data_4mjb_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 4mjb _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 ' -10' ' ' MET . . . . . 0.452 ' O ' ' NE2' ' A' ' -6' ' ' HIS . 4.6 ptm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.991 0.424 . . . . 76.620000000000005 111.685 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.75 139.56 58.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.794 -0.639 . . . . 40.789999999999999 109.965 177.668 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 144.53 169.63 13.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.192 -0.528 . . . . 28.5 113.551 176.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -7' ' ' SER . . . . . . . . . . . . . 23.3 t -90.58 100.15 13.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.749 -0.834 . . . . 20.309999999999999 108.749 176.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -6' ' ' HIS . . . . . 0.452 ' NE2' ' O ' ' A' ' -10' ' ' MET . 59.6 m-70 -97.75 143.51 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.074 0.768 . . . . 29.530000000000001 113.074 -173.163 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -96.97 128.17 43.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.688 -0.687 . . . . 29.84 110.279 176.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -113.75 118.74 35.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.331 -0.395 . . . . 27.84 111.448 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' HIS . . . . . 0.688 ' NE2' ' O ' ' A' ' 223' ' ' HOH . 6.3 t-80 -157.71 48.38 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.311 0.856 . . . . 53.75 113.311 165.192 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 5.4 m80 60.66 20.67 10.63 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.859 1.059 . . . . 60.369999999999997 113.859 167.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -55.65 -32.88 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.365 . . . . 67.700000000000003 111.681 174.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 64.96 -119.12 13.75 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.894 -2.083 . . . . 82.299999999999997 107.894 -168.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.82 138.15 40.96 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.329 -0.548 . . . . 78.030000000000001 110.289 172.802 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.24 114.0 26.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 68.989999999999995 112.683 -170.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.58 167.2 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.558 . . . . 57.520000000000003 111.015 167.0 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 p -133.28 -179.26 5.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.837 -1.172 . . . . 44.259999999999998 107.837 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.77 130.74 44.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 29.969999999999999 111.441 178.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' NZ ' ' OD1' ' A' ' 64' ' ' ASP . 74.4 tttt -91.88 107.64 19.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.445 -0.946 . . . . 20.66 108.445 176.674 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.8 mt -115.44 124.54 72.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.285 -0.416 . . . . 13.85 110.654 -175.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -127.11 142.21 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 12.300000000000001 110.494 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 tt -138.46 121.51 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.536 -0.465 . . . . 11.630000000000001 110.262 173.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -86.96 129.9 34.69 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.613 -1.254 . . . . 8.1899999999999995 107.613 176.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -139.29 163.34 32.74 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 114.49 1.293 . . . . 11.869999999999999 114.49 -174.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -107.37 134.18 50.8 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 105.046 -2.205 . . . . 12.65 105.046 151.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 p -59.67 -30.14 68.55 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.073 0.768 . . . . 14.81 113.073 -171.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.2 p -105.81 9.13 33.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.78 0.659 . . . . 15.779999999999999 112.78 -174.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 t -77.32 122.27 85.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 N-CA-C 109.067 -0.716 . . . . 13.81 109.067 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -65.22 -26.78 56.64 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 120.719 0.946 . . . . 13.57 112.608 -173.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -78.41 -38.28 41.89 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.571 0.544 . . . . 20.079999999999998 109.76 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.6 m -64.0 -43.61 95.14 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.643 -0.502 . . . . 13.69 109.643 174.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.8 mtp -62.09 -38.38 88.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.68 -0.691 . . . . 15.210000000000001 111.295 178.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -67.26 -40.79 86.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 29.469999999999999 110.797 179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.35 -40.98 85.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.411 -0.359 . . . . 12.67 110.895 178.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.83 -41.03 81.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.172 -0.467 . . . . 17.68 111.558 176.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.53 99.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 14.300000000000001 111.223 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.91 -47.55 85.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 15.52 111.131 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.1 -37.97 89.32 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.056 -0.52 . . . . 