data_6tgs_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 6tgs _Structure_validation_residue.Date_analyzed 2020-02-07 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 ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.761 0.315 . . . . 79.41 111.234 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -120.6 124.77 46.09 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.139 -1.06 . . . . 75.21 108.139 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.74 155.59 19.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.764 0.792 . . . . 59.95 111.323 -170.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp -82.49 127.37 33.24 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.241 -0.89 . . . . 38.25 109.448 169.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.11 124.5 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.934 -1.136 . . . . 38.41 107.934 172.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.5 t -114.13 126.52 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 107.601 -1.259 . . . . 23.23 107.601 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' NZ ' 'CL ' ' A' ' 109' ' ' ' CL' . 76.8 mttt -108.14 132.15 53.9 Favored 'General case' 0 C--O 1.203 -1.354 0 CA-C-O 114.93 -2.462 . . . . 45.57 111.605 168.324 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.48 133.3 67.63 Favored 'Isoleucine or valine' 1 C--N 1.203 -5.769 0 O-C-N 126.118 2.136 . . . . 19.11 107.498 -178.186 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . 0.549 ' OG ' ' OD1' ' A' ' 88' ' ' ASN . 37.2 t -118.24 121.14 39.72 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 110.152 -0.314 . . . . 24.59 110.152 177.593 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -140.35 137.0 33.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.393 -0.965 . . . . 33.49 108.393 171.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.21 44.41 64.32 Favored Glycine 0 N--CA 1.464 0.518 0 C-N-CA 120.48 -0.867 . . . . 43.62 114.4 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.63 11.15 72.52 Favored Glycine 0 C--N 1.334 0.429 0 N-CA-C 115.167 0.827 . . . . 36.19 115.167 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.0 t -121.14 132.92 69.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 124.529 1.131 . . . . 36.21 107.979 -167.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -110.78 130.47 55.57 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 123.178 0.299 . . . . 26.72 110.99 177.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -127.54 145.18 50.94 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.102 -0.703 . . . . 23.2 109.102 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -116.04 131.96 56.79 Favored 'General case' 0 C--N 1.314 -0.946 1 C-N-CA 132.83 4.452 . . . . 54.78 110.355 -172.964 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -145.37 169.74 17.71 Favored 'General case' 1 C--N 1.244 -4.014 0 O-C-N 118.35 -2.719 . . . . 24.69 108.039 163.992 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -120.21 144.91 47.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.259 0.552 . . . . 41.75 110.047 -177.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.5 t -119.47 121.62 29.92 Favored Pre-proline 0 N--CA 1.45 -0.451 0 N-CA-C 107.641 -1.244 . . . . 33.58 107.641 -174.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.99 148.48 85.81 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-O 121.91 0.713 . . . . 42.92 111.806 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -110.09 148.84 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 114.28 -1.327 . . . . 54.93 109.207 175.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -83.56 176.7 8.84 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 107.801 -1.185 . . . . 70.39 107.801 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . 0.495 ' N ' ' O1 ' ' A' ' 107' ' ' SO4 . . . -64.77 -21.36 66.75 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 116.777 -1.582 . . . . 76.46 107.969 -178.643 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . 0.601 2.4 m-80 -68.51 -26.11 65.29 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.937 1.695 . . . . 79.17 108.717 177.299 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.79 -8.25 65.65 Favored Glycine 0 C--N 1.31 -0.891 0 N-CA-C 107.543 -2.223 . . . . 59.86 107.543 -171.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -69.1 141.03 54.81 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 125.871 1.571 . . . . 68.61 109.915 177.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.59 143.47 57.59 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 116.748 -1.596 . . . . 50.88 109.763 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -88.72 52.46 2.43 Favored 'General case' 1 C--N 1.21 -5.465 0 CA-C-N 119.989 1.268 . . . . 54.82 109.64 169.206 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.4 tp -150.44 177.79 9.66 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.797 -1.092 . . . . 38.64 109.228 -177.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -139.23 169.71 17.27 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.701 0.8 . . . . 52.51 109.205 173.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.5 mmm -59.48 -36.37 75.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.432 -0.804 . . . . 31.13 111.442 -172.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.15 -44.04 96.64 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 119.422 -0.911 . . . . 28.17 111.39 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.39 -32.68 71.95 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 119.594 -1.288 . . . . 25.09 112.658 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.64 -46.1 83.97 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.178 0.513 . . . . 23.4 110.639 175.