data_3e7u_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 3e7u _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 ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.162 0 CA-C-O 118.367 -1.24 . . . . 27.420000000000002 111.549 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 2' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 57.41 37.01 27.74 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.512 1.156 . . . . 27.350000000000001 109.499 173.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.4 -13.19 63.11 Favored Glycine 0 CA--C 1.502 -0.735 0 O-C-N 124.181 0.926 . . . . 21.899999999999999 114.294 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 4' ' ' CYS . . . . . . . . . . . . . 79.4 m -97.07 94.66 7.29 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 106.609 -1.626 . . . . 23.370000000000001 106.609 -175.919 -59.061 -60.751 -81.399 105.581 2.057 103.878 -54.792 -59.767 1 1 . 1 . 001 ecloud orig full ' X' X ' 5' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -124.94 34.29 5.02 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 125.736 2.684 . . . . 38.140000000000001 111.639 -173.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.97 178.59 26.59 Favored Glycine 0 C--N 1.293 -1.828 0 CA-C-N 112.378 -2.192 . . . . 28.0 108.845 168.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -69.99 -11.79 31.22 Favored 'Trans proline' 0 N--CA 1.405 -3.682 0 O-C-N 125.226 2.171 . . . . 34.310000000000002 112.743 -170.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 8' ' ' TRP . . . . . . . . . . . . . 18.4 m-90 -105.7 5.96 31.49 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 114.286 1.217 . . . . 57.200000000000003 114.286 176.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -154.75 62.71 0.66 Allowed 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 106.296 -1.742 . . . . 40.82 106.296 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -110.04 87.31 2.48 Favored 'General case' 0 C--O 1.263 1.806 0 CA-C-N 114.825 -1.08 . . . . 38.770000000000003 110.06 -172.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 11' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -95.01 78.95 3.58 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-O 123.415 1.578 . . . . 24.870000000000001 108.622 -174.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 12' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -54.91 -36.07 64.81 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.701 -1.136 . . . . 27.27 113.12 -178.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 13' ' ' MET . . . . . . . . . . . . . 60.4 tpp -68.15 -37.9 81.55 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 118.734 -1.186 . . . . 43.509999999999998 112.321 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.48 -45.18 95.34 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 108.322 -0.992 . . . . 25.050000000000001 108.322 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 t -63.25 -44.04 96.3 Favored 'General case' 0 C--O 1.252 1.212 0 C-N-CA 118.553 -1.259 . . . . 19.48 112.643 178.479 169.768 62.539 89.335 106.993 2.071 105.435 52.58 177.138 1 1 . 1 . 001 ecloud orig full ' X' X ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -56.09 -47.33 78.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 122.263 1.03 . . . . 28.649999999999999 112.017 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 17' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -67.86 -36.63 80.63 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 119.811 -0.756 . . . . 27.149999999999999 111.079 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -59.16 -51.02 71.82 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 122.105 0.955 . . . . 23.530000000000001 109.288 173.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 89.1 m -61.65 -40.95 96.73 Favored 'General case' 0 C--O 1.26 1.642 0 O-C-N 121.598 -0.689 . . . . 19.390000000000001 111.977 -176.109 -68.099 -76.694 -74.241 102.124 2.007 107.251 -44.905 -58.934 1 1 . 1 . 001 ecloud orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.75 -19.71 65.99 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.098 0.777 . . . . 38.439999999999998 113.098 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 21' ' ' SER . . . . . . . . . . . . . 54.5 p -79.43 -9.33 59.58 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 124.106 0.879 . . . . 27.629999999999999 113.063 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 71.4 mt -97.44 121.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 O-C-N 125.045 1.466 . . . . 27.829999999999998 110.333 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -47.65 123.73 6.24 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.428 -1.26 . . . . 