13.380000000000001 111.933 -179.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -67.74 -39.94 84.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.576 -0.284 . . . . 26.789999999999999 111.374 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ARG . . . . . 0.562 ' NH1' ' O ' ' A' ' 241' ' ' HOH . 84.1 mtm-85 -62.5 -35.06 78.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.267 -0.424 . . . . 31.010000000000002 111.392 179.21 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -67.47 -27.38 66.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.366 -0.379 . . . . 17.739999999999998 111.189 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.82 11.79 76.08 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 116.331 -0.395 . . . . 15.369999999999999 112.454 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.7 m -77.09 153.59 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.21 0.528 . . . . 19.09 112.202 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -87.49 130.36 34.73 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.511 -0.922 . . . . 37.020000000000003 108.511 174.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -153.33 167.23 30.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.782 1.03 . . . . 17.690000000000001 113.782 -178.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -111.77 124.09 51.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 18.57 110.722 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -100.69 125.97 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 17.379999999999999 110.001 175.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -99.88 83.69 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.284 -1.006 . . . . 11.85 108.284 171.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -71.78 113.97 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.713 -0.847 . . . . 18.920000000000002 108.713 175.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.9 pt -116.59 35.31 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 113.819 1.044 . . . . 14.24 113.819 -172.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -44.68 118.94 1.74 Allowed 'General case' 0 C--O 1.234 0.259 0 N-CA-C 113.062 0.764 . . . . 18.059999999999999 113.062 176.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.86 4.29 10.36 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.599 1.0 . . . . 23.690000000000001 115.599 177.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -91.32 96.59 10.62 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.137 0.468 . . . . 22.300000000000001 110.896 -178.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.08 -38.47 85.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.68 0.993 . . . . 23.59 113.68 -176.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -62.54 -47.63 83.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.135 0.493 . . . . 33.439999999999998 111.564 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.35 -32.15 73.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.851 -0.613 . . . . 16.600000000000001 111.029 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -64.6 -39.71 94.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 22.640000000000001 110.838 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -68.44 -31.22 70.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.36 . . . . 23.539999999999999 110.062 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.53 -38.4 71.07 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.848 -0.614 . . . . 14.74 109.362 177.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 48.6 ttp -62.89 -50.3 71.42 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.678 -0.692 . . . . 16.100000000000001 110.255 176.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.72 -30.94 69.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.85 -0.614 . . . . 16.18 112.213 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.44 75.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.507 -0.315 . . . . 17.539999999999999 111.299 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -92.27 -18.45 23.38 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 113.251 0.834 . . . . 20.329999999999998 113.251 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.54 51.79 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.579 0.955 . . . . 24.309999999999999 113.579 -173.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 52.4 32.61 11.5 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.341 1.238 . . . . 36.880000000000003 114.341 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.74 -5.46 61.42 Favored Glycine 0 C--N 1.331 0.267 0 CA-C-N 116.634 -0.257 . . . . 20.91 113.541 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -71.18 135.05 47.37 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.694 0.257 . . . . 32.350000000000001 111.694 -177.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -112.68 6.71 18.37 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.718 0.636 . . . . 34.289999999999999 112.718 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.3 p -72.73 155.4 40.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 19.199999999999999 110.462 179.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.0 mt -116.6 142.39 29.54 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.359 -0.382 . . . . 16.93 111.094 -177.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -84.91 170.75 46.42 Favored 'Cis proline' 0 C--N 1.344 0.296 0 O-C-N 122.207 0.583 . . . . 15.07 112.587 -2.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -122.65 126.91 48.6 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.339 -0.615 . . . . 16.07 109.339 169.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.9 mt -118.3 139.94 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.567 . . . . 14.15 111.935 -170.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -133.97 142.39 47.65 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.144 -0.48 . . . . 15.609999999999999 110.502 -178.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.5 mt -135.15 119.05 25.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.36 -0.607 . . . . 