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -63.19 -37.12 86.0 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.919 -0.712 . . . . 28.76 110.961 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -67.82 -38.12 82.85 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.089 -0.644 . . . . 37.22 110.921 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -66.85 -45.15 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.678 -0.809 . . . . 31.29 110.341 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.5 mt -63.17 -40.05 87.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 120.142 -0.623 . . . . 18.66 110.939 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.26 97.27 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 121.747 -0.595 . . . . 18.68 111.557 177.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.27 -36.19 83.27 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 120.149 -0.62 . . . . 25.33 111.57 178.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.79 -33.55 72.52 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 112.439 0.533 . . . . 22.32 112.439 -176.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -122.54 8.3 9.55 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 112.527 0.566 . . . . 21.08 112.527 -169.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.6 t30 59.33 49.83 8.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 122.21 1.005 . . . . 30.5 111.164 -177.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mt -107.31 175.28 5.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.844 -1.071 . . . . 22.12 108.594 173.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.2 m -89.85 130.44 36.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.933 -0.576 . . . . 19.78 109.936 170.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.3 -23.8 67.58 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.205 -0.998 . . . . 24.37 112.344 176.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -99.83 11.61 38.81 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.306 0.854 . . . . 25.25 113.306 176.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 149.2 48.65 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.127 -1.029 . . . . 26.78 111.018 171.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.82 94.52 3.89 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.609 1.195 . . . . 41.85 109.582 176.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.1 mt -99.25 139.63 34.61 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.983 -1.008 . . . . 30.93 109.548 -174.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 t -86.79 117.01 25.25 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.168 -1.049 . . . . 34.42 108.168 168.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 mt -114.32 111.84 22.13 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.172 -1.418 . . . . 24.66 107.172 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.8 p -129.0 151.7 49.42 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.755 -0.378 . . . . 21.55 111.225 -174.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -134.94 157.81 45.92 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.797 -0.446 . . . . 25.47 109.797 165.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' A' ' 204' ' ' HOH . 16.2 m -96.89 122.62 40.06 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.124 -0.489 . . . . 25.36 109.784 179.279 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.6 169.44 15.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.809 0.814 . . . . 29.35 110.083 -176.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.58 -21.9 65.4 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.452 -0.794 . . . . 41.8 112.756 -177.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -87.49 13.11 10.72 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.915 0.78 . . . . 31.51 112.596 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.58 4.77 85.37 Favored Glycine 0 C--O 1.243 0.689 0 N-CA-C 115.753 1.061 . . . . 26.48 115.753 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.67 150.12 22.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.845 1.322 . . . . 22.92 108.574 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 43.9 t -89.66 138.51 19.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.834 -0.802 . . . . 19.51 108.834 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -106.6 126.31 62.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 C-N-CA 124.105 0.962 . . . . 20.42 108.7 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.0 127.12 41.73 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.704 0.288 . . . . 25.34 110.362 172.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.8 mt -83.08 98.26 9.21 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.105 -1.442 . . . . 25.6 107.105 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 m -113.33 -20.03 6.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 N-CA-C 113.092 0.775 . . . . 30.65 113.092 178.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -147.91 174.99 11.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.481 1.037 . . . . 32.98 110.242 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -63.57 -27.26 69.12 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.06 -0.973 . . . . 38.95 112.151 -176.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -64.23 -35.01 79.42 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 119.549 -0.86 . . . . 47.46 111.685 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -64.53 -36.72 85.12 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.795 -0.362 . . . . 30.0 111.61 175.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 mt -76.39 -39.9 52.41 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 119.553 -0.859 . . . . 