39.939999999999998 111.045 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.68 -11.7 59.42 Favored Glycine 0 N--CA 1.475 1.289 0 CA-C-N 115.385 -0.825 . . . . 32.130000000000003 114.504 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -102.68 147.22 27.09 Favored 'General case' 0 CA--C 1.491 -1.307 0 N-CA-C 107.796 -1.187 . . . . 36.630000000000003 107.796 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -98.03 -23.92 15.57 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 123.316 1.531 . . . . 38.280000000000001 113.521 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.5 -174.18 46.74 Favored Glycine 0 CA--C 1.467 -2.946 0 N-CA-C 108.559 -1.816 . . . . 22.77 108.559 -171.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.3 168.07 40.64 Favored Glycine 0 C--O 1.257 1.578 0 CA-C-N 112.817 -1.692 . . . . 17.809999999999999 111.72 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -158.54 165.02 35.54 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.609 -0.886 . . . . 23.739999999999998 108.609 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 84.6 m -79.36 132.15 36.33 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 124.119 0.887 . . . . 20.129999999999999 112.598 176.739 -59.767 -54.792 -81.399 103.878 2.057 105.581 -60.751 -59.061 1 1 . 1 . 001 ecloud orig full ' X' X ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.04 178.6 6.29 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.078 -1.082 . . . . 19.879999999999999 108.078 -176.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 32' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 57.36 51.31 10.12 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-O 122.231 1.015 . . . . 23.079999999999998 110.175 175.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.16 19.55 78.37 Favored Glycine 0 C--O 1.225 -0.443 0 C-N-CA 119.757 -1.211 . . . . 19.550000000000001 111.048 172.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.7 0.89 71.66 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-O 118.439 -1.201 . . . . 18.25 114.216 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 35' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -97.86 -11.04 23.69 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.865 1.431 . . . . 22.140000000000001 114.865 -171.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.21 126.97 74.26 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.145 0 CA-C-N 118.379 0.536 . . . . 23.07 109.774 -172.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.11 114.82 20.91 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.575 -0.85 . . . . 21.050000000000001 108.788 169.258 177.138 52.58 89.335 105.435 2.071 106.993 62.539 169.768 1 1 . 1 . 001 ecloud orig full ' X' X ' 38' ' ' LYS . . . . . 0.472 ' NZ ' ' O ' ' X' ' 83' ' ' HOH . 81.4 tttt -104.58 113.86 27.71 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 123.957 0.903 . . . . 37.619999999999997 109.037 -177.2 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 39' ' ' CYS . . . . . . . . . . . . . 77.3 m -90.23 151.89 21.32 Favored 'General case' 0 CA--C 1.504 -0.821 0 O-C-N 121.472 -0.768 . . . . 23.329999999999998 110.036 175.93 -58.934 -44.905 -74.241 107.251 2.007 102.124 -76.694 -68.099 1 1 . 1 . 001 ecloud orig full ' X' X ' 40' ' ' TYR . . . . . . . . . . . . . 52.6 p90 . . . . . 0 C--O 1.301 3.814 0 CA-C-O 113.966 -2.921 . . . . 30.0 111.165 174.788 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 83' ' ' HOH . . . . . 0.472 ' O ' ' NZ ' ' X' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.162 0 CA-C-O 118.367 -1.24 . . . . 27.42 111.549 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 2' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 57.41 37.01 27.74 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.512 1.156 . . . . 27.35 109.499 173.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.4 -13.19 63.11 Favored Glycine 0 CA--C 1.502 -0.735 0 O-C-N 124.181 0.926 . . . . 21.9 114.294 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 4' ' ' CYS . . . . . . . . . . . . . 79.4 m -97.07 94.66 7.29 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 106.609 -1.626 . . . . 23.37 106.609 -175.919 -59.061 -60.751 -81.399 105.581 2.057 103.878 -54.792 -59.767 1 1 . 1 . 001 ecloud build full ' X' X ' 5' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -124.94 34.29 5.02 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 125.736 2.684 . . . . 38.14 111.639 -173.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.97 178.59 26.59 Favored Glycine 0 C--N 1.293 -1.828 0 CA-C-N 112.378 -2.192 . . . . 28.0 108.845 168.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -69.99 -11.79 31.22 Favored 'Trans proline' 0 N--CA 1.405 -3.682 0 O-C-N 125.226 2.171 . . . . 34.31 112.743 -170.