19.079999999999998 109.36 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 52.92 42.68 32.13 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 123.457 0.473 . . . . 31.469999999999999 110.637 -174.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' OD1' ' NZ ' ' A' ' 6' ' ' LYS . 74.9 m-20 67.38 9.07 6.73 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.853 1.427 . . . . 22.879999999999999 114.853 176.152 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.91 136.21 38.54 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.714 -0.476 . . . . 41.43 109.714 172.135 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -77.07 119.25 20.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 17.07 111.865 -177.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -90.73 -42.46 13.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.058 -0.519 . . . . 19.030000000000001 110.958 179.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.23 -148.76 18.5 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 116.061 -0.518 . . . . 12.59 112.796 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -95.12 -162.28 34.4 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 115.274 0.87 . . . . 12.66 115.274 -175.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' CYS . . . . . 0.532 ' N ' ' O1 ' ' A' ' 102' ' ' SO4 . 53.1 t -61.9 -48.39 80.69 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.444 0.535 . . . . 18.829999999999998 112.444 -177.578 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -58.77 -39.38 80.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.045 0.45 . . . . 28.210000000000001 111.328 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -62.9 -48.32 79.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.338 -0.846 . . . . 21.809999999999999 113.178 -177.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.9 tt -70.02 -34.08 58.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.884 -0.326 . . . . 20.960000000000001 111.547 -178.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -73.3 -29.91 63.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 18.079999999999998 111.241 178.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.36 74.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.399 . . . . 17.73 109.927 175.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.64 -41.66 97.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 19.940000000000001 110.592 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -68.25 -36.78 79.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 20.359999999999999 111.913 -178.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.17 -22.86 76.27 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 116.273 -0.421 . . . . 18.25 113.125 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -103.12 7.4 38.79 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.387 0.514 . . . . 20.129999999999999 112.387 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.64 24.0 71.3 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 114.341 0.496 . . . . 24.449999999999999 114.341 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -101.54 -8.89 21.49 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 114.101 1.148 . . . . 27.100000000000001 114.101 -176.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 tp -82.24 -46.97 13.0 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.362 0.875 . . . . 20.879999999999999 113.362 -173.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -52.58 -45.78 95.9 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 115.178 1.547 . . . . 21.219999999999999 115.178 -178.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -71.39 -7.29 20.97 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 117.064 -1.491 . . . . 23.84 114.172 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 mt -86.08 -26.71 25.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.454 -0.573 . . . . 19.899999999999999 109.454 173.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.8 mt -76.19 -21.94 55.89 Favored 'General case' 0 CA--C 1.564 1.51 1 N-CA-C 123.783 4.734 . . . . 37.68 123.783 -169.286 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -125.25 65.35 1.14 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 121.979 2.172 . . . . 47.509999999999998 115.99 3.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 126.287 1.835 . . . . 42.18 109.891 165.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SO4 . . . . . 0.709 ' O3 ' ' O ' ' A' ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.709 ' O ' ' O3 ' ' A' ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.688 ' O ' ' NE2' ' A' ' -3' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . 0.562 ' O ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -10' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.991 0.424 . . . . 76.620000000000005 111.685 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.75 139.56 58.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.794 -0.639 . . . . 40.789999999999999 109.965 177.668 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 144.53 169.63 13.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.192 -0.528 . . . . 28.5 113.551 176.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -7' ' ' SER . . . . . . . . . . . . . 23.3 t -90.58 100.15 13.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.749 -0.834 . . . . 20.309999999999999 108.749 176.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -97.75 143.51 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.074 0.768 . . . . 29.530000000000001 113.074 -173.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -96.97 128.17 43.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.688 -0.687 . . . . 29.84 110.279 176.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -113.75 118.74 35.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.331 -0.395 . . . . 27.84 111.448 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -3' ' ' HIS . . . . . 0.688 ' NE2' ' O ' ' A' ' 223' ' ' HOH . 6.3 t-80 -157.71 48.38 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.311 0.856 . . . . 53.75 113.311 165.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 5.4 m80 60.66 20.67 10.63 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.859 1.059 . . . . 