data_6e6o_residue ############################ # Computer software used # ############################ 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 6e6o _Structure_validation_residue.Date_analyzed 2019-08-02 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' ' ' ASP . . . . . . . . . . . . . 53.1 p30 . . . . . 0 N--CA 1.506 2.345 0 N-CA-C 106.129 -1.804 . . . . 13.36 106.129 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.14 88.99 Favored 'General case' 0 C--O 1.183 -2.402 0 C-N-CA 120.452 -0.499 . . . . 8.47 111.985 -177.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.9 t -53.48 -53.86 45.39 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.257 0.973 . . . . 7.66 112.215 175.352 171.555 80.446 92.372 104.217 2.013 102.861 -77.438 -53.3 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -59.02 -46.19 88.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.207 1.479 . . . . 11.78 108.442 -177.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.72 -33.48 72.55 Favored 'General case' 0 CA--C 1.48 -1.726 0 O-C-N 121.247 -0.908 . . . . 26.59 112.361 -176.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.97 85.24 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 117.92 -2.987 . . . . 8.41 110.797 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.5 -48.32 66.06 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-N 120.699 1.59 . . . . 5.29 111.39 169.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.38 -27.31 38.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 119.813 -0.755 . . . . 8.32 111.082 -175.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -69.98 -17.19 63.28 Favored 'General case' 0 CA--C 1.593 2.6 0 N-CA-C 113.592 0.96 . . . . 6.91 113.592 174.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.1 m 71.81 41.09 0.71 Allowed 'General case' 0 C--N 1.308 -1.211 0 O-C-N 124.783 1.302 . . . . 7.67 112.162 176.384 -55.547 -71.211 -81.999 101.94 2.029 101.988 -86.292 -70.613 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.74 89.35 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 107.232 -1.395 . . . . 6.07 107.232 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -64.32 -31.02 72.06 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 119.192 -1.003 . . . . 8.87 112.196 -172.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.8 p -55.16 -32.24 61.98 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.746 1.157 . . . . 9.94 113.475 177.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.45 -2.42 38.42 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-N 114.468 -1.242 . . . . 7.92 112.933 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . 0.266 97.8 m -95.13 -6.33 42.11 Favored 'General case' 0 C--O 1.193 -1.901 0 C-N-CA 116.885 -1.926 . . . . 6.92 109.215 174.509 -65.35 -58.653 -78.395 103.998 2.039 105.186 -99.066 -175.164 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -75.26 -41.23 57.82 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 118.86 -1.136 . . . . 33.31 111.884 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.6 p -83.24 -24.97 32.09 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 117.592 -1.643 . . . . 15.76 113.343 -173.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -107.28 -12.88 15.26 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 114.183 1.179 . . . . 14.93 114.183 -175.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.4 m -107.17 147.55 29.97 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.021 -1.049 . . . . 7.05 109.764 -178.211 -53.3 -77.438 92.372 102.861 2.013 104.217 80.446 171.555 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -69.67 157.02 38.05 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-O 122.577 1.179 . . . . 15.47 110.051 173.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . 0.307 47.0 tt0 -59.88 155.1 17.1 Favored 'General case' 0 C--O 1.179 -2.632 0 O-C-N 121.384 -0.823 . . . . 11.35 109.781 174.569 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.01 -133.73 11.99 Favored Glycine 0 C--O 1.209 -1.413 0 C-N-CA 126.745 2.117 . . . . 7.93 109.566 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -62.45 -33.17 74.3 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 116.886 -1.53 . . . . 25.58 112.111 -168.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -72.2 -31.32 65.77 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 124.807 2.241 . . . . 5.85 109.688 -179.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -67.74 -38.98 84.23 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 113.318 -1.765 . . . . 8.98 112.107 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.7 m -60.85 -43.79 97.84 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 119.44 -0.904 . . . . 6.6 109.749 176.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.92 -29.62 74.9 Favored Glycine 0 C--O 1.252 1.258 0 C-N-CA 119.457 -1.354 . . . . 4.83 112.513 -175.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 28' ' ' CYS 0.274 44.7 t -78.85 -35.34 44.09 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.239 -0.652 . . . . 5.4 109.239 177.002 -175.164 -99.066 -78.395 105.186 2.039 103.998 -58.653 -65.35 3 3 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -60.77 -45.19 95.3 Favored 'General case' 0 CA--C 1.495 -1.146 0 CA-C-O 121.418 0.627 . . . . 7.39 111.866 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 19.4 mtp -55.63 -45.55 77.54 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 119.15 -1.02 . . . . 