data_4qkm_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 4qkm _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 ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.206 . . . . . . . . 18.120000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -140.01 160.76 39.21 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 119.808 -0.757 . . . . 19.43 109.676 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.4 m -137.16 161.42 36.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 114.685 -1.143 . . . . 14.289999999999999 109.362 -171.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.04 139.91 78.36 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.179 -0.674 . . . . 22.120000000000001 109.179 171.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -56.38 -31.89 86.76 Favored 'Trans proline' 0 CA--C 1.519 -0.261 0 N-CA-C 113.827 0.664 . . . . 19.420000000000002 113.827 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.02 -45.16 93.7 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.958 -0.386 . . . . 27.289999999999999 109.958 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.99 -39.63 83.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 109.934 -0.395 . . . . 15.66 109.934 177.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -60.84 -43.37 95.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 C-N-CA 119.747 -0.781 . . . . 18.579999999999998 110.746 174.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.43 96.61 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.214 -0.594 . . . . 19.82 111.592 -179.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.84 -36.43 81.18 Favored 'General case' 0 C--N 1.312 -1.037 0 O-C-N 122.182 -0.324 . . . . 18.370000000000001 111.837 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.5 m -69.34 -39.71 77.98 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 121.795 -0.566 . . . . 16.579999999999998 109.68 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.66 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 O-C-N 123.515 0.509 . . . . 23.739999999999998 110.319 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.22 -44.48 98.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.265 -0.425 . . . . 21.079999999999998 110.357 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.47 -43.75 98.91 Favored Glycine 0 C--O 1.19 -2.646 0 C-N-CA 119.874 -1.155 . . . . 21.050000000000001 113.398 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.0 mm -63.58 -43.69 98.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 119.339 -2.271 . . . . 26.559999999999999 110.108 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.41 -33.93 76.19 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.793 -0.763 . . . . 28.120000000000001 110.386 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -61.97 -44.4 96.83 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 120.832 0.348 . . . . 28.059999999999999 110.757 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.01 -50.99 71.52 Favored 'General case' 0 C--O 1.242 0.684 0 O-C-N 120.35 -1.469 . . . . 18.949999999999999 111.122 178.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.0 -46.75 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 120.499 -0.48 . . . . 27.34 110.18 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.53 -39.59 94.05 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.886 -0.325 . . . . 26.66 111.454 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -62.21 -45.13 94.72 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.486 0.491 . . . . 23.079999999999998 110.741 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.6 -46.81 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.416 -0.356 . . . . 24.960000000000001 111.179 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.85 -36.33 80.89 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 111.713 0.264 . . . . 26.699999999999999 111.713 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.04 -36.08 74.77 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.53 -0.304 . . . . 24.190000000000001 110.361 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -28.09 61.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 111.901 0.334 . . . . 60.659999999999997 111.901 -177.068 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.61 160.88 20.32 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.995 0.426 . . . . 31.890000000000001 110.531 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.067 -0.515 . . . . 24.120000000000001 . . . . . . . . . . 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 ' 104' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' OLB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' A' A ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.206 . . . . . . . . 15.470000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -140.01 160.76 39.21 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 119.808 -0.757 . . . . 17.5 109.676 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.4 m -137.16 161.42 36.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 114.685 -1.143 . . . . 13.039999999999999 109.362 -171.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.04 139.91 78.36 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.179 -0.674 . . . . 22.120000000000001 109.179 171.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -56.38 -31.89 86.76 Favored 'Trans proline' 0 CA--C 1.519 -0.261 0 N-CA-C 113.827 0.664 . . . . 16.18 113.827 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.02 -45.16 93.7 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.958 -0.386 . . . . 22.739999999999998 109.958 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.99 -39.63 83.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 109.934 -0.395 . . . . 13.050000000000001 109.934 177.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -60.84 -43.37 95.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 C-N-CA 119.747 -0.781 . . . . 15.48 110.746 174.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.43 96.61 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.214 -0.594 . . . . 16.52 111.592 -179.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.84 -36.43 81.18 Favored 'General case' 0 C--N 1.312 -1.037 0 O-C-N 122.182 -0.324 . . . . 15.31 111.837 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.5 m -69.34 -39.71 77.98 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 121.795 -0.566 . . . . 15.039999999999999 109.68 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.66 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 O-C-N 123.515 0.509 . . . . 19.780000000000001 110.319 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.22 -44.48 98.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.265 -0.425 . . . . 17.559999999999999 110.357 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.47 -43.75 98.91 Favored Glycine 0 C--O 1.19 -2.646 0 C-N-CA 119.874 -1.155 . . . . 