60.369999999999997 113.859 167.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -55.65 -32.88 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.365 . . . . 67.700000000000003 111.681 174.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 64.96 -119.12 13.75 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.894 -2.083 . . . . 82.299999999999997 107.894 -168.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.82 138.15 40.96 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.329 -0.548 . . . . 78.030000000000001 110.289 172.802 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.24 114.0 26.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 68.989999999999995 112.683 -170.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.58 167.2 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.558 . . . . 57.520000000000003 111.015 167.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 p -133.28 -179.26 5.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.837 -1.172 . . . . 44.259999999999998 107.837 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.77 130.74 44.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 29.969999999999999 111.441 178.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -91.88 107.64 19.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.445 -0.946 . . . . 20.66 108.445 176.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.8 mt -115.44 124.54 72.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.285 -0.416 . . . . 13.85 110.654 -175.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -127.11 142.21 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 12.300000000000001 110.494 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 tt -138.46 121.51 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.536 -0.465 . . . . 11.630000000000001 110.262 173.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -86.96 129.9 34.69 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.613 -1.254 . . . . 8.1899999999999995 107.613 176.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -139.29 163.34 32.74 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 114.49 1.293 . . . . 11.869999999999999 114.49 -174.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -107.37 134.18 50.8 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 105.046 -2.205 . . . . 12.65 105.046 151.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 p -59.67 -30.14 68.55 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.073 0.768 . . . . 14.81 113.073 -171.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.2 p -105.81 9.13 33.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.78 0.659 . . . . 15.779999999999999 112.78 -174.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 t -77.32 122.27 85.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 N-CA-C 109.067 -0.716 . . . . 13.81 109.067 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -65.22 -26.78 56.64 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 120.719 0.946 . . . . 13.57 112.608 -173.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -78.41 -38.28 41.89 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.571 0.544 . . . . 20.079999999999998 109.76 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.6 m -64.0 -43.61 95.14 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.643 -0.502 . . . . 13.69 109.643 174.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.8 mtp -62.09 -38.38 88.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.68 -0.691 . . . . 15.210000000000001 111.295 178.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -67.26 -40.79 86.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 29.469999999999999 110.797 179.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.35 -40.98 85.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.411 -0.359 . . . . 12.67 110.895 178.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.83 -41.03 81.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.172 -0.467 . . . . 17.68 111.558 176.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.53 99.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 14.300000000000001 111.223 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.6 tp -60.91 -47.55 85.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 15.52 111.131 179.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.1 -37.97 89.32 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.056 -0.52 . . . . 13.380000000000001 111.933 -179.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -67.74 -39.94 84.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.576 -0.284 . . . . 26.789999999999999 111.374 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -62.5 -35.06 78.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.267 -0.424 . . . . 31.010000000000002 111.392 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 64.7 mmtt -67.47 -27.38 66.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.366 -0.379 . . . . 17.739999999999998 111.189 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.82 11.79 76.08 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 116.331 -0.395 . . . . 15.369999999999999 112.454 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.7 m -77.09 153.59 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.21 0.528 . . . . 19.09 112.202 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -87.49 130.36 34.73 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.511 -0.922 . . . . 37.020000000000003 108.511 174.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -153.33 167.23 30.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.782 1.03 . . . . 17.690000000000001 113.782 -178.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -111.77 124.09 51.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 18.57 110.722 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -100.69 125.97 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 17.379999999999999 110.001 175.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -99.88 83.69 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.284 -1.006 . . . . 11.85 108.284 171.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -71.78 113.97 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.713 -0.847 . . . . 