10.14 111.693 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -60.62 -50.47 73.39 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.325 -0.95 . . . . 6.49 109.933 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.9 mt -54.95 -48.4 75.24 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 CA-C-O 122.001 0.905 . . . . 6.25 110.36 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.7 -30.82 71.0 Favored 'General case' 0 C--O 1.293 3.355 0 CA-C-O 117.78 -1.105 . . . . 11.15 110.037 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . 0.825 ' OG ' ' O ' ' A' ' 101' ' ' HOH 0.252 23.2 p -80.72 -24.43 38.78 Favored 'General case' 0 C--N 1.279 -2.487 0 CA-C-O 116.821 -1.561 . . . . 7.43 109.306 -176.953 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -149.08 7.54 0.71 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 116.126 -2.229 . . . . 7.22 114.817 -151.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -111.77 148.66 39.41 Favored Pre-proline 0 C--O 1.16 -3.648 0 O-C-N 124.212 0.945 . . . . 8.54 110.267 179.023 -70.613 -86.292 -81.999 101.988 2.029 101.94 -71.211 -55.547 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -61.02 144.02 99.39 Favored 'Trans proline' 0 C--N 1.363 1.334 0 CA-C-O 115.837 -1.818 . . . . 24.85 109.249 168.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -92.79 15.03 46.79 Favored 'Cis proline' 0 CA--C 1.458 -3.276 0 CA-C-N 122.54 1.943 . . . . 19.54 111.394 0.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -74.28 -25.57 59.68 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 118.294 -1.362 . . . . 19.58 112.859 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 CA--C 1.46 -2.502 0 N-CA-C 105.651 -1.981 . . . . 22.48 105.651 170.748 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.825 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 53.1 p30 . . . . . 0 N--CA 1.506 2.345 0 N-CA-C 106.129 -1.804 . . . . 13.36 106.129 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.14 88.99 Favored 'General case' 0 C--O 1.183 -2.402 0 C-N-CA 120.452 -0.499 . . . . 8.47 111.985 -177.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.9 t -53.48 -53.86 45.39 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.257 0.973 . . . . 7.66 112.215 175.352 171.555 80.446 92.372 104.217 2.013 102.861 -77.438 -53.3 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -59.02 -46.19 88.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.207 1.479 . . . . 11.78 108.442 -177.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.72 -33.48 72.55 Favored 'General case' 0 CA--C 1.48 -1.726 0 O-C-N 121.247 -0.908 . . . . 26.59 112.361 -176.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.97 85.24 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 117.92 -2.987 . . . . 8.41 110.797 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.5 -48.32 66.06 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-N 120.699 1.59 . . . . 5.29 111.39 169.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.38 -27.31 38.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 119.813 -0.755 . . . . 8.32 111.082 -175.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -69.98 -17.19 63.28 Favored 'General case' 0 CA--C 1.593 2.6 0 N-CA-C 113.592 0.96 . . . . 7.63 113.592 174.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.1 m 71.81 41.09 0.71 Allowed 'General case' 0 C--N 1.308 -1.211 0 O-C-N 124.783 1.302 . . . . 7.67 112.162 176.384 -55.547 -71.211 -81.999 101.94 2.029 101.988 -86.292 -70.613 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.74 89.35 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 107.232 -1.395 . . . . 6.07 107.232 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -64.32 -31.02 72.06 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 119.192 -1.003 . . . . 8.87 112.196 -172.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.8 p -55.16 -32.24 61.98 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.746 1.157 . . . . 9.94 113.475 177.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.45 -2.42 38.42 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-N 114.468 -1.242 . . . . 7.92 112.933 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . 0.266 97.8 m -95.13 -6.33 42.11 Favored 'General case' 0 C--O 1.193 -1.901 0 C-N-CA 116.885 -1.926 . . . . 6.92 109.215 174.509 -65.35 -58.653 -78.395 103.998 2.039 105.186 -99.066 -175.164 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -75.26 -41.23 57.82 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 118.86 -1.136 . . . . 33.31 111.884 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.6 p -83.24 -24.97 32.09 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 117.592 -1.643 . . . . 15.76 113.343 -173.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -107.28 -12.88 15.26 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 114.183 1.179 . . . . 14.93 114.183 -175.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.4 m -107.17 147.55 29.97 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.021 -1.049 . . . . 7.05 109.764 -178.211 -53.3 -77.438 92.372 102.861 2.013 104.217 80.446 171.555 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 24' ' ' ASP . 24.6 p -69.67 157.02 38.05 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-O 122.577 1.179 . . . . 15.47 110.051 173.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . 0.307 47.0 tt0 -59.88 155.1 17.1 Favored 'General case' 0 C--O 1.179 -2.632 0 O-C-N 121.384 -0.823 . . . . 