17.539999999999999 113.398 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.0 mm -63.58 -43.69 98.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 119.339 -2.271 . . . . 22.129999999999999 110.108 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.41 -33.93 76.19 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.793 -0.763 . . . . 24.23 110.386 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -61.97 -44.4 96.83 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 120.832 0.348 . . . . 23.390000000000001 110.757 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.01 -50.99 71.52 Favored 'General case' 0 C--O 1.242 0.684 0 O-C-N 120.35 -1.469 . . . . 19.210000000000001 111.122 178.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.0 -46.75 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 120.499 -0.48 . . . . 22.780000000000001 110.18 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.53 -39.59 94.05 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.886 -0.325 . . . . 22.219999999999999 111.454 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -62.21 -45.13 94.72 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.486 0.491 . . . . 27.469999999999999 110.741 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.6 -46.81 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.416 -0.356 . . . . 20.800000000000001 111.179 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.85 -36.33 80.89 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 111.713 0.264 . . . . 22.25 111.713 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.04 -36.08 74.77 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.53 -0.304 . . . . 24.190000000000001 110.361 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -28.09 61.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 111.901 0.334 . . . . 50.549999999999997 111.901 -177.068 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.61 160.88 20.32 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.995 0.426 . . . . 26.579999999999998 110.531 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.067 -0.515 . . . . 20.100000000000001 . . . . . . . . . . 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 ' 104' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' OLB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 nobuild full ' A' A ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.206 . . . . . . . . 15.470000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -140.01 160.76 39.21 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 119.808 -0.757 . . . . 17.5 109.676 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.4 m -137.16 161.42 36.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 114.685 -1.143 . . . . 13.039999999999999 109.362 -171.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.04 139.91 78.36 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.179 -0.674 . . . . 22.120000000000001 109.179 171.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -56.38 -31.89 86.76 Favored 'Trans proline' 0 CA--C 1.519 -0.261 0 N-CA-C 113.827 0.664 . . . . 16.18 113.827 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.02 -45.16 93.7 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.958 -0.386 . . . . 22.739999999999998 109.958 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.99 -39.63 83.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 109.934 -0.395 . . . . 13.050000000000001 109.934 177.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -60.84 -43.37 95.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 C-N-CA 119.747 -0.781 . . . . 15.48 110.746 174.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.43 96.61 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.214 -0.594 . . . . 16.52 111.592 -179.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.84 -36.43 81.18 Favored 'General case' 0 C--N 1.312 -1.037 0 O-C-N 122.182 -0.324 . . . . 15.31 111.837 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.5 m -69.34 -39.71 77.98 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 121.795 -0.566 . . . . 15.039999999999999 109.68 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.66 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 O-C-N 123.515 0.509 . . . . 19.780000000000001 110.319 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.22 -44.48 98.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.265 -0.425 . . . . 17.559999999999999 110.357 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.47 -43.75 98.91 Favored Glycine 0 C--O 1.19 -2.646 0 C-N-CA 119.874 -1.155 . . . . 17.539999999999999 113.398 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.0 mm -63.58 -43.69 98.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 119.339 -2.271 . . . . 22.129999999999999 110.108 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.41 -33.93 76.19 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.793 -0.763 . . . . 24.23 110.386 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -61.97 -44.4 96.83 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 120.832 0.348 . . . . 23.390000000000001 110.757 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.01 -50.99 71.52 Favored 'General case' 0 C--O 1.242 0.684 0 O-C-N 120.35 -1.469 . . . . 19.210000000000001 111.122 178.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.0 -46.75 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 120.499 -0.48 . . . . 22.780000000000001 110.18 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.53 -39.59 94.05 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.886 -0.325 . . . . 22.219999999999999 111.454 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -62.21 -45.13 94.72 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.486 0.491 . . . . 27.469999999999999 110.741 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.6 -46.81 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.416 -0.356 . . . . 20.800000000000001 111.179 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.85 -36.33 80.89 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 111.713 0.264 . . . . 22.25 111.713 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.04 -36.08 74.77 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.53 -0.304 . . . . 24.190000000000001 110.361 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -28.09 61.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 111.901 0.334 . . . . 50.549999999999997 111.901 -177.068 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.61 160.88 20.32 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.995 0.426 . . . . 26.579999999999998 110.531 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.067 -0.515 . . . . 20.100000000000001 . . . . . . . . . . 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 ' 104' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' OLB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 stop_ save_