18.920000000000002 108.713 175.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.9 pt -116.59 35.31 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 113.819 1.044 . . . . 14.24 113.819 -172.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -44.68 118.94 1.74 Allowed 'General case' 0 C--O 1.234 0.259 0 N-CA-C 113.062 0.764 . . . . 18.059999999999999 113.062 176.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.86 4.29 10.36 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.599 1.0 . . . . 23.690000000000001 115.599 177.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -91.32 96.59 10.62 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.137 0.468 . . . . 22.300000000000001 110.896 -178.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.08 -38.47 85.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.68 0.993 . . . . 23.59 113.68 -176.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -62.54 -47.63 83.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.135 0.493 . . . . 33.439999999999998 111.564 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.35 -32.15 73.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.851 -0.613 . . . . 16.600000000000001 111.029 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -64.6 -39.71 94.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 22.640000000000001 110.838 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -68.44 -31.22 70.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.36 . . . . 23.539999999999999 110.062 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.53 -38.4 71.07 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.848 -0.614 . . . . 14.74 109.362 177.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 48.6 ttp -62.89 -50.3 71.42 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.678 -0.692 . . . . 16.100000000000001 110.255 176.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.72 -30.94 69.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.85 -0.614 . . . . 16.18 112.213 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.44 75.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.507 -0.315 . . . . 17.539999999999999 111.299 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -92.27 -18.45 23.38 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 113.251 0.834 . . . . 20.329999999999998 113.251 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.54 51.79 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.579 0.955 . . . . 24.309999999999999 113.579 -173.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 52.4 32.61 11.5 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.341 1.238 . . . . 36.880000000000003 114.341 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.74 -5.46 61.42 Favored Glycine 0 C--N 1.331 0.267 0 CA-C-N 116.634 -0.257 . . . . 20.91 113.541 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -71.18 135.05 47.37 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.694 0.257 . . . . 32.350000000000001 111.694 -177.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -112.68 6.71 18.37 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.718 0.636 . . . . 34.289999999999999 112.718 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.3 p -72.73 155.4 40.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 19.199999999999999 110.462 179.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.0 mt -116.6 142.39 29.54 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.359 -0.382 . . . . 16.93 111.094 -177.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -84.91 170.75 46.42 Favored 'Cis proline' 0 C--N 1.344 0.296 0 O-C-N 122.207 0.583 . . . . 15.07 112.587 -2.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -122.65 126.91 48.6 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.339 -0.615 . . . . 16.07 109.339 169.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.9 mt -118.3 139.94 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.567 . . . . 14.15 111.935 -170.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -133.97 142.39 47.65 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.144 -0.48 . . . . 15.609999999999999 110.502 -178.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.5 mt -135.15 119.05 25.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.36 -0.607 . . . . 19.079999999999998 109.36 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 52.92 42.68 32.13 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 123.457 0.473 . . . . 31.469999999999999 110.637 -174.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 67.38 9.07 6.73 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.853 1.427 . . . . 22.879999999999999 114.853 176.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.91 136.21 38.54 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.714 -0.476 . . . . 41.43 109.714 172.135 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -77.07 119.25 20.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 17.07 111.865 -177.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -90.73 -42.46 13.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.058 -0.519 . . . . 19.030000000000001 110.958 179.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.23 -148.76 18.5 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 116.061 -0.518 . . . . 12.59 112.796 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -95.12 -162.28 34.4 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 115.274 0.87 . . . . 12.66 115.274 -175.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.9 -48.39 80.69 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.444 0.535 . . . . 18.829999999999998 112.444 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -58.77 -39.38 80.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.045 0.45 . . . . 28.210000000000001 111.328 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -62.9 -48.32 79.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.338 -0.846 . . . . 21.809999999999999 113.178 -177.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.9 tt -70.02 -34.08 58.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.884 -0.326 . . . . 20.960000000000001 111.547 -178.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -73.3 -29.91 63.