 115.8 5.4 Favored Glycine 0 C--N 1.337 0.599 0 C-N-CA 126.4 1.952 . . . . 0.0 108.833 171.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . 0.284 8.7 t -149.45 131.26 15.1 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.421 1.11 . . . . 0.0 112.077 -154.899 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -168.39 156.13 8.14 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -149.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -148.43 149.26 31.41 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.273 -1.517 . . . . 0.0 110.81 164.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.76 153.74 11.09 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.079 0.847 . . . . 0.0 115.116 -175.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.87 129.25 34.33 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.691 1.597 . . . . 0.0 107.836 162.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . . . -140.21 150.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.263 1.025 . . . . 0.0 110.014 -173.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -131.62 129.09 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.842 1.257 . . . . 0.0 108.77 172.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.01 125.26 4.85 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 126.226 1.869 . . . . 0.0 110.457 176.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.8 mt -142.96 108.95 5.19 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.429 0.692 . . . . 0.0 110.05 172.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -122.86 120.76 34.46 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 159.279 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.378 24.6 m -141.04 142.98 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 1 C-N-CA 136.367 5.867 . . . . 0.0 120.439 162.283 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.97 40.33 0.96 Allowed Glycine 0 N--CA 1.467 0.725 0 C-N-CA 128.243 2.83 . . . . 0.0 108.14 -174.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.42 157.21 26.9 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.426 0.536 . . . . 0.0 113.086 -164.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . 0.738 ' CA ' ' CG1' ' A' ' 41' ' ' ILE . 66.8 t -137.9 160.3 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.528 1.931 . . . . 0.0 109.674 -173.166 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 1 C--O 9.717 446.733 1 CA-C-O 67.514 -25.041 . . . . 0.0 110.32 178.884 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . 0.738 ' CG1' ' CA ' ' A' ' 39' ' ' VAL . . . . . . . . 1 C--O 7.341 321.668 1 CA-C-O 49.313 -33.708 . . . . 0.0 113.247 . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLN . . . . . 1.283 ' CB ' ' CB ' ' B' ' 17' ' ' LEU . 28.8 mp0 . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 119.81 -0.138 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -117.53 134.51 54.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.891 1.276 . . . . 0.0 108.182 155.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . 1.283 ' CB ' ' CB ' ' B' ' 15' ' ' GLN . 79.1 mt -111.22 127.07 55.49 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 159.682 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.85 121.75 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 163.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -126.72 132.35 51.15 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.247 1.019 . . . . 0.0 112.057 179.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -122.58 119.46 30.9 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 159.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.4 127.96 53.67 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.733 1.213 . . . . 0.0 109.8 -176.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -120.68 120.81 36.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 172.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . 0.28 0.2 OUTLIER -154.04 159.7 41.69 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.339 1.056 . . . . 0.0 110.604 174.924 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -152.97 137.46 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 O-C-N 120.5 -1.375 . . . . 0.0 111.802 -169.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.41 109.94 1.13 Allowed Glycine 0 N--CA 1.469 0.887 0 C-N-CA 125.229 1.395 . . . . 0.0 111.318 173.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -147.59 136.3 21.92 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.489 1.116 . . . . 0.0 112.086 -169.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -165.32 161.13 18.88 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -156.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -148.81 147.45 28.78 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.83 1.252 . . . . 0.0 110.74 169.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.27 158.85 19.47 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 124.89 1.233 . . . . 0.0 115.816 -173.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.95 134.98 35.42 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.309 1.844 . . . . 0.0 110.286 174.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . . . -139.83 146.28 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.34 1.056 . . . . 0.0 111.078 -165.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . . . -132.6 109.12 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 160.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.27 109.52 2.55 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 164.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 19.1 mt -123.34 119.1 29.08 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 174.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -134.21 120.46 20.07 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 165.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . 0.388 22.5 m -144.37 140.26 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 1 C-N-CA 136.324 5.85 . . . . 0.0 120.517 166.677 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.76 58.8 0.42 Allowed Glycine 0 N--CA 1.472 1.094 0 C-N-CA 126.975 2.226 . . . . 0.0 108.771 -166.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLY . . . . . 0.963 ' O ' ' CG1' ' B' ' 41' ' ' ILE . . . 