11.35 109.781 174.569 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.01 -133.73 11.99 Favored Glycine 0 C--O 1.209 -1.413 0 C-N-CA 126.745 2.117 . . . . 7.93 109.566 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -62.45 -33.17 74.3 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 116.886 -1.53 . . . . 25.58 112.111 -168.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 20' ' ' THR . 20.5 t0 -72.2 -31.32 65.77 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 124.807 2.241 . . . . 8.03 109.688 -179.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -67.74 -38.98 84.23 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 113.318 -1.765 . . . . 8.98 112.107 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.7 m -60.85 -43.79 97.84 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 119.44 -0.904 . . . . 6.6 109.749 176.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.92 -29.62 74.9 Favored Glycine 0 C--O 1.252 1.258 0 C-N-CA 119.457 -1.354 . . . . 4.83 112.513 -175.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 28' ' ' CYS 0.274 44.7 t -78.85 -35.34 44.09 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.239 -0.652 . . . . 5.4 109.239 177.002 -175.164 -99.066 -78.395 105.186 2.039 103.998 -58.653 -65.35 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -60.77 -45.19 95.3 Favored 'General case' 0 CA--C 1.495 -1.146 0 CA-C-O 121.418 0.627 . . . . 7.39 111.866 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 19.4 mtp -55.63 -45.55 77.54 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 119.15 -1.02 . . . . 11.77 111.693 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -60.62 -50.47 73.39 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.325 -0.95 . . . . 6.49 109.933 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.9 mt -54.95 -48.4 75.24 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 CA-C-O 122.001 0.905 . . . . 6.25 110.36 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.7 -30.82 71.0 Favored 'General case' 0 C--O 1.293 3.355 0 CA-C-O 117.78 -1.105 . . . . 11.15 110.037 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . 0.791 ' OG ' ' O ' ' A' ' 101' ' ' HOH 0.252 23.2 p -80.72 -24.43 38.78 Favored 'General case' 0 C--N 1.279 -2.487 0 CA-C-O 116.821 -1.561 . . . . 12.0 109.306 -176.953 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -149.08 7.54 0.71 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 116.126 -2.229 . . . . 7.22 114.817 -151.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -111.77 148.66 39.41 Favored Pre-proline 0 C--O 1.16 -3.648 0 O-C-N 124.212 0.945 . . . . 8.54 110.267 179.023 -70.613 -86.292 -81.999 101.988 2.029 101.94 -71.211 -55.547 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -61.02 144.02 99.39 Favored 'Trans proline' 0 C--N 1.363 1.334 0 CA-C-O 115.837 -1.818 . . . . 24.85 109.249 168.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -92.79 15.03 46.79 Favored 'Cis proline' 0 CA--C 1.458 -3.276 0 CA-C-N 122.54 1.943 . . . . 19.54 111.394 0.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -74.28 -25.57 59.68 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 118.294 -1.362 . . . . 19.58 112.859 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 CA--C 1.46 -2.502 0 N-CA-C 105.651 -1.981 . . . . 22.48 105.651 170.748 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.791 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 53.1 p30 . . . . . 0 N--CA 1.506 2.345 0 N-CA-C 106.129 -1.804 . . . . 13.359999999999999 106.129 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.14 88.99 Favored 'General case' 0 C--O 1.183 -2.402 0 C-N-CA 120.452 -0.499 . . . . 8.4700000000000006 111.985 -177.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.9 t -53.48 -53.86 45.39 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.257 0.973 . . . . 7.6600000000000001 112.215 175.352 171.555 80.446 92.372 104.217 2.013 102.861 -77.438 -53.3 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -59.02 -46.19 88.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.207 1.479 . . . . 11.779999999999999 108.442 -177.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.72 -33.48 72.55 Favored 'General case' 0 CA--C 1.48 -1.726 0 O-C-N 121.247 -0.908 . . . . 26.59 112.361 -176.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.97 85.24 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 117.92 -2.987 . . . . 8.4100000000000001 110.797 175.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.5 -48.32 66.06 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-N 120.699 1.59 . . . . 5.29 111.39 169.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.38 -27.31 38.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 119.813 -0.755 . . . . 8.3200000000000003 111.082 -175.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -69.98 -17.19 63.28 Favored 'General case' 0 CA--C 1.593 2.6 0 N-CA-C 113.592 0.96 . . . . 7.6299999999999999 113.592 174.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.1 m 71.81 41.09 0.71 Allowed 'General case' 0 C--N 1.308 -1.211 0 O-C-N 124.783 1.302 . . . . 7.6699999999999999 112.162 176.384 -55.547 -71.211 -81.999 101.94 2.029 101.988 -86.292 -70.613 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.74 89.35 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 107.232 -1.395 . . . . 6.0700000000000003 107.232 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -64.32 -31.02 72.06 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 119.192 -1.003 . . . . 