48.77 111.001 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.62 -38.67 64.27 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.94 0.4 . . . . 64.24 110.938 172.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -76.3 -11.67 59.94 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 113.612 0.968 . . . . 48.17 113.612 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.58 -43.7 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 120.295 1.407 . . . . 41.35 107.954 170.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -73.07 -44.29 60.79 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 124.38 1.05 . . . . 61.74 109.918 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -54.69 -35.38 63.54 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 124.45 1.094 . . . . 54.68 108.103 -177.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -83.52 2.27 37.79 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 125.297 1.623 . . . . 61.4 113.295 -178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 57.63 34.55 24.66 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 118.195 -0.907 . . . . 79.78 112.638 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.8 mt -68.53 143.89 54.79 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 118.118 -0.944 . . . . 59.78 108.633 169.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -113.28 -11.48 13.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 125.087 1.492 . . . . 69.9 110.01 176.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -137.62 128.24 26.8 Favored 'General case' 1 C--N 1.191 -6.313 1 C-N-CA 140.476 7.51 . . . . 52.82 108.479 -178.144 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -131.57 122.4 26.03 Favored 'General case' 0 C--N 1.39 2.358 2 O-C-N 134.423 7.327 . . . . 30.33 109.031 172.937 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.9 tttm -106.63 117.48 34.16 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 125.122 1.514 . . . . 45.03 108.218 172.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 85.9 mt -107.87 124.44 64.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 108.954 -0.758 . . . . 22.76 108.954 -176.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASN . . . . . 0.549 ' OD1' ' OG ' ' A' ' 13' ' ' SER . 91.1 m-20 -91.79 135.83 33.61 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.031 -0.729 . . . . 45.67 109.031 171.067 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.6 t -108.5 125.09 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 N-CA-C 109.03 -0.73 . . . . 20.79 109.03 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -127.88 141.78 51.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.22 -0.659 . . . . 45.96 109.22 170.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -113.54 148.72 35.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.851 -0.613 . . . . 51.3 110.104 -174.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 CA-C-N 115.506 -0.77 . . . . 70.1 112.12 -175.998 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GOL . . . . . 0.545 ' O1 ' ' O ' ' A' ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GOL . . . . . 0.822 ' O2 ' ' O ' ' A' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' SO4 . . . . . 0.495 ' O1 ' ' N ' ' A' ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ' CL' . . . . . 0.49 'CL ' ' NZ ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' SIN . . . . . 0.762 ' O1 ' ' O ' ' A' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.822 ' O ' ' O2 ' ' A' ' 105' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.665 ' O ' ' O3 ' ' A' ' 110' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . 0.545 ' O ' ' O1 ' ' A' ' 103' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . 0.496 ' O ' ' OG ' ' A' ' 59' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.761 0.315 . . . . 79.409999999999997 111.234 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -120.6 124.77 46.09 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.139 -1.06 . . . . 75.209999999999994 108.139 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.74 155.59 19.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.764 0.792 . . . . 59.950000000000003 111.323 -170.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp -82.49 127.37 33.24 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.241 -0.89 . . . . 38.25 109.448 169.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.11 124.5 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.934 -1.136 . . . . 38.409999999999997 107.934 172.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.5 t -114.13 126.52 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 107.601 -1.259 . . . . 23.23 107.601 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -108.14 132.15 53.9 Favored 'General case' 0 C--O 1.203 -1.354 0 CA-C-O 114.93 -2.462 . . . . 45.57 111.605 168.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.48 133.3 67.63 Favored 'Isoleucine or valine' 1 C--N 1.203 -5.769 0 O-C-N 126.118 2.136 . . . . 19.109999999999999 107.498 -178.186 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . 0.549 ' OG ' ' OD1' ' A' ' 88' ' ' ASN . 37.2 t -118.24 121.14 39.72 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 110.152 -0.314 . . . . 25.309999999999999 110.152 177.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -140.35 137.0 33.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.393 -0.965 . . . . 33.490000000000002 108.393 171.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 17' ' ' VAL . . . 53.21 44.41 64.32 Favored Glycine 0 N--CA 1.464 0.518 0 C-N-CA 120.48 -0.867 . . . . 43.619999999999997 114.4 177.158 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.63 11.15 72.52 Favored Glycine 0 C--N 1.334 0.429 0 N-CA-C 115.167 0.827 . . . . 