114.76 160.01 12.79 Favored Glycine 0 N--CA 1.463 0.478 0 CA-C-O 119.628 -0.54 . . . . 0.0 113.078 -168.346 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' VAL . . . . . 1.264 ' CA ' ' O ' ' B' ' 41' ' ' ILE . 52.1 t -143.7 152.55 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 126.553 1.941 . . . . 0.0 108.484 178.543 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 C--O 9.621 441.693 1 CA-C-O 55.684 -30.674 . . . . 0.0 111.044 -170.356 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ILE . . . . . 1.264 ' O ' ' CA ' ' B' ' 39' ' ' VAL . . . . . . . . 1 C--O 4.181 155.357 1 CA-C-O 31.803 -42.046 . . . . 0.0 115.418 . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ALA . . . . . 1.164 ' N ' ' CG1' ' B' ' 41' ' ' ILE . . . . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . 1.476 ' HB3' ' CB ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . 0.676 ' N ' ' N ' ' A' ' 15' ' ' GLN . 1.6 mptm? -119.16 127.12 53.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.036 1.334 . . . . 0.0 109.449 162.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . 1.476 ' CB ' ' HB3' ' A' ' 15' ' ' GLN . 74.8 mt -136.0 140.45 43.92 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.482 0.713 . . . . 0.0 109.876 167.576 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.2 t -107.2 132.87 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.79 1.636 . . . . 0.0 107.738 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PHE . . . . . 0.677 ' HE2' ' C ' ' B' ' 42' ' ' ALA . 43.0 p90 -134.43 136.93 43.61 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.749 1.388 . . . . 0.0 114.749 -172.373 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -132.21 118.77 19.96 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.28 2.232 . . . . 0.0 108.285 172.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.94 133.96 51.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.232 1.013 . . . . 0.0 112.102 -177.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -126.92 115.26 18.99 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.5 1.92 . . . . 0.0 106.906 169.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . 0.681 ' OD2' ' CG1' ' B' ' 41' ' ' ILE . 0.5 OUTLIER -150.9 147.09 26.78 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.396 1.078 . . . . 0.0 111.351 171.591 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.15 124.7 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.681 0.753 . . . . 0.0 110.122 -175.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.57 115.8 5.4 Favored Glycine 0 C--N 1.337 0.599 0 C-N-CA 126.4 1.952 . . . . 0.0 108.833 171.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . 0.284 8.7 t -149.45 131.26 15.1 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.421 1.11 . . . . 0.0 112.077 -154.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -168.39 156.13 8.14 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -149.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -148.43 149.26 31.41 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.273 -1.517 . . . . 0.0 110.81 164.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.76 153.74 11.09 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.079 0.847 . . . . 0.0 115.116 -175.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.87 129.25 34.33 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.691 1.597 . . . . 0.0 107.836 162.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . . . -140.21 150.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.263 1.025 . . . . 0.0 110.014 -173.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -131.62 129.09 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.842 1.257 . . . . 0.0 108.77 172.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.01 125.26 4.85 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 126.226 1.869 . . . . 0.0 110.457 176.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.8 mt -142.96 108.95 5.19 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.429 0.692 . . . . 0.0 110.05 172.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' MET . . . . . 0.497 ' SD ' HG21 ' B' ' 31' ' ' ILE . 0.9 OUTLIER -122.86 120.76 34.46 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 159.279 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.378 24.6 m -141.04 142.98 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 1 C-N-CA 136.367 5.867 . . . . 0.0 120.439 162.283 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.97 40.33 0.96 Allowed Glycine 0 N--CA 1.467 0.725 0 C-N-CA 128.243 2.83 . . . . 0.0 108.14 -174.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' B' ' 25' ' ' GLY . . . 101.42 157.21 26.9 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.426 0.536 . . . . 0.0 113.086 -164.048 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . 0.951 ' HA ' HG21 ' A' ' 41' ' ' ILE . 66.8 t -137.9 160.3 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.528 1.931 . . . . 0.0 109.674 -173.166 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . 0.725 ' H ' HG21 ' A' ' 41' ' ' ILE . 1.4 t . . . . . 1 C--O 9.717 446.733 1 CA-C-O 67.514 -25.041 . . . . 0.0 110.32 178.884 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . 0.951 HG21 ' HA ' ' A' ' 39' ' ' VAL . . . . . . . . 1 C--O 7.341 321.668 1 CA-C-O 49.313 -33.708 . . . . 0.0 113.247 . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLN . . . . . 1.589 ' CB ' ' HB2' ' B' ' 17' ' ' LEU . 28.8 mp0 . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 119.81 -0.138 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -117.53 134.51 54.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.891 1.276 . . . . 0.0 108.182 155.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . 1.589 ' HB2' ' CB ' ' B' ' 15' ' ' GLN . 79.1 mt -111.22 127.07 55.49 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 159.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.85 121.75 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 163.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -126.72 132.35 51.15 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.247 1.019 . . . . 0.0 112.057 179.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -122.58 119.46 30.9 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 159.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.4 127.96 53.67 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.733 1.213 . . . . 