8.8699999999999992 112.196 -172.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.8 p -55.16 -32.24 61.98 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.746 1.157 . . . . 9.9399999999999995 113.475 177.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.45 -2.42 38.42 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-N 114.468 -1.242 . . . . 7.9199999999999999 112.933 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . 0.266 97.8 m -95.13 -6.33 42.11 Favored 'General case' 0 C--O 1.193 -1.901 0 C-N-CA 116.885 -1.926 . . . . 6.9199999999999999 109.215 174.509 -65.35 -58.653 -78.395 103.998 2.039 105.186 -99.066 -175.164 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -75.26 -41.23 57.82 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 118.86 -1.136 . . . . 33.310000000000002 111.884 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.6 p -83.24 -24.97 32.09 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 117.592 -1.643 . . . . 15.76 113.343 -173.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -107.28 -12.88 15.26 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 114.183 1.179 . . . . 14.93 114.183 -175.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.4 m -107.17 147.55 29.97 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.021 -1.049 . . . . 7.0499999999999998 109.764 -178.211 -53.3 -77.438 92.372 102.861 2.013 104.217 80.446 171.555 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 24' ' ' ASP . 24.6 p -69.67 157.02 38.05 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-O 122.577 1.179 . . . . 15.470000000000001 110.051 173.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . 0.307 47.0 tt0 -59.88 155.1 17.1 Favored 'General case' 0 C--O 1.179 -2.632 0 O-C-N 121.384 -0.823 . . . . 11.35 109.781 174.569 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.01 -133.73 11.99 Favored Glycine 0 C--O 1.209 -1.413 0 C-N-CA 126.745 2.117 . . . . 7.9299999999999997 109.566 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -62.45 -33.17 74.3 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 116.886 -1.53 . . . . 25.579999999999998 112.111 -168.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 20' ' ' THR . 20.5 t0 -72.2 -31.32 65.77 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 124.807 2.241 . . . . 8.0299999999999994 109.688 -179.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -67.74 -38.98 84.23 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 113.318 -1.765 . . . . 8.9800000000000004 112.107 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.7 m -60.85 -43.79 97.84 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 119.44 -0.904 . . . . 6.5999999999999996 109.749 176.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.92 -29.62 74.9 Favored Glycine 0 C--O 1.252 1.258 0 C-N-CA 119.457 -1.354 . . . . 4.8300000000000001 112.513 -175.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 28' ' ' CYS 0.274 44.7 t -78.85 -35.34 44.09 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.239 -0.652 . . . . 5.4000000000000004 109.239 177.002 -175.164 -99.066 -78.395 105.186 2.039 103.998 -58.653 -65.35 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -60.77 -45.19 95.3 Favored 'General case' 0 CA--C 1.495 -1.146 0 CA-C-O 121.418 0.627 . . . . 7.3899999999999997 111.866 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 19.4 mtp -55.63 -45.55 77.54 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 119.15 -1.02 . . . . 11.77 111.693 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -60.62 -50.47 73.39 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.325 -0.95 . . . . 6.4900000000000002 109.933 175.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.9 mt -54.95 -48.4 75.24 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 CA-C-O 122.001 0.905 . . . . 6.25 110.36 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.7 -30.82 71.0 Favored 'General case' 0 C--O 1.293 3.355 0 CA-C-O 117.78 -1.105 . . . . 11.15 110.037 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . 0.791 ' OG ' ' O ' ' A' ' 101' ' ' HOH 0.252 23.2 p -80.72 -24.43 38.78 Favored 'General case' 0 C--N 1.279 -2.487 0 CA-C-O 116.821 -1.561 . . . . 12.0 109.306 -176.953 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -149.08 7.54 0.71 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 116.126 -2.229 . . . . 7.2199999999999998 114.817 -151.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -111.77 148.66 39.41 Favored Pre-proline 0 C--O 1.16 -3.648 0 O-C-N 124.212 0.945 . . . . 8.5399999999999991 110.267 179.023 -70.613 -86.292 -81.999 101.988 2.029 101.94 -71.211 -55.547 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -61.02 144.02 99.39 Favored 'Trans proline' 0 C--N 1.363 1.334 0 CA-C-O 115.837 -1.818 . . . . 24.850000000000001 109.249 168.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -92.79 15.03 46.79 Favored 'Cis proline' 0 CA--C 1.458 -3.276 0 CA-C-N 122.54 1.943 . . . . 19.539999999999999 111.394 0.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -74.28 -25.57 59.68 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 118.294 -1.362 . . . . 19.579999999999998 112.859 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 CA--C 1.46 -2.502 0 N-CA-C 105.651 -1.981 . . . . 22.48 105.651 170.748 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.791 ' O ' ' OG ' ' A' ' 34' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_