data_5joo_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 5joo _Structure_validation_residue.Date_analyzed 2017-07-29 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 18.559999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.4 p -151.73 155.39 38.19 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.606 0.717 . . . . 19.300000000000001 112.679 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 m -129.14 163.83 24.67 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.413 -1.267 . . . . 15.19 110.435 -173.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.79 139.81 81.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 108.317 -0.994 . . . . 20.25 108.317 172.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -55.97 -31.36 81.71 Favored 'Trans proline' 0 C--N 1.346 0.398 0 O-C-N 122.472 0.722 . . . . 23.41 112.969 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.33 -41.33 98.88 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.426 0.454 . . . . 50.390000000000001 110.293 178.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.5 -38.82 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 16.25 110.937 -178.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.58 -44.0 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.489 -0.56 . . . . 20.969999999999999 109.489 176.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.11 90.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 19.530000000000001 110.928 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.51 94.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 18.899999999999999 111.193 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m -67.5 -38.87 84.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 20.809999999999999 111.253 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.6 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.736 0.303 . . . . 28.199999999999999 110.198 177.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.76 -41.32 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 24.84 110.549 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.27 -43.02 99.68 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 116.292 -0.413 . . . . 20.210000000000001 112.558 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.4 mt -66.88 -44.66 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.595 0.236 . . . . 28.760000000000002 110.46 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -65.51 -33.0 74.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 38.710000000000001 110.574 -178.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -61.43 -45.78 92.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 32.210000000000001 110.084 175.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.08 -44.47 92.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 33.119999999999997 111.509 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.07 -48.16 89.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.654 -0.248 . . . . 26.280000000000001 111.014 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -59.76 -39.8 86.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.766 -0.197 . . . . 41.479999999999997 111.028 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -62.87 -45.15 93.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.609 0.242 . . . . 40.57 111.273 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.97 -46.31 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 27.059999999999999 110.798 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.96 -35.65 79.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.697 0.284 . . . . 28.43 111.122 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.82 -41.67 91.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 31.690000000000001 110.702 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -70.73 -34.36 71.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 63.119999999999997 111.91 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.1 mt -79.84 162.55 24.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.88 0.372 . . . . 34.5 110.961 -178.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 24.010000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 15.880000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.4 p -151.73 155.39 38.19 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.606 0.717 . . . . 16.079999999999998 112.679 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 m -129.14 163.83 24.67 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.413 -1.267 . . . . 14.77 110.435 -173.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.79 139.81 81.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 108.317 -0.994 . . . . 20.25 108.317 172.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -55.97 -31.36 81.71 Favored 'Trans proline' 0 C--N 1.346 0.398 0 O-C-N 122.472 0.722 . . . . 19.510000000000002 112.969 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.33 -41.33 98.88 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.426 0.454 . . . . 41.990000000000002 110.293 178.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.5 -38.82 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 13.539999999999999 110.937 -178.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.58 -44.0 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.489 -0.56 . . . . 17.48 109.489 176.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.11 90.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 16.579999999999998 110.928 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.51 94.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 15.75 111.193 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m -67.5 -38.87 84.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 17.34 111.253 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.6 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.736 0.303 . . . . 23.5 110.198 177.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.76 -41.32 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 20.699999999999999 110.549 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.27 -43.02 99.68 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 116.292 -0.413 . . . . 18.800000000000001 112.558 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.4 mt -66.88 -44.66 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.595 0.236 . . . . 23.969999999999999 110.46 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -65.51 -33.0 74.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 32.25 110.574 -178.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -61.43 -45.78 92.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 26.850000000000001 110.084 175.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.08 -44.47 92.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 27.600000000000001 111.509 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.07 -48.16 89.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.654 -0.248 . . . . 21.899999999999999 111.014 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -59.76 -39.8 86.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.766 -0.197 . . . . 34.560000000000002 111.028 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -62.87 -45.15 93.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.609 0.242 . . . . 33.810000000000002 111.273 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.97 -46.31 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 22.550000000000001 110.798 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.96 -35.65 79.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.697 0.284 . . . . 23.690000000000001 111.122 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.82 -41.67 91.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 31.690000000000001 110.702 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -70.73 -34.36 71.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 55.020000000000003 111.91 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.1 mt -79.84 162.55 24.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.88 0.372 . . . . 28.75 110.961 -178.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 20.010000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 15.880000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.4 p -151.73 155.39 38.19 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.606 0.717 . . . . 16.079999999999998 112.679 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.1 m -129.14 163.83 24.67 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.413 -1.267 . . . . 14.77 110.435 -173.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.79 139.81 81.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 108.317 -0.994 . . . . 20.25 108.317 172.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -55.97 -31.36 81.71 Favored 'Trans proline' 0 C--N 1.346 0.398 0 O-C-N 122.472 0.722 . . . . 19.510000000000002 112.969 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.33 -41.33 98.88 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.426 0.454 . . . . 41.990000000000002 110.293 178.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.5 -38.82 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 13.539999999999999 110.937 -178.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.58 -44.0 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.489 -0.56 . . . . 17.48 109.489 176.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.11 90.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 16.579999999999998 110.928 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.51 94.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 15.75 111.193 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m -67.5 -38.87 84.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 17.34 111.253 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.6 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.736 0.303 . . . . 23.5 110.198 177.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.76 -41.32 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 20.699999999999999 110.549 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.27 -43.02 99.68 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 116.292 -0.413 . . . . 18.800000000000001 112.558 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.4 mt -66.88 -44.66 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.595 0.236 . . . . 23.969999999999999 110.46 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -65.51 -33.0 74.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 32.25 110.574 -178.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -61.43 -45.78 92.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 26.850000000000001 110.084 175.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.08 -44.47 92.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 27.600000000000001 111.509 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.07 -48.16 89.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.654 -0.248 . . . . 21.899999999999999 111.014 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -59.76 -39.8 86.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.766 -0.197 . . . . 34.560000000000002 111.028 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -62.87 -45.15 93.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.609 0.242 . . . . 33.810000000000002 111.273 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.97 -46.31 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 22.550000000000001 110.798 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.96 -35.65 79.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.697 0.284 . . . . 23.690000000000001 111.122 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.82 -41.67 91.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 31.690000000000001 110.702 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -70.73 -34.36 71.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.974 -0.557 . . . . 55.020000000000003 111.91 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.1 mt -79.84 162.55 24.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.88 0.372 . . . . 28.75 110.961 -178.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 20.010000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_