data_5bmi_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 5bmi _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.743 0.306 . . . . 58.75 110.505 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -89.76 125.54 35.33 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.466 0.543 . . . . 55.49 112.466 -175.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -115.4 149.8 37.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.716 -0.674 . . . . 51.81 109.257 174.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -115.44 144.26 44.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.443 0.535 . . . . 56.71 112.443 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.8 tp -121.95 128.47 51.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 47.76 110.037 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.4 mt -113.05 105.16 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.118 -0.327 . . . . 48.19 110.118 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.82 114.53 22.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.943 0.401 . . . . 54.25 111.654 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -108.83 62.78 0.6 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.377 -0.601 . . . . 53.09 109.377 173.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.44 170.22 42.31 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.868 -0.606 . . . . 51.74 113.213 -175.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' OE1' ' A' ' 56' ' ' GLU . 7.0 mmtm -73.38 -24.55 60.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 53.95 111.372 178.855 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 p -126.72 -28.97 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 53.31 111.731 -177.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.6 117.1 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.918 0.39 . . . . 53.02 111.812 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -121.47 141.54 50.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.549 . . . . 54.55 110.278 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.24 -171.04 30.21 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 117.049 1.58 . . . . 48.53 117.049 173.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -137.0 152.0 49.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.586 -0.307 . . . . 51.71 111.788 -178.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 t -150.41 168.16 24.97 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.193 -0.458 . . . . 51.04 111.223 179.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.7 p -138.88 143.9 38.94 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.03 0.752 . . . . 52.75 113.03 -179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.5 p -138.33 160.77 38.64 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.181 -0.463 . . . . 51.49 110.412 170.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.45 117.7 34.68 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 110.155 -0.313 . . . . 57.38 110.155 177.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.17 171.41 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 57.68 111.108 -179.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.7 t -67.1 -49.82 69.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.976 -0.556 . . . . 58.36 110.693 -178.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -146.53 -179.14 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 56.58 112.385 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.55 -27.01 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.87 -0.604 . . . . 52.77 111.718 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.4 -33.47 74.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.399 -0.364 . . . . 53.2 110.752 -179.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.5 m -84.69 -35.72 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 53.7 111.958 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.94 -32.7 73.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.446 -0.343 . . . . 51.56 111.362 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' LYS . 70.9 tt0 -63.88 -53.24 53.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 51.03 111.162 -179.799 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -56.29 -38.31 71.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.41 -0.359 . . . . 53.74 111.861 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.39 -47.5 91.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 51.57 110.041 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -69.8 -31.2 68.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 49.47 111.815 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' GLU . 29.2 mmtt -70.74 -37.78 73.49 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.018 -0.364 . . . . 50.89 110.018 178.152 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -68.36 -44.0 76.2 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.974 0.416 . . . . 55.8 110.723 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -47.69 66.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.348 -0.842 . . . . 65.29 111.918 176.884 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.89 -41.36 82.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 53.4 112.142 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -63.46 -43.74 96.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.799 0.296 . . . . 61.89 111.799 179.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.97 -25.97 67.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.473 -0.33 . . . . 60.73 111.727 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -104.52 19.6 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.002 0.741 . . . . 57.73 113.002 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.0 43.01 99.76 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 114.244 0.458 . . . . 53.3 114.244 174.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.0 t -104.7 122.5 57.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 54.09 110.808 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -124.43 105.73 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.791 -0.818 . . . . 63.73 108.791 173.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.51 -176.92 20.72 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.883 -0.675 . . . . 48.7 114.477 -174.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -99.64 128.45 45.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.214 -0.493 . . . . 58.22 110.051 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -100.72 145.65 28.2 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.905 0.705 . . . . 47.86 112.905 -171.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.9 t -139.19 147.1 41.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.814 -0.63 . . . . 