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 8' ' ' TRP . . . . . . . . . . . . . 18.4 m-90 -105.7 5.96 31.49 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 114.286 1.217 . . . . 57.2 114.286 176.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -154.75 62.71 0.66 Allowed 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 106.296 -1.742 . . . . 40.82 106.296 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -110.04 87.31 2.48 Favored 'General case' 0 C--O 1.263 1.806 0 CA-C-N 114.825 -1.08 . . . . 38.77 110.06 -172.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 11' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -95.01 78.95 3.58 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-O 123.415 1.578 . . . . 24.87 108.622 -174.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 12' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -54.91 -36.07 64.81 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.701 -1.136 . . . . 27.27 113.12 -178.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 13' ' ' MET . . . . . . . . . . . . . 60.4 tpp -68.15 -37.9 81.55 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 118.734 -1.186 . . . . 43.51 112.321 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.48 -45.18 95.34 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 108.322 -0.992 . . . . 25.05 108.322 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 t -63.25 -44.04 96.3 Favored 'General case' 0 C--O 1.252 1.212 0 C-N-CA 118.553 -1.259 . . . . 19.48 112.643 178.479 169.768 62.539 89.335 106.993 2.071 105.435 52.58 177.138 1 1 . 1 . 001 ecloud build full ' X' X ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -56.09 -47.33 78.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 122.263 1.03 . . . . 28.65 112.017 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 17' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -67.86 -36.63 80.63 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 119.811 -0.756 . . . . 27.15 111.079 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -59.16 -51.02 71.82 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 122.105 0.955 . . . . 23.53 109.288 173.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 89.1 m -61.65 -40.95 96.73 Favored 'General case' 0 C--O 1.26 1.642 0 O-C-N 121.598 -0.689 . . . . 19.39 111.977 -176.109 -68.099 -76.694 -74.241 102.124 2.007 107.251 -44.905 -58.934 1 1 . 1 . 001 ecloud build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.75 -19.71 65.99 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.098 0.777 . . . . 38.44 113.098 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 21' ' ' SER . . . . . . . . . . . . . 54.5 p -79.43 -9.33 59.58 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 124.106 0.879 . . . . 27.63 113.063 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 71.4 mt -97.44 121.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 O-C-N 125.045 1.466 . . . . 27.83 110.333 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -47.65 123.73 6.24 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.428 -1.26 . . . . 39.94 111.045 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.68 -11.7 59.42 Favored Glycine 0 N--CA 1.475 1.289 0 CA-C-N 115.385 -0.825 . . . . 32.13 114.504 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -102.68 147.22 27.09 Favored 'General case' 0 CA--C 1.491 -1.307 0 N-CA-C 107.796 -1.187 . . . . 36.63 107.796 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -98.03 -23.92 15.57 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 123.316 1.531 . . . . 38.28 113.521 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.5 -174.18 46.74 Favored Glycine 0 CA--C 1.467 -2.946 0 N-CA-C 108.559 -1.816 . . . . 22.77 108.559 -171.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.3 168.07 40.64 Favored Glycine 0 C--O 1.257 1.578 0 CA-C-N 112.817 -1.692 . . . . 17.81 111.72 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -158.54 165.02 35.54 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.609 -0.886 . . . . 23.74 108.609 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 84.6 m -79.36 132.15 36.33 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 124.119 0.887 . . . . 20.13 112.598 176.739 -59.767 -54.792 -81.399 103.878 2.057 105.581 -60.751 -59.061 1 1 . 1 . 001 ecloud build full ' X' X ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.04 178.6 6.29 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.078 -1.082 . . . . 19.88 108.078 -176.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 32' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 57.36 51.31 10.12 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-O 122.231 1.015 . . . . 23.08 110.175 175.