36.189999999999998 115.167 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 13' ' ' SER . 96.0 t -121.14 132.92 69.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 124.529 1.131 . . . . 36.210000000000001 107.979 -167.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -110.78 130.47 55.57 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 123.178 0.299 . . . . 26.719999999999999 110.99 177.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -127.54 145.18 50.94 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.102 -0.703 . . . . 23.199999999999999 109.102 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -116.04 131.96 56.79 Favored 'General case' 0 C--N 1.314 -0.946 1 C-N-CA 132.83 4.452 . . . . 54.780000000000001 110.355 -172.964 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -145.37 169.74 17.71 Favored 'General case' 1 C--N 1.244 -4.014 0 O-C-N 118.35 -2.719 . . . . 24.690000000000001 108.039 163.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -120.21 144.91 47.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.259 0.552 . . . . 41.75 110.047 -177.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.416 HG11 ' HG ' ' A' ' 33' ' ' LEU . 90.5 t -119.47 121.62 29.92 Favored Pre-proline 0 N--CA 1.45 -0.451 0 N-CA-C 107.641 -1.244 . . . . 33.579999999999998 107.641 -174.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.99 148.48 85.81 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-O 121.91 0.713 . . . . 42.920000000000002 111.806 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -110.09 148.84 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 114.28 -1.327 . . . . 54.93 109.207 175.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 32' ' ' ASP . 21.0 mttt -83.56 176.7 8.84 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 107.801 -1.185 . . . . 70.390000000000001 107.801 176.297 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' N ' ' O1 ' ' A' ' 107' ' ' SO4 . . . -64.77 -21.36 66.75 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 116.777 -1.582 . . . . 76.459999999999994 107.969 -178.643 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . 0.601 2.4 m-80 -68.51 -26.11 65.29 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.937 1.695 . . . . 79.170000000000002 108.717 177.299 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.79 -8.25 65.65 Favored Glycine 0 C--N 1.31 -0.891 0 N-CA-C 107.543 -2.223 . . . . 59.859999999999999 107.543 -171.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -69.1 141.03 54.81 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 125.871 1.571 . . . . 68.609999999999999 109.915 177.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . 0.813 ' HG ' HG22 ' A' ' 78' ' ' THR . 27.3 mt -65.59 143.47 57.59 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 116.748 -1.596 . . . . 50.880000000000003 109.763 177.815 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 35.7 t0 -88.72 52.46 2.43 Favored 'General case' 1 C--N 1.21 -5.465 0 CA-C-N 119.989 1.268 . . . . 54.82 109.64 169.206 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' HG ' HG11 ' A' ' 23' ' ' VAL . 18.4 tp -150.44 177.79 9.66 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.797 -1.092 . . . . 38.670000000000002 109.228 -177.292 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -139.23 169.71 17.27 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.701 0.8 . . . . 52.509999999999998 109.205 173.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.5 mmm -59.48 -36.37 75.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.432 -0.804 . . . . 31.129999999999999 111.442 -172.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.15 -44.04 96.64 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 119.422 -0.911 . . . . 28.170000000000002 111.39 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.39 -32.68 71.95 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 119.594 -1.288 . . . . 25.09 112.658 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.64 -46.1 83.97 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.178 0.513 . . . . 23.399999999999999 110.639 175.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -63.19 -37.12 86.0 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.919 -0.712 . . . . 28.760000000000002 110.961 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -67.82 -38.12 82.85 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.089 -0.644 . . . . 37.219999999999999 110.921 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -66.85 -45.15 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.678 -0.809 . . . . 31.289999999999999 110.341 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.5 mt -63.17 -40.05 87.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 120.142 -0.623 . . . . 18.66 110.939 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.26 97.27 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 121.747 -0.595 . . . . 18.68 111.557 177.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.27 -36.19 83.27 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 120.149 -0.62 . . . . 25.329999999999998 111.57 178.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.79 -33.55 72.52 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 112.439 0.533 . . . . 22.32 112.439 -176.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -122.54 8.3 9.55 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 112.527 0.566 . . . . 21.079999999999998 112.527 -169.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.6 t30 59.33 49.83 8.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 122.21 1.005 . . . . 30.5 111.164 -177.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mt -107.31 175.28 5.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.844 -1.071 . . . . 22.120000000000001 108.594 173.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.2 m -89.85 130.44 36.