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 18.079999999999998 111.241 178.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.36 74.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.399 . . . . 17.73 109.927 175.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.64 -41.66 97.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 19.940000000000001 110.592 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -68.25 -36.78 79.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 20.359999999999999 111.913 -178.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.17 -22.86 76.27 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 116.273 -0.421 . . . . 18.25 113.125 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -103.12 7.4 38.79 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.387 0.514 . . . . 20.129999999999999 112.387 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.64 24.0 71.3 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 114.341 0.496 . . . . 24.449999999999999 114.341 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -101.54 -8.89 21.49 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 114.101 1.148 . . . . 27.100000000000001 114.101 -176.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 tp -82.24 -46.97 13.0 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.362 0.875 . . . . 20.879999999999999 113.362 -173.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -52.58 -45.78 95.9 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 115.178 1.547 . . . . 21.219999999999999 115.178 -178.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -71.39 -7.29 20.97 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 117.064 -1.491 . . . . 23.84 114.172 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 mt -86.08 -26.71 25.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.454 -0.573 . . . . 19.899999999999999 109.454 173.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . 0.691 ' N ' ' HA ' ' A' ' 87' ' ' HIS . 64.8 mt -76.19 -21.94 55.89 Favored 'General case' 0 CA--C 1.564 1.51 1 N-CA-C 123.783 4.734 . . . . 37.68 123.783 -169.286 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HIS . . . . . 0.691 ' HA ' ' N ' ' A' ' 86' ' ' LEU . 1.6 p80 -125.25 65.35 1.14 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 121.979 2.172 . . . . 47.509999999999998 115.99 3.306 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 126.287 1.835 . . . . 42.18 109.891 165.936 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SO4 . . . . . 0.709 ' O3 ' ' O ' ' A' ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.709 ' O ' ' O3 ' ' A' ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.688 ' O ' ' NE2' ' A' ' -3' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -10' ' ' MET . . . . . . . . . . . . . 4.6 ptm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.991 0.424 . . . . 76.62 111.685 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.75 139.56 58.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.794 -0.639 . . . . 40.79 109.965 177.668 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 144.53 169.63 13.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.192 -0.528 . . . . 28.5 113.551 176.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -7' ' ' SER . . . . . . . . . . . . . 23.3 t -90.58 100.15 13.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.749 -0.834 . . . . 20.31 108.749 176.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -97.75 143.51 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.074 0.768 . . . . 29.53 113.074 -173.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -96.97 128.17 43.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.688 -0.687 . . . . 29.84 110.279 176.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -113.75 118.74 35.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.331 -0.395 . . . . 27.84 111.448 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' HIS . . . . . 0.688 ' NE2' ' O ' ' A' ' 223' ' ' HOH . 6.3 t-80 -157.71 48.38 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.311 0.856 . . . . 53.75 113.311 165.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 5.4 m80 60.66 20.67 10.63 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.859 1.059 . . . . 60.37 113.859 167.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -55.65 -32.88 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.365 . . . . 67.7 111.681 174.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 64.96 -119.12 13.75 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.894 -2.083 . . . . 82.3 107.894 -168.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.82 138.15 40.96 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.329 -0.548 . . . . 78.03 110.289 172.802 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.24 114.0 26.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 68.99 112.683 -170.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.58 167.2 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.558 . . . . 57.52 111.015 167.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 p -133.28 -179.26 5.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.837 -1.172 . . . . 44.26 107.837 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.77 130.74 44.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 29.97 111.441 178.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -91.88 107.64 19.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.445 -0.946 . . . . 20.66 108.445 176.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.8 mt -115.44 124.54 72.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.285 -0.416 . . . . 13.85 110.654 -175.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -127.11 142.21 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 12.3 110.494 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 tt -138.46 121.51 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.536 -0.465 . . . . 11.63 110.262 173.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -86.96 129.9 34.69 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.613 -1.254 . . . . 8.19 107.613 176.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -139.29 163.34 32.74 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 114.49 1.293 . . . . 