data_1edn_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 1edn _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' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 106.314 -1.736 . . . . 35.9 106.314 . 44.719 142.329 143.761 102.245 2.042 105.681 -63.831 -53.978 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -101.25 169.32 8.99 Favored 'General case' 0 N--CA 1.475 0.777 1 N-CA-C 95.064 -5.902 . . . . 47.46 95.064 174.013 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . 0.496 ' SG ' ' N ' ' A' ' 4' ' ' SER . 47.8 t -133.36 160.23 37.98 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 116.853 -1.939 . . . . 55.79 114.931 178.973 -177.374 75.96 -131.409 104.631 2.04 105.641 148.602 -165.028 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . 0.496 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 m -98.49 81.38 2.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.144 -1.428 . . . . 63.24 107.144 176.604 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p 12.98 101.37 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.908 0 C-N-CA 125.535 1.534 . . . . 43.72 113.909 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 51.53 83.85 0.05 OUTLIER 'General case' 0 C--O 1.254 1.31 0 CA-C-O 121.624 0.726 . . . . 30.69 112.367 -177.533 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . 0.359 41.2 mtp 38.51 -41.99 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.206 1 N-CA-C 126.533 5.753 . . . . 39.65 126.533 -179.8 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . 0.344 0.2 OUTLIER 5.22 -155.49 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.646 1 N-CA-C 124.884 5.142 . . . . 76.52 124.884 -175.95 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -56.51 6.83 0.01 OUTLIER 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.116 1.366 . . . . 68.97 113.669 -179.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -165.79 52.56 0.1 Allowed 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.347 1.981 . . . . 61.07 116.347 -175.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.336 11.6 t -136.02 -16.74 1.67 Allowed 'General case' 0 C--O 1.243 0.72 0 N-CA-C 118.311 2.708 . . . . 46.38 118.311 177.708 -165.028 148.602 -131.409 105.641 2.04 104.631 75.96 -177.374 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . 0.535 ' O ' ' CD2' ' A' ' 13' ' ' TYR 0.254 59.7 t -140.59 125.31 18.71 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 CA-C-O 122.785 1.278 . . . . 56.02 109.999 177.212 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CD2' ' O ' ' A' ' 12' ' ' VAL . 67.0 m-85 162.01 -22.34 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.38 2 N-CA-C 90.99 -7.411 . . . . 63.74 90.99 -175.199 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -105.74 -75.5 0.63 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 131.626 3.97 . . . . 50.24 115.575 178.958 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . 0.326 56.6 m -67.28 -51.34 54.0 Favored 'General case' 0 C--O 1.247 0.927 1 N-CA-C 125.779 5.474 . . . . 47.61 125.779 -175.144 -53.978 -63.831 143.761 105.681 2.042 102.245 142.329 44.719 3 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.67 71.03 10.76 Favored 'General case' 0 C--O 1.27 2.174 0 C-N-CA 116.552 -2.059 . . . . 50.25 107.488 176.668 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mt -136.69 -111.35 0.19 Allowed 'General case' 0 CA--C 1.539 0.546 2 N-CA-C 100.131 -4.025 . . . . 45.71 100.131 179.073 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.269 5.7 m-20 -64.74 -10.54 28.23 Favored 'General case' 0 CA--C 1.569 1.68 1 N-CA-C 123.439 4.607 . . . . 56.83 123.439 -179.002 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mm -72.67 -63.87 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 104.924 -2.25 . . . . 66.15 104.924 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 55.0 mt -143.1 149.39 18.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 101.434 -3.543 . . . . 62.9 101.434 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . 0.641 ' N ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.522 0 N-CA-C 112.617 0.599 . . . . 51.33 112.617 179.068 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 106.314 -1.736 . . . . 35.9 106.314 . 44.719 142.329 143.761 102.245 2.042 105.681 -63.831 -53.978 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -101.25 169.32 8.99 Favored 'General case' 0 N--CA 1.475 0.777 1 N-CA-C 95.064 -5.902 . . . . 