55.43 110.056 173.886 -163.083 nan nan nan nan nan nan nan 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -132.43 130.69 40.91 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.478 0.548 . . . . 47.41 112.478 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -115.2 112.62 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.346 -0.983 . . . . 46.89 108.346 177.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -75.45 -17.22 60.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.148 0.425 . . . . 48.37 112.148 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.05 -20.62 48.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.918 0.389 . . . . 47.32 110.248 177.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.2 p -119.68 -7.07 10.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.501 . . . . 50.38 111.977 -177.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 55.16 35.99 26.02 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.102 -0.499 . . . . 48.41 112.265 -179.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.3 m -117.37 118.29 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.577 0.954 . . . . 46.51 113.577 -175.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -86.49 132.3 33.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.119 -0.697 . . . . 46.24 109.119 172.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.0 p -120.24 132.22 55.26 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.675 -0.41 . . . . 48.64 110.622 177.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 p -123.63 126.41 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 47.79 110.516 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.2 m -129.95 131.02 45.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 48.14 111.74 -176.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 10' ' ' LYS . 82.4 mt-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 57.57 111.3 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.743 0.306 . . . . 58.75 110.505 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -89.76 125.54 35.33 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.466 0.543 . . . . 55.490000000000002 112.466 -175.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -115.4 149.8 37.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.716 -0.674 . . . . 51.810000000000002 109.257 174.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -115.44 144.26 44.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.443 0.535 . . . . 56.710000000000001 112.443 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.8 tp -121.95 128.47 51.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 47.759999999999998 110.037 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.4 mt -113.05 105.16 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.118 -0.327 . . . . 48.189999999999998 110.118 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . 0.418 ' HA ' HG13 ' A' ' 54' ' ' VAL . 6.1 mp -84.82 114.53 22.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.943 0.401 . . . . 54.25 111.654 -179.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -108.83 62.78 0.6 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.377 -0.601 . . . . 53.090000000000003 109.377 173.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.44 170.22 42.31 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.868 -0.606 . . . . 51.740000000000002 113.213 -175.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -73.38 -24.55 60.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 53.950000000000003 111.372 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 p -126.72 -28.97 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 53.310000000000002 111.731 -177.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.6 117.1 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.918 0.39 . . . . 53.020000000000003 111.812 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -121.47 141.54 50.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.549 . . . . 54.549999999999997 110.278 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.24 -171.04 30.21 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 117.049 1.58 . . . . 48.530000000000001 117.049 173.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -137.0 152.0 49.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.586 -0.307 . . . . 51.710000000000001 111.788 -178.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 t -150.41 168.16 24.97 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.193 -0.458 . . . . 51.039999999999999 111.223 179.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.7 p -138.88 143.9 38.94 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.03 0.752 . . . . 52.75 113.03 -179.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.5 p -138.33 160.77 38.64 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.181 -0.463 . . . . 51.490000000000002 110.412 170.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.45 117.7 34.68 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 110.155 -0.313 . . . . 57.380000000000003 110.155 177.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.17 171.41 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 57.68 111.108 -179.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.7 t -67.1 -49.82 69.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.976 -0.556 . . . . 58.359999999999999 110.693 -178.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -146.53 -179.14 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 56.579999999999998 112.385 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.55 -27.01 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.87 -0.604 . . . . 52.770000000000003 111.718 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.4 -33.47 74.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.399 -0.364 . . . . 53.200000000000003 110.752 -179.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.5 m -84.69 -35.72 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 53.700000000000003 111.958 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.94 -32.7 73.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.446 -0.343 . . . . 51.560000000000002 111.362 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -63.88 -53.24 53.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 51.030000000000001 111.162 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -56.29 -38.31 71.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.41 -0.359 . . . . 53.740000000000002 111.861 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.39 -47.5 91.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 51.57 110.041 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -69.8 -31.2 68.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 49.469999999999999 111.815 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -70.74 -37.78 73.49 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.018 -0.364 . . . . 