11.87 114.49 -174.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -107.37 134.18 50.8 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 105.046 -2.205 . . . . 12.65 105.046 151.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 p -59.67 -30.14 68.55 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.073 0.768 . . . . 14.81 113.073 -171.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.2 p -105.81 9.13 33.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.78 0.659 . . . . 15.78 112.78 -174.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 t -77.32 122.27 85.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 N-CA-C 109.067 -0.716 . . . . 13.81 109.067 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -65.22 -26.78 56.64 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 120.719 0.946 . . . . 13.57 112.608 -173.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -78.41 -38.28 41.89 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.571 0.544 . . . . 20.08 109.76 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.6 m -64.0 -43.61 95.14 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.643 -0.502 . . . . 13.69 109.643 174.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 70.8 mtp -62.09 -38.38 88.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.68 -0.691 . . . . 15.21 111.295 178.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -67.26 -40.79 86.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 29.47 110.797 179.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.35 -40.98 85.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.411 -0.359 . . . . 12.67 110.895 178.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.83 -41.03 81.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.172 -0.467 . . . . 17.68 111.558 176.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.53 99.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 14.3 111.223 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.6 tp -60.91 -47.55 85.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 15.52 111.131 179.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.1 -37.97 89.32 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.056 -0.52 . . . . 13.38 111.933 -179.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -67.74 -39.94 84.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.576 -0.284 . . . . 26.79 111.374 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -62.5 -35.06 78.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.267 -0.424 . . . . 31.01 111.392 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 64.7 mmtt -67.47 -27.38 66.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.366 -0.379 . . . . 17.74 111.189 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.82 11.79 76.08 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 116.331 -0.395 . . . . 15.37 112.454 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.7 m -77.09 153.59 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.21 0.528 . . . . 19.09 112.202 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -87.49 130.36 34.73 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.511 -0.922 . . . . 37.02 108.511 174.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -153.33 167.23 30.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.782 1.03 . . . . 17.69 113.782 -178.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -111.77 124.09 51.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 18.57 110.722 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -100.69 125.97 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 17.38 110.001 175.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -99.88 83.69 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.284 -1.006 . . . . 11.85 108.284 171.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -71.78 113.97 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.713 -0.847 . . . . 18.92 108.713 175.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.9 pt -116.59 35.31 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 113.819 1.044 . . . . 14.24 113.819 -172.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -44.68 118.94 1.74 Allowed 'General case' 0 C--O 1.234 0.259 0 N-CA-C 113.062 0.764 . . . . 18.06 113.062 176.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.86 4.29 10.36 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.599 1.0 . . . . 23.69 115.599 177.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -91.32 96.59 10.62 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.137 0.468 . . . . 22.3 110.896 -178.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.08 -38.47 85.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.68 0.993 . . . . 23.59 113.68 -176.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -62.54 -47.63 83.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.135 0.493 . . . . 33.44 111.564 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.35 -32.15 73.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.851 -0.613 . . . . 16.6 111.029 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -64.6 -39.71 94.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 22.64 110.838 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -68.44 -31.22 70.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.36 . . . . 23.54 110.062 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.53 -38.4 71.07 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.848 -0.614 . . . . 14.74 109.362 177.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 48.6 ttp -62.89 -50.3 71.42 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.678 -0.692 . . . . 16.1 110.255 176.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.72 -30.94 69.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.85 -0.614 . . . . 16.18 112.213 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.44 75.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.507 -0.315 . . . . 17.54 111.299 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -92.27 -18.45 23.38 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 113.251 0.834 . . . . 20.33 113.251 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.54 51.79 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.579 0.955 . . . . 