data_5jqf_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 5jqf _Structure_validation_residue.Date_analyzed 2016-10-13 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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.509 0 CA-C-O 121.587 0.549 . . . . 6.32 114.092 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.7 pt -111.45 -2.68 10.42 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 113.718 -1.241 . . . . 13.07 114.053 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -72.97 155.99 90.04 Favored Pre-proline 0 N--CA 1.468 0.442 0 CA-C-O 120.767 0.318 . . . . 10.87 110.335 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.23 -12.34 12.98 Favored 'Trans proline' 0 CA--C 1.518 -0.289 0 N-CA-C 115.07 1.142 . . . . 8.51 115.07 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -148.26 159.53 43.89 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 107.407 -1.331 . . . . 12.97 107.407 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.34 -176.58 18.74 Favored Glycine 0 C--N 1.312 -0.772 0 N-CA-C 109.914 -1.274 . . . . 8.77 109.914 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -56.32 136.74 77.07 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 N-CA-C 109.198 -1.116 . . . . 9.5 109.198 173.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.14 140.95 18.26 Favored 'Isoleucine or valine' 0 C--O 1.25 1.117 0 CA-C-O 121.838 0.828 . . . . 7.13 111.595 -172.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -107.71 102.02 11.28 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.474 1.109 . . . . 5.76 108.928 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.6 -31.1 71.15 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.829 0.677 . . . . 9.02 112.829 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -77.79 -33.17 52.68 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.99 1.478 . . . . 10.11 114.99 -169.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -113.57 -3.21 13.67 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.329 0.863 . . . . 9.64 113.329 173.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.77 6.25 83.02 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 117.509 1.763 . . . . 5.55 117.509 169.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -124.31 -120.62 0.27 Allowed 'General case' 0 C--O 1.248 0.975 0 N-CA-C 107.753 -1.202 . . . . 7.12 107.753 174.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -137.03 146.63 45.48 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 119.215 0.916 . . . . 7.33 110.778 -171.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -71.58 152.91 42.52 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.558 1.171 . . . . 7.87 110.15 167.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.55 -42.2 98.38 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.29 -0.868 . . . . 15.85 110.153 171.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -155.21 161.86 41.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.332 -0.988 . . . . 9.88 108.332 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.68 154.61 38.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.413 -1.267 . . . . 5.81 108.06 173.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.47 167.57 29.71 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 115.319 -0.855 . . . . 6.15 113.611 -172.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.267 2.191 0 CA-C-O 115.95 -2.583 . . . . 7.02 113.362 -168.788 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 CA-C-O 120.451 -0.083 . . . . 4.25 113.004 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 pp -115.32 11.87 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 124.861 0.977 . . . . 6.51 112.687 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -81.78 162.03 59.09 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 120.277 -0.569 . . . . 8.04 110.872 178.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -85.8 -17.57 4.03 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 N-CA-C 114.959 1.1 . . . . 7.98 114.959 -177.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.0 mt -137.76 129.84 28.92 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 118.845 0.748 . . . . 10.19 109.027 -172.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.03 -177.43 20.94 Favored Glycine 0 N--CA 1.441 -1.008 0 O-C-N 123.954 0.784 . . . . 5.08 112.392 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.42 139.5 81.93 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 120.706 0.937 . . . . 6.65 109.872 175.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 t -60.53 135.14 25.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 121.559 -0.713 . . . . 6.28 110.371 -175.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -100.53 101.05 11.88 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 113.765 -1.561 . . . . 4.98 107.697 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -72.42 -27.0 62.06 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 121.783 -0.573 . . . . 10.39 111.448 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -62.61 -45.31 93.48 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 118.628 0.649 . . . . 10.61 111.852 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -114.63 4.08 14.99 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 118.644 -0.693 . . . . 