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.933 -0.576 . . . . 19.780000000000001 109.936 170.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.3 -23.8 67.58 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.205 -0.998 . . . . 24.370000000000001 112.344 176.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . 0.72 ' HB3' ' O ' ' A' ' 201' ' ' HOH . 52.3 p-10 -99.83 11.61 38.81 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.306 0.854 . . . . 25.25 113.306 176.318 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 149.2 48.65 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.127 -1.029 . . . . 26.780000000000001 111.018 171.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.82 94.52 3.89 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.609 1.195 . . . . 41.850000000000001 109.582 176.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.1 mt -99.25 139.63 34.61 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.983 -1.008 . . . . 30.93 109.548 -174.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 t -86.79 117.01 25.25 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.168 -1.049 . . . . 34.420000000000002 108.168 168.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 mt -114.32 111.84 22.13 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.172 -1.418 . . . . 24.66 107.172 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.8 p -129.0 151.7 49.42 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.755 -0.378 . . . . 21.550000000000001 111.225 -174.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -134.94 157.81 45.92 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.797 -0.446 . . . . 25.469999999999999 109.797 165.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -96.89 122.62 40.06 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.124 -0.489 . . . . 25.359999999999999 109.784 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.6 169.44 15.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.809 0.814 . . . . 29.350000000000001 110.083 -176.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.58 -21.9 65.4 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.452 -0.794 . . . . 41.799999999999997 112.756 -177.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -87.49 13.11 10.72 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.915 0.78 . . . . 31.510000000000002 112.596 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.58 4.77 85.37 Favored Glycine 0 C--O 1.243 0.689 0 N-CA-C 115.753 1.061 . . . . 26.48 115.753 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.67 150.12 22.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.845 1.322 . . . . 22.920000000000002 108.574 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 43.9 t -89.66 138.51 19.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.834 -0.802 . . . . 19.510000000000002 108.834 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -106.6 126.31 62.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 C-N-CA 124.105 0.962 . . . . 20.420000000000002 108.7 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.0 127.12 41.73 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.704 0.288 . . . . 25.34 110.362 172.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.8 mt -83.08 98.26 9.21 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.105 -1.442 . . . . 25.600000000000001 107.105 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 m -113.33 -20.03 6.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 N-CA-C 113.092 0.775 . . . . 30.649999999999999 113.092 178.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -147.91 174.99 11.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.481 1.037 . . . . 32.979999999999997 110.242 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -63.57 -27.26 69.12 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.06 -0.973 . . . . 38.950000000000003 112.151 -176.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -64.23 -35.01 79.42 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 119.549 -0.86 . . . . 47.460000000000001 111.685 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -64.53 -36.72 85.12 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.795 -0.362 . . . . 30.0 111.61 175.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 mt -76.39 -39.9 52.41 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 119.553 -0.859 . . . . 48.770000000000003 111.001 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.62 -38.67 64.27 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.94 0.4 . . . . 64.239999999999995 110.938 172.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -76.3 -11.67 59.94 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 113.612 0.968 . . . . 48.170000000000002 113.612 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.58 -43.7 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 120.295 1.407 . . . . 41.350000000000001 107.954 170.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . 0.813 HG22 ' HG ' ' A' ' 31' ' ' LEU . 1.4 p -73.07 -44.29 60.79 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 124.38 1.05 . . . . 61.740000000000002 109.918 -179.601 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -54.69 -35.38 63.54 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 124.45 1.094 . . . . 54.68 108.103 -177.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -83.52 2.27 37.79 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 125.297 1.623 . . . . 61.399999999999999 113.295 -178.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 57.63 34.55 24.66 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 118.195 -0.907 . . . . 79.780000000000001 112.638 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.8 mt -68.53 143.89 54.79 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 118.118 -0.944 . . . . 