0.0 109.8 -176.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -120.68 120.81 36.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 172.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . 0.28 0.2 OUTLIER -154.04 159.7 41.69 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.339 1.056 . . . . 0.0 110.604 174.924 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -152.97 137.46 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 O-C-N 120.5 -1.375 . . . . 0.0 111.802 -169.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 38' ' ' GLY . . . -127.41 109.94 1.13 Allowed Glycine 0 N--CA 1.469 0.887 0 C-N-CA 125.229 1.395 . . . . 0.0 111.318 173.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -147.59 136.3 21.92 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.489 1.116 . . . . 0.0 112.086 -169.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -165.32 161.13 18.88 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -156.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -148.81 147.45 28.78 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.83 1.252 . . . . 0.0 110.74 169.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.27 158.85 19.47 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 124.89 1.233 . . . . 0.0 115.816 -173.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.95 134.98 35.42 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.309 1.844 . . . . 0.0 110.286 174.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ILE . . . . . 0.497 HG21 ' SD ' ' A' ' 35' ' ' MET . . . -139.83 146.28 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.34 1.056 . . . . 0.0 111.078 -165.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . . . -132.6 109.12 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 160.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.27 109.52 2.55 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 164.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 19.1 mt -123.34 119.1 29.08 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 174.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -134.21 120.46 20.07 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 165.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' VAL . . . . . 0.469 HG12 ' HA3' ' B' ' 38' ' ' GLY 0.388 22.5 m -144.37 140.26 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 1 C-N-CA 136.324 5.85 . . . . 0.0 120.517 166.677 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.76 58.8 0.42 Allowed Glycine 0 N--CA 1.472 1.094 0 C-N-CA 126.975 2.226 . . . . 0.0 108.771 -166.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLY . . . . . 0.963 ' O ' ' CG1' ' B' ' 41' ' ' ILE . . . 114.76 160.01 12.79 Favored Glycine 0 N--CA 1.463 0.478 0 CA-C-O 119.628 -0.54 . . . . 0.0 113.078 -168.346 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' VAL . . . . . 1.247 ' CA ' ' O ' ' B' ' 41' ' ' ILE . 52.1 t -143.7 152.55 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 126.553 1.941 . . . . 0.0 108.484 178.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 C--O 9.621 441.693 1 CA-C-O 55.684 -30.674 . . . . 0.0 111.044 -170.356 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ILE . . . . . 1.247 ' O ' ' CA ' ' B' ' 39' ' ' VAL . . . . . . . . 1 C--O 4.181 155.357 1 CA-C-O 31.803 -42.046 . . . . 0.0 115.418 . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ALA . . . . . 1.204 ' HB3' ' C ' ' B' ' 41' ' ' ILE . . . . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . 1.476 ' HB3' ' CB ' ' A' ' 17' ' ' LEU . 21.2 mp0 . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.676 ' N ' ' N ' ' A' ' 15' ' ' GLN . 1.6 mptm? -119.16 127.12 53.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.036 1.334 . . . . 0.0 109.449 162.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.476 ' CB ' ' HB3' ' A' ' 15' ' ' GLN . 74.8 mt -136.0 140.45 43.92 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.482 0.713 . . . . 0.0 109.876 167.576 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.2 t -107.2 132.87 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.79 1.636 . . . . 0.0 107.738 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.677 ' HE2' ' C ' ' B' ' 42' ' ' ALA . 43.0 p90 -134.43 136.93 43.61 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.749 1.388 . . . . 0.0 114.749 -172.373 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -132.21 118.77 19.96 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.28 2.232 . . . . 0.0 108.285 172.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.94 133.96 51.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.232 1.013 . . . . 0.0 112.102 -177.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -126.92 115.26 18.99 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.5 1.92 . . . . 0.0 106.906 169.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.681 ' OD2' ' CG1' ' B' ' 41' ' ' ILE . 0.5 OUTLIER -150.9 147.09 26.78 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.396 1.078 . . . . 0.0 111.351 171.591 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.15 124.7 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.681 0.753 . . . . 0.0 110.122 -175.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.57 115.8 5.4 Favored Glycine 0 C--N 1.337 0.599 0 C-N-CA 126.4 1.952 . . . . 0.0 108.833 171.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . 0.284 8.7 t -149.45 131.26 15.1 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.421 1.11 . . . . 0.0 112.077 -154.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -168.39 156.13 8.14 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -149.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -148.43 149.26 31.41 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.273 -1.517 . . . . 0.0 110.81 164.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.76 153.74 11.09 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.079 0.847 . . . . 0.0 115.116 -175.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.87 129.25 34.33 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.691 1.597 . . . . 0.0 107.836 162.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . . . -140.21 150.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.263 1.025 . . . . 0.0 110.014 -173.