50.890000000000001 110.018 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -68.36 -44.0 76.2 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.974 0.416 . . . . 55.799999999999997 110.723 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -47.69 66.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.348 -0.842 . . . . 65.290000000000006 111.918 176.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -67.89 -41.36 82.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 53.399999999999999 112.142 -177.352 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -63.46 -43.74 96.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.799 0.296 . . . . 61.890000000000001 111.799 179.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.97 -25.97 67.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.473 -0.33 . . . . 60.729999999999997 111.727 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -104.52 19.6 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.002 0.741 . . . . 57.729999999999997 113.002 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.0 43.01 99.76 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 114.244 0.458 . . . . 53.299999999999997 114.244 174.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . 0.452 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 85.0 t -104.7 122.5 57.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 54.090000000000003 110.808 179.202 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -124.43 105.73 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.791 -0.818 . . . . 63.729999999999997 108.791 173.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.51 -176.92 20.72 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.883 -0.675 . . . . 48.700000000000003 114.477 -174.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -99.64 128.45 45.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.214 -0.493 . . . . 58.219999999999999 110.051 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -100.72 145.65 28.2 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.905 0.705 . . . . 47.859999999999999 112.905 -171.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.9 t -139.19 147.1 41.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.814 -0.63 . . . . 55.43 110.056 173.886 -163.083 nan nan nan nan nan nan nan 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -132.43 130.69 40.91 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.478 0.548 . . . . 47.409999999999997 112.478 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -115.2 112.62 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.346 -0.983 . . . . 46.890000000000001 108.346 177.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -75.45 -17.22 60.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.148 0.425 . . . . 48.369999999999997 112.148 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.05 -20.62 48.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.918 0.389 . . . . 47.32 110.248 177.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.2 p -119.68 -7.07 10.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.501 . . . . 50.380000000000003 111.977 -177.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 55.16 35.99 26.02 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.102 -0.499 . . . . 48.409999999999997 112.265 -179.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.3 m -117.37 118.29 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.577 0.954 . . . . 46.509999999999998 113.577 -175.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -86.49 132.3 33.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.119 -0.697 . . . . 46.240000000000002 109.119 172.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.0 p -120.24 132.22 55.26 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.675 -0.41 . . . . 48.640000000000001 110.622 177.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG13 ' HA ' ' A' ' 7' ' ' LEU . 2.1 p -123.63 126.41 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 47.789999999999999 110.516 176.613 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.2 m -129.95 131.02 45.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 48.140000000000001 111.74 -176.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 57.57 111.3 -179.948 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.743 0.306 . . . . 58.75 110.505 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -89.76 125.54 35.33 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.466 0.543 . . . . 55.490000000000002 112.466 -175.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -115.4 149.8 37.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.716 -0.674 . . . . 51.810000000000002 109.257 174.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -115.44 144.26 44.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.443 0.535 . . . . 56.710000000000001 112.443 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.8 tp -121.95 128.47 51.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 47.759999999999998 110.037 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.4 mt -113.05 105.16 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.118 -0.327 . . . . 48.189999999999998 110.118 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.418 ' HA ' HG13 ' A' ' 54' ' ' VAL . 6.1 mp -84.82 114.53 22.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.943 0.401 . . . . 54.25 111.654 -179.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -108.83 62.78 0.6 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.377 -0.601 . . . . 53.090000000000003 109.377 173.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.44 170.22 42.31 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.868 -0.606 . . . . 51.740000000000002 113.213 -175.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -73.38 -24.55 60.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 53.950000000000003 111.372 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 p -126.72 -28.97 2.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 53.310000000000002 111.731 -177.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.6 117.1 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.918 0.39 . . . . 53.020000000000003 111.812 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -121.47 141.54 50.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.549 . . . . 54.549999999999997 110.278 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.24 -171.04 30.21 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 117.049 1.58 . . . . 48.530000000000001 117.049 173.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -137.0 152.0 49.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.586 -0.307 . . . . 51.710000000000001 111.788 -178.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 t -150.41 168.16 24.97 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.193 -0.458 . . . . 