47.46 95.064 174.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . 0.496 ' SG ' ' N ' ' A' ' 4' ' ' SER . 47.8 t -133.36 160.23 37.98 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 116.853 -1.939 . . . . 55.79 114.931 178.973 -177.374 75.96 -131.409 104.631 2.04 105.641 148.602 -165.028 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . 0.496 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 m -98.49 81.38 2.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.144 -1.428 . . . . 63.24 107.144 176.604 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . 0.6 ' C ' HD23 ' A' ' 6' ' ' LEU . 2.5 p 12.98 101.37 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.908 0 C-N-CA 125.535 1.534 . . . . 43.72 113.909 179.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.6 HD23 ' C ' ' A' ' 5' ' ' SER . 0.3 OUTLIER 51.53 83.85 0.05 OUTLIER 'General case' 0 C--O 1.254 1.31 0 CA-C-O 121.624 0.726 . . . . 30.69 112.367 -177.533 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 7' ' ' MET . . . . . 0.735 ' HA ' ' HB3' ' A' ' 11' ' ' CYS 0.359 41.2 mtp 38.51 -41.99 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.206 1 N-CA-C 126.533 5.753 . . . . 39.65 126.533 -179.8 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' A' ' 10' ' ' GLU 0.344 0.2 OUTLIER 5.22 -155.49 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.646 1 N-CA-C 124.884 5.142 . . . . 76.52 124.884 -175.95 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 16.5 ttpp -56.51 6.83 0.01 OUTLIER 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.116 1.366 . . . . 68.97 113.669 -179.375 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' HB3' ' OG ' ' A' ' 4' ' ' SER . 32.9 tt0 -165.79 52.56 0.1 Allowed 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.347 1.981 . . . . 61.07 116.347 -175.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . 0.735 ' HB3' ' HA ' ' A' ' 7' ' ' MET 0.336 11.6 t -136.02 -16.74 1.67 Allowed 'General case' 0 C--O 1.243 0.72 0 N-CA-C 118.311 2.708 . . . . 46.38 118.311 177.708 -165.028 148.602 -131.409 105.641 2.04 104.631 75.96 -177.374 3 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . 0.671 HG22 ' H ' ' A' ' 16' ' ' HIS 0.254 59.7 t -140.59 125.31 18.71 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 CA-C-O 122.785 1.278 . . . . 56.02 109.999 177.212 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . 0.587 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 67.0 m-85 162.01 -22.34 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.38 2 N-CA-C 90.99 -7.411 . . . . 63.74 90.99 -175.199 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -105.74 -75.5 0.63 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 131.626 3.97 . . . . 50.24 115.575 178.958 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . 0.326 56.6 m -67.28 -51.34 54.0 Favored 'General case' 0 C--O 1.247 0.927 1 N-CA-C 125.779 5.474 . . . . 47.61 125.779 -175.144 -53.978 -63.831 143.761 105.681 2.042 102.245 142.329 44.719 3 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HIS . . . . . 0.671 ' H ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -85.67 71.03 10.76 Favored 'General case' 0 C--O 1.27 2.174 0 C-N-CA 116.552 -2.059 . . . . 50.25 107.488 176.668 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 14' ' ' PHE . 2.0 mt -136.69 -111.35 0.19 Allowed 'General case' 0 CA--C 1.539 0.546 2 N-CA-C 100.131 -4.025 . . . . 45.71 100.131 179.073 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.269 5.7 m-20 -64.74 -10.54 28.23 Favored 'General case' 0 CA--C 1.569 1.68 1 N-CA-C 123.439 4.607 . . . . 56.83 123.439 -179.002 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mm -72.67 -63.87 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 104.924 -2.25 . . . . 66.15 104.924 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . 0.553 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 55.0 mt -143.1 149.39 18.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 101.434 -3.543 . . . . 62.9 101.434 178.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . 0.752 ' H ' ' HE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.522 0 N-CA-C 112.617 0.599 . . . . 51.33 112.617 179.068 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 106.314 -1.736 . . . . 35.9 106.314 . 