8.32 112.558 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.18 -5.82 78.44 Favored Glycine 0 C--O 1.22 -0.763 0 N-CA-C 118.201 2.04 . . . . 8.72 118.201 167.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -110.15 -119.72 0.28 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 119.485 1.642 . . . . 11.88 107.553 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -135.27 143.56 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.579 0.704 . . . . 5.79 109.615 -172.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -76.81 158.53 30.78 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.519 -0.919 . . . . 7.46 108.519 159.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.84 -46.79 80.46 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 117.752 -1.579 . . . . 10.07 110.436 167.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -147.83 164.27 34.17 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 120.178 -0.609 . . . . 7.78 110.483 -173.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.93 166.41 33.05 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.217 -1.031 . . . . 5.43 108.217 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.46 170.4 28.98 Favored Glycine 0 N--CA 1.416 -2.652 0 CA-C-N 113.71 -1.586 . . . . 6.22 113.255 -175.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLY . . . . . 0.971 ' O ' ' O ' ' A' ' 117' ' ' HOH . . . . . . . . 0 CA--C 1.526 0.738 0 C-N-CA 120.135 -1.031 . . . . 15.64 113.444 -164.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . 0.971 ' O ' ' O ' ' B' ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.509 0 CA-C-O 121.587 0.549 . . . . 6.2000000000000002 114.092 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.7 pt -111.45 -2.68 10.42 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 113.718 -1.241 . . . . 12.859999999999999 114.053 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -72.97 155.99 90.04 Favored Pre-proline 0 N--CA 1.468 0.442 0 CA-C-O 120.767 0.318 . . . . 10.869999999999999 110.335 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.23 -12.34 12.98 Favored 'Trans proline' 0 CA--C 1.518 -0.289 0 N-CA-C 115.07 1.142 . . . . 8.5099999999999998 115.07 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -148.26 159.53 43.89 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 107.407 -1.331 . . . . 12.67 107.407 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.34 -176.58 18.74 Favored Glycine 0 C--N 1.312 -0.772 0 N-CA-C 109.914 -1.274 . . . . 8.2400000000000002 109.914 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -56.32 136.74 77.07 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 N-CA-C 109.198 -1.116 . . . . 9.5 109.198 173.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.14 140.95 18.26 Favored 'Isoleucine or valine' 0 C--O 1.25 1.117 0 CA-C-O 121.838 0.828 . . . . 6.9900000000000002 111.595 -172.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -107.71 102.02 11.28 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.474 1.109 . . . . 5.7599999999999998 108.928 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.6 -31.1 71.15 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.829 0.677 . . . . 9.0199999999999996 112.829 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -77.79 -33.17 52.68 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.99 1.478 . . . . 10.109999999999999 114.99 -169.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -113.57 -3.21 13.67 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.329 0.863 . . . . 9.6400000000000006 113.329 173.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.77 6.25 83.02 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 117.509 1.763 . . . . 5.5499999999999998 117.509 169.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -124.31 -120.62 0.27 Allowed 'General case' 0 C--O 1.248 0.975 0 N-CA-C 107.753 -1.202 . . . . 7.1200000000000001 107.753 174.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -137.03 146.63 45.48 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 119.215 0.916 . . . . 7.3300000000000001 110.778 -171.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' TYR . . . . . 0.704 ' OH ' ' O ' ' A' ' 101' ' ' HOH . 67.8 m-85 -71.58 152.91 42.52 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.558 1.171 . . . . 7.8700000000000001 110.15 167.466 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.55 -42.2 98.38 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.29 -0.868 . . . . 15.85 110.153 171.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -155.21 161.86 41.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.332 -0.988 . . . . 9.8800000000000008 108.332 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.68 154.61 38.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.413 -1.267 . . . . 5.8099999999999996 108.06 173.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.47 167.57 29.71 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 115.319 -0.855 . . . . 6.1500000000000004 113.611 -172.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.267 2.191 0 CA-C-O 115.95 -2.583 . . . . 7.0199999999999996 113.362 -168.788 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 CA-C-O 120.451 -0.083 . . . . 4.25 113.004 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 pp -115.32 11.87 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 124.861 0.977 . . . . 