51.039999999999999 111.223 179.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.7 p -138.88 143.9 38.94 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.03 0.752 . . . . 52.75 113.03 -179.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.5 p -138.33 160.77 38.64 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.181 -0.463 . . . . 51.490000000000002 110.412 170.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.45 117.7 34.68 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 110.155 -0.313 . . . . 57.380000000000003 110.155 177.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.17 171.41 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 57.68 111.108 -179.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.7 t -67.1 -49.82 69.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.976 -0.556 . . . . 58.359999999999999 110.693 -178.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -146.53 -179.14 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 56.579999999999998 112.385 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.55 -27.01 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.87 -0.604 . . . . 52.770000000000003 111.718 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.4 -33.47 74.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.399 -0.364 . . . . 53.200000000000003 110.752 -179.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.5 m -84.69 -35.72 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 53.700000000000003 111.958 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.94 -32.7 73.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.446 -0.343 . . . . 51.560000000000002 111.362 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -63.88 -53.24 53.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 51.030000000000001 111.162 -179.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -56.29 -38.31 71.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.41 -0.359 . . . . 53.740000000000002 111.861 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.39 -47.5 91.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 51.57 110.041 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -69.8 -31.2 68.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 49.469999999999999 111.815 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -70.74 -37.78 73.49 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.018 -0.364 . . . . 50.890000000000001 110.018 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -68.36 -44.0 76.2 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.974 0.416 . . . . 55.799999999999997 110.723 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -47.69 66.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.348 -0.842 . . . . 65.290000000000006 111.918 176.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -67.89 -41.36 82.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 53.399999999999999 112.142 -177.352 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -63.46 -43.74 96.47 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.799 0.296 . . . . 61.890000000000001 111.799 179.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.97 -25.97 67.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.473 -0.33 . . . . 60.729999999999997 111.727 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -104.52 19.6 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.002 0.741 . . . . 57.729999999999997 113.002 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.0 43.01 99.76 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 114.244 0.458 . . . . 53.299999999999997 114.244 174.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.452 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 85.0 t -104.7 122.5 57.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 54.090000000000003 110.808 179.202 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -124.43 105.73 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.791 -0.818 . . . . 63.729999999999997 108.791 173.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.51 -176.92 20.72 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.883 -0.675 . . . . 48.700000000000003 114.477 -174.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -99.64 128.45 45.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.214 -0.493 . . . . 58.219999999999999 110.051 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -100.72 145.65 28.2 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.905 0.705 . . . . 47.859999999999999 112.905 -171.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.9 t -139.19 147.1 41.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.814 -0.63 . . . . 55.43 110.056 173.886 -163.083 nan nan nan nan nan nan nan 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -132.43 130.69 40.91 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.478 0.548 . . . . 47.409999999999997 112.478 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -115.2 112.62 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.346 -0.983 . . . . 46.890000000000001 108.346 177.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -75.45 -17.22 60.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.148 0.425 . . . . 48.369999999999997 112.148 -174.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.05 -20.62 48.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.918 0.389 . . . . 47.32 110.248 177.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.2 p -119.68 -7.07 10.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.501 . . . . 50.380000000000003 111.977 -177.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 55.16 35.99 26.02 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.102 -0.499 . . . . 48.409999999999997 112.265 -179.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.3 m -117.37 118.29 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.577 0.954 . . . . 46.509999999999998 113.577 -175.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -86.49 132.3 33.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.119 -0.697 . . . . 46.240000000000002 109.119 172.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.0 p -120.24 132.22 55.26 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.675 -0.41 . . . . 48.640000000000001 110.622 177.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG13 ' HA ' ' A' ' 7' ' ' LEU . 2.1 p -123.63 126.41 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 47.789999999999999 110.516 176.613 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.2 m -129.95 131.02 45.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 48.140000000000001 111.74 -176.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 57.57 111.3 -179.948 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' MTN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_