59.780000000000001 108.633 169.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -113.28 -11.48 13.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 125.087 1.492 . . . . 69.900000000000006 110.01 176.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -137.62 128.24 26.8 Favored 'General case' 1 C--N 1.191 -6.313 1 C-N-CA 140.476 7.51 . . . . 52.82 108.479 -178.144 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -131.57 122.4 26.03 Favored 'General case' 0 C--N 1.39 2.358 2 O-C-N 134.423 7.327 . . . . 30.329999999999998 109.031 172.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.9 tttm -106.63 117.48 34.16 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 125.122 1.514 . . . . 45.030000000000001 108.218 172.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 85.9 mt -107.87 124.44 64.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 108.954 -0.758 . . . . 22.760000000000002 108.954 -176.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASN . . . . . 0.549 ' OD1' ' OG ' ' A' ' 13' ' ' SER . 91.1 m-20 -91.79 135.83 33.61 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.031 -0.729 . . . . 45.670000000000002 109.031 171.067 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.6 t -108.5 125.09 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 N-CA-C 109.03 -0.73 . . . . 20.789999999999999 109.03 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -127.88 141.78 51.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.22 -0.659 . . . . 45.960000000000001 109.22 170.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -113.54 148.72 35.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.851 -0.613 . . . . 51.299999999999997 110.104 -174.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 CA-C-N 115.506 -0.77 . . . . 70.099999999999994 112.12 -175.998 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GOL . . . . . 0.822 ' O2 ' ' O ' ' A' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' SO4 . . . . . 0.429 ' O1 ' ' N ' ' A' ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' SIN . . . . . 0.762 ' O1 ' ' O ' ' A' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.822 ' O ' ' O2 ' ' A' ' 105' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.665 ' O ' ' O3 ' ' A' ' 110' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.761 0.315 . . . . 79.41 111.234 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -120.6 124.77 46.09 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.139 -1.06 . . . . 75.21 108.139 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.74 155.59 19.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.764 0.792 . . . . 59.95 111.323 -170.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp -82.49 127.37 33.24 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.241 -0.89 . . . . 38.25 109.448 169.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.11 124.5 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.934 -1.136 . . . . 38.41 107.934 172.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.5 t -114.13 126.52 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 107.601 -1.259 . . . . 23.23 107.601 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -108.14 132.15 53.9 Favored 'General case' 0 C--O 1.203 -1.354 0 CA-C-O 114.93 -2.462 . . . . 45.57 111.605 168.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.48 133.3 67.63 Favored 'Isoleucine or valine' 1 C--N 1.203 -5.769 0 O-C-N 126.118 2.136 . . . . 19.11 107.498 -178.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . 0.549 ' OG ' ' OD1' ' A' ' 88' ' ' ASN . 37.2 t -118.24 121.14 39.72 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 110.152 -0.314 . . . . 25.31 110.152 177.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -140.35 137.0 33.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.393 -0.965 . . . . 33.49 108.393 171.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 17' ' ' VAL . . . 53.21 44.41 64.32 Favored Glycine 0 N--CA 1.464 0.518 0 C-N-CA 120.48 -0.867 . . . . 43.62 114.4 177.158 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.63 11.15 72.52 Favored Glycine 0 C--N 1.334 0.429 0 N-CA-C 115.167 0.827 . . . . 36.19 115.167 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 13' ' ' SER . 96.0 t -121.14 132.92 69.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 124.529 1.131 . . . . 36.21 107.979 -167.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -110.78 130.47 55.57 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 123.178 0.299 . . . . 26.72 110.99 177.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -127.54 145.18 50.94 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.102 -0.703 . . . . 23.2 109.102 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -116.04 131.96 56.79 Favored 'General case' 0 C--N 1.314 -0.946 1 C-N-CA 132.83 4.452 . . . . 54.78 110.355 -172.964 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -145.37 169.74 17.71 Favored 'General case' 1 C--N 1.244 -4.014 0 O-C-N 118.35 -2.719 . . . . 24.69 108.039 163.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -120.21 144.91 47.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.259 0.552 . . . . 41.75 110.047 -177.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.416 HG11 ' HG ' ' A' ' 33' ' ' LEU . 90.5 t -119.47 121.62 29.92 Favored Pre-proline 0 N--CA 1.45 -0.451 0 N-CA-C 107.641 -1.244 . . . . 33.58 107.641 -174.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.99 148.48 85.81 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 CA-C-O 121.91 0.713 . . . . 42.92 111.806 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -110.09 148.84 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 114.28 -1.327 . . . . 54.93 109.207 175.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 32' ' ' ASP . 