6.5099999999999998 112.687 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -81.78 162.03 59.09 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 120.277 -0.569 . . . . 8.0399999999999991 110.872 178.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -85.8 -17.57 4.03 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 N-CA-C 114.959 1.1 . . . . 7.9800000000000004 114.959 -177.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.0 mt -137.76 129.84 28.92 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 118.845 0.748 . . . . 10.19 109.027 -172.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.03 -177.43 20.94 Favored Glycine 0 N--CA 1.441 -1.008 0 O-C-N 123.954 0.784 . . . . 5.0800000000000001 112.392 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.42 139.5 81.93 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 120.706 0.937 . . . . 6.6500000000000004 109.872 175.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 t -60.53 135.14 25.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 121.559 -0.713 . . . . 6.1399999999999997 110.371 -175.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -100.53 101.05 11.88 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 113.765 -1.561 . . . . 4.9800000000000004 107.697 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -72.42 -27.0 62.06 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 121.783 -0.573 . . . . 10.390000000000001 111.448 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -62.61 -45.31 93.48 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 118.628 0.649 . . . . 10.609999999999999 111.852 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -114.63 4.08 14.99 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 118.644 -0.693 . . . . 8.3200000000000003 112.558 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.18 -5.82 78.44 Favored Glycine 0 C--O 1.22 -0.763 0 N-CA-C 118.201 2.04 . . . . 8.7200000000000006 118.201 167.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -110.15 -119.72 0.28 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 119.485 1.642 . . . . 11.880000000000001 107.553 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -135.27 143.56 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.579 0.704 . . . . 5.79 109.615 -172.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -76.81 158.53 30.78 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.519 -0.919 . . . . 7.46 108.519 159.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.84 -46.79 80.46 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 117.752 -1.579 . . . . 10.07 110.436 167.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -147.83 164.27 34.17 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 120.178 -0.609 . . . . 7.7800000000000002 110.483 -173.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.93 166.41 33.05 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.217 -1.031 . . . . 5.4299999999999997 108.217 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.46 170.4 28.98 Favored Glycine 0 N--CA 1.416 -2.652 0 CA-C-N 113.71 -1.586 . . . . 6.2199999999999998 113.255 -175.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLY . . . . . 0.971 ' O ' ' O ' ' A' ' 117' ' ' HOH . . . . . . . . 0 CA--C 1.526 0.738 0 C-N-CA 120.135 -1.031 . . . . 15.640000000000001 113.444 -164.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.704 ' O ' ' OH ' ' A' ' 16' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . 0.971 ' O ' ' O ' ' B' ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.509 0 CA-C-O 121.587 0.549 . . . . 6.2000000000000002 114.092 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.7 pt -111.45 -2.68 10.42 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 113.718 -1.241 . . . . 12.859999999999999 114.053 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -72.97 155.99 90.04 Favored Pre-proline 0 N--CA 1.468 0.442 0 CA-C-O 120.767 0.318 . . . . 10.869999999999999 110.335 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.23 -12.34 12.98 Favored 'Trans proline' 0 CA--C 1.518 -0.289 0 N-CA-C 115.07 1.142 . . . . 8.5099999999999998 115.07 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -148.26 159.53 43.89 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 107.407 -1.331 . . . . 12.67 107.407 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.34 -176.58 18.74 Favored Glycine 0 C--N 1.312 -0.772 0 N-CA-C 109.914 -1.274 . . . . 8.2400000000000002 109.914 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -56.32 136.74 77.07 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 N-CA-C 109.198 -1.116 . . . . 9.5 109.198 173.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.14 140.95 18.26 Favored 'Isoleucine or valine' 0 C--O 1.25 1.117 0 CA-C-O 121.838 0.828 . . . . 6.9900000000000002 111.595 -172.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -107.71 102.02 11.28 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.474 1.109 . . . . 5.7599999999999998 108.928 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.6 -31.1 71.15 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.829 0.677 . . . . 9.0199999999999996 112.829 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -77.79 -33.17 52.68 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.99 1.478 . . . . 10.109999999999999 114.99 -169.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -113.57 -3.21 13.67 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.329 0.863 . . . . 