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.16 19.55 78.37 Favored Glycine 0 C--O 1.225 -0.443 0 C-N-CA 119.757 -1.211 . . . . 19.55 111.048 172.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.7 0.89 71.66 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-O 118.439 -1.201 . . . . 18.25 114.216 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 35' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -97.86 -11.04 23.69 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.865 1.431 . . . . 22.14 114.865 -171.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.21 126.97 74.26 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.145 0 CA-C-N 118.379 0.536 . . . . 23.07 109.774 -172.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.11 114.82 20.91 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.575 -0.85 . . . . 21.05 108.788 169.258 177.138 52.58 89.335 105.435 2.071 106.993 62.539 169.768 1 1 . 1 . 001 ecloud build full ' X' X ' 38' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -104.58 113.86 27.71 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 123.957 0.903 . . . . 37.62 109.037 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 39' ' ' CYS . . . . . . . . . . . . . 77.3 m -90.23 151.89 21.32 Favored 'General case' 0 CA--C 1.504 -0.821 0 O-C-N 121.472 -0.768 . . . . 23.33 110.036 175.93 -58.934 -44.905 -74.241 107.251 2.007 102.124 -76.694 -68.099 1 1 . 1 . 001 ecloud build full ' X' X ' 40' ' ' TYR . . . . . . . . . . . . . 52.6 p90 . . . . . 0 C--O 1.301 3.814 0 CA-C-O 113.966 -2.921 . . . . 30.0 111.165 174.788 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.162 0 CA-C-O 118.367 -1.24 . . . . 27.420000000000002 111.549 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 2' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 57.41 37.01 27.74 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.512 1.156 . . . . 27.350000000000001 109.499 173.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.4 -13.19 63.11 Favored Glycine 0 CA--C 1.502 -0.735 0 O-C-N 124.181 0.926 . . . . 21.899999999999999 114.294 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 4' ' ' CYS . . . . . . . . . . . . . 79.4 m -97.07 94.66 7.29 Favored 'General case' 0 C--O 1.251 1.157 0 N-CA-C 106.609 -1.626 . . . . 23.370000000000001 106.609 -175.919 -59.061 -60.751 -81.399 105.581 2.057 103.878 -54.792 -59.767 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 5' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -124.94 34.29 5.02 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 125.736 2.684 . . . . 38.140000000000001 111.639 -173.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.97 178.59 26.59 Favored Glycine 0 C--N 1.293 -1.828 0 CA-C-N 112.378 -2.192 . . . . 28.0 108.845 168.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -69.99 -11.79 31.22 Favored 'Trans proline' 0 N--CA 1.405 -3.682 0 O-C-N 125.226 2.171 . . . . 34.310000000000002 112.743 -170.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 8' ' ' TRP . . . . . . . . . . . . . 18.4 m-90 -105.7 5.96 31.49 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 114.286 1.217 . . . . 57.200000000000003 114.286 176.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -154.75 62.71 0.66 Allowed 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 106.296 -1.742 . . . . 40.82 106.296 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -110.04 87.31 2.48 Favored 'General case' 0 C--O 1.263 1.806 0 CA-C-N 114.825 -1.08 . . . . 38.770000000000003 110.06 -172.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 11' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -95.01 78.95 3.58 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-O 123.415 1.578 . . . . 24.870000000000001 108.622 -174.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 12' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -54.91 -36.07 64.81 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.701 -1.136 . . . . 27.27 113.12 -178.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 13' ' ' MET . . . . . . . . . . . . . 60.4 tpp -68.15 -37.9 81.55 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 118.734 -1.186 . . . . 43.509999999999998 112.321 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.48 -45.18 95.34 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 108.322 -0.992 . . . . 25.050000000000001 108.322 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 t -63.25 -44.04 96.3 Favored 'General case' 0 C--O 1.252 1.212 0 C-N-CA 118.553 -1.259 . . . . 19.48 112.643 178.479 169.768 62.539 89.335 106.993 2.071 105.435 52.58 177.138 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -56.09 -47.33 78.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 122.263 1.03 . . . . 