21.0 mttt -83.56 176.7 8.84 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 107.801 -1.185 . . . . 70.39 107.801 176.297 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' N ' ' O1 ' ' A' ' 107' ' ' SO4 . . . -64.77 -21.36 66.75 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 116.777 -1.582 . . . . 76.46 107.969 -178.643 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . 0.601 2.4 m-80 -68.51 -26.11 65.29 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.937 1.695 . . . . 79.17 108.717 177.299 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.79 -8.25 65.65 Favored Glycine 0 C--N 1.31 -0.891 0 N-CA-C 107.543 -2.223 . . . . 59.86 107.543 -171.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -69.1 141.03 54.81 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 125.871 1.571 . . . . 68.61 109.915 177.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.813 ' HG ' HG22 ' A' ' 78' ' ' THR . 27.3 mt -65.59 143.47 57.59 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 116.748 -1.596 . . . . 50.88 109.763 177.815 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 35.7 t0 -88.72 52.46 2.43 Favored 'General case' 1 C--N 1.21 -5.465 0 CA-C-N 119.989 1.268 . . . . 54.82 109.64 169.206 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' HG ' HG11 ' A' ' 23' ' ' VAL . 18.4 tp -150.44 177.79 9.66 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.797 -1.092 . . . . 38.67 109.228 -177.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -139.23 169.71 17.27 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.701 0.8 . . . . 52.51 109.205 173.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.5 mmm -59.48 -36.37 75.88 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.432 -0.804 . . . . 31.13 111.442 -172.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.15 -44.04 96.64 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 119.422 -0.911 . . . . 28.17 111.39 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.39 -32.68 71.95 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 119.594 -1.288 . . . . 25.09 112.658 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.64 -46.1 83.97 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.178 0.513 . . . . 23.4 110.639 175.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -63.19 -37.12 86.0 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.919 -0.712 . . . . 28.76 110.961 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -67.82 -38.12 82.85 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.089 -0.644 . . . . 37.22 110.921 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -66.85 -45.15 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.678 -0.809 . . . . 31.29 110.341 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.5 mt -63.17 -40.05 87.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 120.142 -0.623 . . . . 18.66 110.939 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.26 97.27 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 121.747 -0.595 . . . . 18.68 111.557 177.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.27 -36.19 83.27 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 120.149 -0.62 . . . . 25.33 111.57 178.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.79 -33.55 72.52 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 112.439 0.533 . . . . 22.32 112.439 -176.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -122.54 8.3 9.55 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 112.527 0.566 . . . . 21.08 112.527 -169.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.6 t30 59.33 49.83 8.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 122.21 1.005 . . . . 30.5 111.164 -177.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mt -107.31 175.28 5.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.844 -1.071 . . . . 22.12 108.594 173.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.2 m -89.85 130.44 36.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.933 -0.576 . . . . 19.78 109.936 170.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.3 -23.8 67.58 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.205 -0.998 . . . . 24.37 112.344 176.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.72 ' HB3' ' O ' ' A' ' 201' ' ' HOH . 52.3 p-10 -99.83 11.61 38.81 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.306 0.854 . . . . 25.25 113.306 176.318 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 149.2 48.65 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.127 -1.029 . . . . 26.78 111.018 171.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.82 94.52 3.89 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.609 1.195 . . . . 41.85 109.582 176.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.1 mt -99.25 139.63 34.61 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 114.983 -1.008 . . . . 30.93 109.548 -174.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 t -86.79 117.01 25.25 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.168 -1.049 . . . . 34.42 108.168 168.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 mt -114.32 111.84 22.13 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.172 -1.418 . . . . 24.66 107.172 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.8 p -129.0 151.7 49.42 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.755 -0.378 . . . . 21.55 111.225 -174.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -134.94 157.81 45.92 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.797 -0.446 . . . . 25.47 109.797 165.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -96.89 122.62 40.06 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.124 -0.489 . . . . 25.36 109.784 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.6 169.44 15.