9.6400000000000006 113.329 173.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.77 6.25 83.02 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 117.509 1.763 . . . . 5.5499999999999998 117.509 169.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -124.31 -120.62 0.27 Allowed 'General case' 0 C--O 1.248 0.975 0 N-CA-C 107.753 -1.202 . . . . 7.1200000000000001 107.753 174.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -137.03 146.63 45.48 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 119.215 0.916 . . . . 7.3300000000000001 110.778 -171.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.704 ' OH ' ' O ' ' A' ' 101' ' ' HOH . 67.8 m-85 -71.58 152.91 42.52 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.558 1.171 . . . . 7.8700000000000001 110.15 167.466 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.55 -42.2 98.38 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.29 -0.868 . . . . 15.85 110.153 171.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -155.21 161.86 41.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.332 -0.988 . . . . 9.8800000000000008 108.332 179.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.68 154.61 38.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.413 -1.267 . . . . 5.8099999999999996 108.06 173.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.47 167.57 29.71 Favored Glycine 0 N--CA 1.433 -1.517 0 CA-C-N 115.319 -0.855 . . . . 6.1500000000000004 113.611 -172.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.267 2.191 0 CA-C-O 115.95 -2.583 . . . . 7.0199999999999996 113.362 -168.788 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 CA-C-O 120.451 -0.083 . . . . 4.25 113.004 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 pp -115.32 11.87 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 124.861 0.977 . . . . 6.5099999999999998 112.687 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -81.78 162.03 59.09 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 120.277 -0.569 . . . . 8.0399999999999991 110.872 178.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -85.8 -17.57 4.03 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 N-CA-C 114.959 1.1 . . . . 7.9800000000000004 114.959 -177.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.0 mt -137.76 129.84 28.92 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 118.845 0.748 . . . . 10.19 109.027 -172.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.03 -177.43 20.94 Favored Glycine 0 N--CA 1.441 -1.008 0 O-C-N 123.954 0.784 . . . . 5.0800000000000001 112.392 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.42 139.5 81.93 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 120.706 0.937 . . . . 6.6500000000000004 109.872 175.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 t -60.53 135.14 25.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 121.559 -0.713 . . . . 6.1399999999999997 110.371 -175.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -100.53 101.05 11.88 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-N 113.765 -1.561 . . . . 4.9800000000000004 107.697 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -72.42 -27.0 62.06 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 121.783 -0.573 . . . . 10.390000000000001 111.448 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -62.61 -45.31 93.48 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 118.628 0.649 . . . . 10.609999999999999 111.852 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -114.63 4.08 14.99 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 118.644 -0.693 . . . . 8.3200000000000003 112.558 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.18 -5.82 78.44 Favored Glycine 0 C--O 1.22 -0.763 0 N-CA-C 118.201 2.04 . . . . 8.7200000000000006 118.201 167.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -110.15 -119.72 0.28 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 119.485 1.642 . . . . 11.880000000000001 107.553 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -135.27 143.56 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.579 0.704 . . . . 5.79 109.615 -172.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -76.81 158.53 30.78 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.519 -0.919 . . . . 7.46 108.519 159.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.84 -46.79 80.46 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 117.752 -1.579 . . . . 10.07 110.436 167.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -147.83 164.27 34.17 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 120.178 -0.609 . . . . 7.7800000000000002 110.483 -173.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.93 166.41 33.05 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.217 -1.031 . . . . 5.4299999999999997 108.217 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.46 170.4 28.98 Favored Glycine 0 N--CA 1.416 -2.652 0 CA-C-N 113.71 -1.586 . . . . 6.2199999999999998 113.255 -175.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.971 ' O ' ' O ' ' A' ' 117' ' ' HOH . . . . . . . . 0 CA--C 1.526 0.738 0 C-N-CA 120.135 -1.031 . . . . 15.640000000000001 113.444 -164.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.704 ' O ' ' OH ' ' A' ' 16' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . 0.971 ' O ' ' O ' ' B' ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_