28.649999999999999 112.017 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 17' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -67.86 -36.63 80.63 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 119.811 -0.756 . . . . 27.149999999999999 111.079 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -59.16 -51.02 71.82 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 122.105 0.955 . . . . 23.530000000000001 109.288 173.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 89.1 m -61.65 -40.95 96.73 Favored 'General case' 0 C--O 1.26 1.642 0 O-C-N 121.598 -0.689 . . . . 19.390000000000001 111.977 -176.109 -68.099 -76.694 -74.241 102.124 2.007 107.251 -44.905 -58.934 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.75 -19.71 65.99 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.098 0.777 . . . . 38.439999999999998 113.098 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 21' ' ' SER . . . . . . . . . . . . . 54.5 p -79.43 -9.33 59.58 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 124.106 0.879 . . . . 27.629999999999999 113.063 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 71.4 mt -97.44 121.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 O-C-N 125.045 1.466 . . . . 27.829999999999998 110.333 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -47.65 123.73 6.24 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 114.428 -1.26 . . . . 39.939999999999998 111.045 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.68 -11.7 59.42 Favored Glycine 0 N--CA 1.475 1.289 0 CA-C-N 115.385 -0.825 . . . . 32.130000000000003 114.504 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -102.68 147.22 27.09 Favored 'General case' 0 CA--C 1.491 -1.307 0 N-CA-C 107.796 -1.187 . . . . 36.630000000000003 107.796 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -98.03 -23.92 15.57 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 123.316 1.531 . . . . 38.280000000000001 113.521 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.5 -174.18 46.74 Favored Glycine 0 CA--C 1.467 -2.946 0 N-CA-C 108.559 -1.816 . . . . 22.77 108.559 -171.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.3 168.07 40.64 Favored Glycine 0 C--O 1.257 1.578 0 CA-C-N 112.817 -1.692 . . . . 17.809999999999999 111.72 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -158.54 165.02 35.54 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.609 -0.886 . . . . 23.739999999999998 108.609 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 84.6 m -79.36 132.15 36.33 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 124.119 0.887 . . . . 20.129999999999999 112.598 176.739 -59.767 -54.792 -81.399 103.878 2.057 105.581 -60.751 -59.061 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.04 178.6 6.29 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.078 -1.082 . . . . 19.879999999999999 108.078 -176.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 32' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 57.36 51.31 10.12 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-O 122.231 1.015 . . . . 23.079999999999998 110.175 175.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.16 19.55 78.37 Favored Glycine 0 C--O 1.225 -0.443 0 C-N-CA 119.757 -1.211 . . . . 19.550000000000001 111.048 172.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.7 0.89 71.66 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-O 118.439 -1.201 . . . . 18.25 114.216 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 35' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -97.86 -11.04 23.69 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.865 1.431 . . . . 22.140000000000001 114.865 -171.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.21 126.97 74.26 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.145 0 CA-C-N 118.379 0.536 . . . . 23.07 109.774 -172.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.11 114.82 20.91 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.575 -0.85 . . . . 21.050000000000001 108.788 169.258 177.138 52.58 89.335 105.435 2.071 106.993 62.539 169.768 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 38' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -104.58 113.86 27.71 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 123.957 0.903 . . . . 37.619999999999997 109.037 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 39' ' ' CYS . . . . . . . . . . . . . 77.3 m -90.23 151.89 21.32 Favored 'General case' 0 CA--C 1.504 -0.821 0 O-C-N 121.472 -0.768 . . . . 23.329999999999998 110.036 175.93 -58.934 -44.905 -74.241 107.251 2.007 102.124 -76.694 -68.099 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 40' ' ' TYR . . . . . . . . . . . . . 52.6 p90 . . . . . 0 C--O 1.301 3.814 0 CA-C-O 113.966 -2.921 . . . . 30.0 111.165 174.788 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_