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.809 0.814 . . . . 29.35 110.083 -176.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.58 -21.9 65.4 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.452 -0.794 . . . . 41.8 112.756 -177.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -87.49 13.11 10.72 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.915 0.78 . . . . 31.51 112.596 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.58 4.77 85.37 Favored Glycine 0 C--O 1.243 0.689 0 N-CA-C 115.753 1.061 . . . . 26.48 115.753 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.67 150.12 22.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.845 1.322 . . . . 22.92 108.574 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 43.9 t -89.66 138.51 19.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.834 -0.802 . . . . 19.51 108.834 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -106.6 126.31 62.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 C-N-CA 124.105 0.962 . . . . 20.42 108.7 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.0 127.12 41.73 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.704 0.288 . . . . 25.34 110.362 172.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.8 mt -83.08 98.26 9.21 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.105 -1.442 . . . . 25.6 107.105 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 m -113.33 -20.03 6.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 N-CA-C 113.092 0.775 . . . . 30.65 113.092 178.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -147.91 174.99 11.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.481 1.037 . . . . 32.98 110.242 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -63.57 -27.26 69.12 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.06 -0.973 . . . . 38.95 112.151 -176.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -64.23 -35.01 79.42 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 119.549 -0.86 . . . . 47.46 111.685 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -64.53 -36.72 85.12 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.795 -0.362 . . . . 30.0 111.61 175.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 mt -76.39 -39.9 52.41 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 119.553 -0.859 . . . . 48.77 111.001 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.62 -38.67 64.27 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.94 0.4 . . . . 64.24 110.938 172.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -76.3 -11.67 59.94 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 113.612 0.968 . . . . 48.17 113.612 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.58 -43.7 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 120.295 1.407 . . . . 41.35 107.954 170.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . 0.813 HG22 ' HG ' ' A' ' 31' ' ' LEU . 1.4 p -73.07 -44.29 60.79 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 124.38 1.05 . . . . 61.74 109.918 -179.601 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -54.69 -35.38 63.54 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 124.45 1.094 . . . . 54.68 108.103 -177.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -83.52 2.27 37.79 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 125.297 1.623 . . . . 61.4 113.295 -178.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 57.63 34.55 24.66 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 118.195 -0.907 . . . . 79.78 112.638 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.8 mt -68.53 143.89 54.79 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 118.118 -0.944 . . . . 59.78 108.633 169.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -113.28 -11.48 13.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 125.087 1.492 . . . . 69.9 110.01 176.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -137.62 128.24 26.8 Favored 'General case' 1 C--N 1.191 -6.313 1 C-N-CA 140.476 7.51 . . . . 52.82 108.479 -178.144 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -131.57 122.4 26.03 Favored 'General case' 0 C--N 1.39 2.358 2 O-C-N 134.423 7.327 . . . . 30.33 109.031 172.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.9 tttm -106.63 117.48 34.16 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 125.122 1.514 . . . . 45.03 108.218 172.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 85.9 mt -107.87 124.44 64.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 108.954 -0.758 . . . . 22.76 108.954 -176.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.549 ' OD1' ' OG ' ' A' ' 13' ' ' SER . 91.1 m-20 -91.79 135.83 33.61 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.031 -0.729 . . . . 45.67 109.031 171.067 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.6 t -108.5 125.09 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 N-CA-C 109.03 -0.73 . . . . 20.79 109.03 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -127.88 141.78 51.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.22 -0.659 . . . . 45.96 109.22 170.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -113.54 148.72 35.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.851 -0.613 . . . . 51.3 110.104 -174.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 CA-C-N 115.506 -0.77 . . . . 70.1 112.12 -175.998 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GOL . . . . . 0.822 ' O2 ' ' O ' ' A' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' SO4 . . . . . 0.429 ' O1 ' ' N ' ' A' ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' SIN . . . . . 0.762 ' O1 ' ' O ' ' A' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.822 ' O ' ' O2 ' ' A' ' 105' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.665 ' O ' ' O3 ' ' A' ' 110' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_