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -131.62 129.09 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.842 1.257 . . . . 0.0 108.77 172.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.01 125.26 4.85 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 126.226 1.869 . . . . 0.0 110.457 176.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.8 mt -142.96 108.95 5.19 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.429 0.692 . . . . 0.0 110.05 172.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' MET . . . . . 0.497 ' SD ' HG21 ' B' ' 31' ' ' ILE . 0.9 OUTLIER -122.86 120.76 34.46 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 159.279 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.378 24.6 m -141.04 142.98 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 1 C-N-CA 136.367 5.867 . . . . 0.0 120.439 162.283 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.97 40.33 0.96 Allowed Glycine 0 N--CA 1.467 0.725 0 C-N-CA 128.243 2.83 . . . . 0.0 108.14 -174.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' B' ' 25' ' ' GLY . . . 101.42 157.21 26.9 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 123.426 0.536 . . . . 0.0 113.086 -164.048 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.951 ' HA ' HG21 ' A' ' 41' ' ' ILE . 66.8 t -137.9 160.3 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.528 1.931 . . . . 0.0 109.674 -173.166 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.725 ' H ' HG21 ' A' ' 41' ' ' ILE . 1.4 t . . . . . 1 C--O 9.717 446.733 1 CA-C-O 67.514 -25.041 . . . . 0.0 110.32 178.884 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.951 HG21 ' HA ' ' A' ' 39' ' ' VAL . . . . . . . . 1 C--O 7.341 321.668 1 CA-C-O 49.313 -33.708 . . . . 0.0 113.247 . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLN . . . . . 1.589 ' CB ' ' HB2' ' B' ' 17' ' ' LEU . 28.8 mp0 . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 119.81 -0.138 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -117.53 134.51 54.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.891 1.276 . . . . 0.0 108.182 155.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . 1.589 ' HB2' ' CB ' ' B' ' 15' ' ' GLN . 79.1 mt -111.22 127.07 55.49 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 159.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.85 121.75 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 163.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -126.72 132.35 51.15 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.247 1.019 . . . . 0.0 112.057 179.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -122.58 119.46 30.9 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 159.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.4 127.96 53.67 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.733 1.213 . . . . 0.0 109.8 -176.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -120.68 120.81 36.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 172.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . 0.28 0.2 OUTLIER -154.04 159.7 41.69 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.339 1.056 . . . . 0.0 110.604 174.924 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -152.97 137.46 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 O-C-N 120.5 -1.375 . . . . 0.0 111.802 -169.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 38' ' ' GLY . . . -127.41 109.94 1.13 Allowed Glycine 0 N--CA 1.469 0.887 0 C-N-CA 125.229 1.395 . . . . 0.0 111.318 173.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -147.59 136.3 21.92 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.489 1.116 . . . . 0.0 112.086 -169.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -165.32 161.13 18.88 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -156.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -148.81 147.45 28.78 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.83 1.252 . . . . 0.0 110.74 169.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.27 158.85 19.47 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 124.89 1.233 . . . . 0.0 115.816 -173.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.95 134.98 35.42 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.309 1.844 . . . . 0.0 110.286 174.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.497 HG21 ' SD ' ' A' ' 35' ' ' MET . . . -139.83 146.28 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.34 1.056 . . . . 0.0 111.078 -165.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . . . -132.6 109.12 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 160.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.27 109.52 2.55 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 164.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 19.1 mt -123.34 119.1 29.08 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 174.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -134.21 120.46 20.07 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 165.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.469 HG12 ' HA3' ' B' ' 38' ' ' GLY 0.388 22.5 m -144.37 140.26 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 1 C-N-CA 136.324 5.85 . . . . 0.0 120.517 166.677 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.76 58.8 0.42 Allowed Glycine 0 N--CA 1.472 1.094 0 C-N-CA 126.975 2.226 . . . . 0.0 108.771 -166.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.963 ' O ' ' CG1' ' B' ' 41' ' ' ILE . . . 114.76 160.01 12.79 Favored Glycine 0 N--CA 1.463 0.478 0 CA-C-O 119.628 -0.54 . . . . 0.0 113.078 -168.346 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' VAL . . . . . 1.247 ' CA ' ' O ' ' B' ' 41' ' ' ILE . 52.1 t -143.7 152.55 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 126.553 1.941 . . . . 0.0 108.484 178.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 C--O 9.621 441.693 1 CA-C-O 55.684 -30.674 . . . . 0.0 111.044 -170.356 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ILE . . . . . 1.247 ' O ' ' CA ' ' B' ' 39' ' ' VAL . . . . . . . . 1 C--O 4.181 155.357 1 CA-C-O 31.803 -42.046 . . . . 0.0 115.418 . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ALA . . . . . 1.204 ' HB3' ' C ' ' B' ' 41' ' ' ILE . . . . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 . . . . . . . . . 1 1 . 1 stop_ save_