44.719 142.329 143.761 102.245 2.042 105.681 -63.831 -53.978 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -101.25 169.32 8.99 Favored 'General case' 0 N--CA 1.475 0.777 1 N-CA-C 95.064 -5.902 . . . . 47.46 95.064 174.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.496 ' SG ' ' N ' ' A' ' 4' ' ' SER . 47.8 t -133.36 160.23 37.98 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 116.853 -1.939 . . . . 55.79 114.931 178.973 -177.374 75.96 -131.409 104.631 2.04 105.641 148.602 -165.028 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . 0.496 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 3.7 m -98.49 81.38 2.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.144 -1.428 . . . . 63.24 107.144 176.604 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . 0.6 ' C ' HD23 ' A' ' 6' ' ' LEU . 2.5 p 12.98 101.37 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.908 0 C-N-CA 125.535 1.534 . . . . 43.72 113.909 179.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.6 HD23 ' C ' ' A' ' 5' ' ' SER . 0.3 OUTLIER 51.53 83.85 0.05 OUTLIER 'General case' 0 C--O 1.254 1.31 0 CA-C-O 121.624 0.726 . . . . 30.69 112.367 -177.533 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' MET . . . . . 0.735 ' HA ' ' HB3' ' A' ' 11' ' ' CYS 0.359 41.2 mtp 38.51 -41.99 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.206 1 N-CA-C 126.533 5.753 . . . . 39.65 126.533 -179.8 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' A' ' 10' ' ' GLU 0.344 0.2 OUTLIER 5.22 -155.49 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.646 1 N-CA-C 124.884 5.142 . . . . 76.52 124.884 -175.95 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 16.5 ttpp -56.51 6.83 0.01 OUTLIER 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.116 1.366 . . . . 68.97 113.669 -179.375 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' HB3' ' OG ' ' A' ' 4' ' ' SER . 32.9 tt0 -165.79 52.56 0.1 Allowed 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.347 1.981 . . . . 61.07 116.347 -175.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.735 ' HB3' ' HA ' ' A' ' 7' ' ' MET 0.336 11.6 t -136.02 -16.74 1.67 Allowed 'General case' 0 C--O 1.243 0.72 0 N-CA-C 118.311 2.708 . . . . 46.38 118.311 177.708 -165.028 148.602 -131.409 105.641 2.04 104.631 75.96 -177.374 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.671 HG22 ' H ' ' A' ' 16' ' ' HIS 0.254 59.7 t -140.59 125.31 18.71 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 CA-C-O 122.785 1.278 . . . . 56.02 109.999 177.212 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.587 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 67.0 m-85 162.01 -22.34 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.38 2 N-CA-C 90.99 -7.411 . . . . 63.74 90.99 -175.199 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -105.74 -75.5 0.63 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 131.626 3.97 . . . . 50.24 115.575 178.958 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . 0.326 56.6 m -67.28 -51.34 54.0 Favored 'General case' 0 C--O 1.247 0.927 1 N-CA-C 125.779 5.474 . . . . 47.61 125.779 -175.144 -53.978 -63.831 143.761 105.681 2.042 102.245 142.329 44.719 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.671 ' H ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -85.67 71.03 10.76 Favored 'General case' 0 C--O 1.27 2.174 0 C-N-CA 116.552 -2.059 . . . . 50.25 107.488 176.668 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 14' ' ' PHE . 2.0 mt -136.69 -111.35 0.19 Allowed 'General case' 0 CA--C 1.539 0.546 2 N-CA-C 100.131 -4.025 . . . . 45.71 100.131 179.073 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.269 5.7 m-20 -64.74 -10.54 28.23 Favored 'General case' 0 CA--C 1.569 1.68 1 N-CA-C 123.439 4.607 . . . . 56.83 123.439 -179.002 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mm -72.67 -63.87 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 104.924 -2.25 . . . . 66.15 104.924 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.582 HG22 ' HE1' ' A' ' 16' ' ' HIS . 55.0 mt -143.1 149.39 18.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 101.434 -3.543 . . . . 62.9 101.434 178.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.752 ' H ' ' HE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.522 0 N-CA-C 112.617 0.599 . . . . 51.33 112.617 179.068 . . . . . . . . 2 2 . 1 stop_ save_