24.31 113.579 -173.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 52.4 32.61 11.5 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.341 1.238 . . . . 36.88 114.341 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.74 -5.46 61.42 Favored Glycine 0 C--N 1.331 0.267 0 CA-C-N 116.634 -0.257 . . . . 20.91 113.541 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -71.18 135.05 47.37 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.694 0.257 . . . . 32.35 111.694 -177.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -112.68 6.71 18.37 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.718 0.636 . . . . 34.29 112.718 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.3 p -72.73 155.4 40.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 19.2 110.462 179.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.0 mt -116.6 142.39 29.54 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.359 -0.382 . . . . 16.93 111.094 -177.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -84.91 170.75 46.42 Favored 'Cis proline' 0 C--N 1.344 0.296 0 O-C-N 122.207 0.583 . . . . 15.07 112.587 -2.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -122.65 126.91 48.6 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.339 -0.615 . . . . 16.07 109.339 169.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.9 mt -118.3 139.94 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.567 . . . . 14.15 111.935 -170.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -133.97 142.39 47.65 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.144 -0.48 . . . . 15.61 110.502 -178.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.5 mt -135.15 119.05 25.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.36 -0.607 . . . . 19.08 109.36 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 52.92 42.68 32.13 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 123.457 0.473 . . . . 31.47 110.637 -174.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 67.38 9.07 6.73 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.853 1.427 . . . . 22.88 114.853 176.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.91 136.21 38.54 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.714 -0.476 . . . . 41.43 109.714 172.135 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -77.07 119.25 20.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 17.07 111.865 -177.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -90.73 -42.46 13.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.058 -0.519 . . . . 19.03 110.958 179.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.23 -148.76 18.5 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 116.061 -0.518 . . . . 12.59 112.796 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -95.12 -162.28 34.4 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 115.274 0.87 . . . . 12.66 115.274 -175.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.9 -48.39 80.69 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.444 0.535 . . . . 18.83 112.444 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -58.77 -39.38 80.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.045 0.45 . . . . 28.21 111.328 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -62.9 -48.32 79.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.338 -0.846 . . . . 21.81 113.178 -177.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.9 tt -70.02 -34.08 58.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.884 -0.326 . . . . 20.96 111.547 -178.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -73.3 -29.91 63.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 18.08 111.241 178.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.36 74.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.399 . . . . 17.73 109.927 175.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.64 -41.66 97.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 19.94 110.592 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -68.25 -36.78 79.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 20.36 111.913 -178.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.17 -22.86 76.27 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 116.273 -0.421 . . . . 18.25 113.125 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -103.12 7.4 38.79 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.387 0.514 . . . . 20.13 112.387 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.64 24.0 71.3 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 114.341 0.496 . . . . 24.45 114.341 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -101.54 -8.89 21.49 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 114.101 1.148 . . . . 27.1 114.101 -176.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 tp -82.24 -46.97 13.0 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.362 0.875 . . . . 20.88 113.362 -173.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -52.58 -45.78 95.9 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 115.178 1.547 . . . . 21.22 115.178 -178.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -71.39 -7.29 20.97 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 117.064 -1.491 . . . . 23.84 114.172 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 mt -86.08 -26.71 25.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.454 -0.573 . . . . 19.9 109.454 173.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.691 ' N ' ' HA ' ' A' ' 87' ' ' HIS . 64.8 mt -76.19 -21.94 55.89 Favored 'General case' 0 CA--C 1.564 1.51 1 N-CA-C 123.783 4.734 . . . . 37.68 123.783 -169.286 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.691 ' HA ' ' N ' ' A' ' 86' ' ' LEU . 1.6 p80 -125.25 65.35 1.14 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 121.979 2.172 . . . . 47.51 115.99 3.306 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 126.287 1.835 . . . . 42.18 109.891 165.936 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SO4 . . . . . 0.709 ' O3 ' ' O ' ' A' ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.709 ' O ' ' O3 ' ' A' ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.688 ' O ' ' NE2' ' A' ' -3' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_