data_6eb9_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6eb9 _Structure_validation_residue.Date_analyzed 2019-03-08 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 ' 7' ' ' ASP . . . . . . . . . . . . . 15.5 t0 . . . . . 0 CA--C 1.509 -0.604 0 CA-C-O 121.453 0.644 . . . . 53.16 111.26 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -110.36 -10.83 14.57 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 114.346 1.239 . . . . 56.52 114.346 -162.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -64.3 139.53 58.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 118.626 0.648 . . . . 28.46 110.124 175.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -96.04 112.66 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.096 0 N-CA-C 107.234 -1.395 . . . . 56.63 107.234 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.9 mmt -59.52 151.03 62.9 Favored Pre-proline 0 C--O 1.241 0.609 0 CA-C-O 121.618 0.723 . . . . 30.58 111.577 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.03 -39.39 91.17 Favored 'Trans proline' 0 CA--C 1.513 -0.57 0 N-CA-C 114.96 1.1 . . . . 21.24 114.96 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.1 p -66.64 -22.55 66.1 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 118.779 0.718 . . . . 27.76 110.954 -179.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.95 -46.29 11.38 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.982 0.42 . . . . 32.33 111.021 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -55.38 -52.92 61.95 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.214 0.605 . . . . 26.67 111.683 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -85.14 1.86 46.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.321 0.86 . . . . 27.71 113.321 -171.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -97.5 5.27 49.88 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.431 1.014 . . . . 30.93 113.236 173.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -78.34 -9.08 59.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 114.498 1.296 . . . . 38.5 114.498 -178.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 p -92.36 8.42 38.53 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 119.871 1.214 . . . . 41.0 112.352 172.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -88.64 147.79 24.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.64 0.733 . . . . 32.1 110.343 -174.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -95.18 170.99 7.05 Favored Pre-proline 0 C--N 1.307 -1.281 0 CA-C-N 115.359 -0.837 . . . . 62.75 110.066 168.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -54.91 -46.0 36.64 Favored 'Trans proline' 0 CA--C 1.514 -0.523 0 N-CA-C 115.896 1.46 . . . . 30.41 115.896 -161.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -58.46 -40.16 81.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 119.858 -0.737 . . . . 65.6 110.692 -176.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' OD2' ' O ' ' A' ' 201' ' ' HOH . 90.8 m-20 -74.94 -37.06 62.09 Favored 'General case' 0 CA--C 1.516 -0.327 0 O-C-N 122.175 -0.328 . . . . 31.99 110.656 -178.512 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.9 m -59.46 -41.79 90.52 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.174 -0.61 . . . . 29.03 110.922 174.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -68.7 -33.18 73.51 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 118.415 -1.314 . . . . 33.86 111.063 -176.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -66.05 -46.34 78.16 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.139 0.495 . . . . 27.22 110.837 176.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.0 tp -57.12 -45.82 83.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 23.4 111.195 174.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -68.76 -30.53 69.16 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 119.736 -0.786 . . . . 34.55 112.508 -174.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -58.91 -43.77 91.11 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.966 -0.383 . . . . 26.12 109.966 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -74.5 -41.67 60.3 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.648 -0.821 . . . . 19.91 111.653 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.61 68.75 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.481 -0.888 . . . . 26.27 111.504 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.0 -16.01 58.47 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.646 0.98 . . . . 39.94 113.646 -175.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -113.12 -28.13 7.77 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 115.051 1.5 . . . . 33.02 115.051 -177.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.55 -28.41 69.92 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 119.005 0.821 . . . . 26.89 112.837 -169.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.35 -10.7 36.69 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.025 -1.56 . . . . 30.89 113.979 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -77.94 -10.93 59.83 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.578 0.955 . . . . 46.03 113.578 -178.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -110.92 158.23 18.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 119.202 0.91 . . . . 29.33 110.497 -163.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.7 p30 -82.53 168.99 16.84 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.189 -0.914 . . . . 41.03 110.795 -177.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -64.49 -37.05 86.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.143 -0.935 . . . . 31.16 111.041 -170.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -58.59 -47.2 85.12 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.911 -0.716 . . . . 47.24 110.885 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.2 m -60.19 -47.04 87.62 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.105 0.479 . . . . 27.1 111.287 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.84 -44.21 93.85 Favored 'General case' 0 C--O 1.245 0.837 0 O-C-N 121.937 -0.477 . . . . 22.44 112.163 -179.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.2 m -62.78 -42.08 99.54 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 120.928 -0.309 . . . . 32.0 111.415 178.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -58.54 -43.74 89.36 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 119.488 -0.885 . . . . 41.9 111.301 173.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -66.98 -33.11 74.86 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 119.888 -0.725 . . . . 35.19 111.505 -179.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.1 t -64.62 -41.92 95.86 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 119.048 -1.061 . . . . 29.95 110.112 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.1 t -65.23 -47.53 87.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 O-C-N 121.908 -0.495 . . . . 22.43 110.087 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.88 -32.95 74.75 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 112.297 0.48 . . . . 24.82 112.297 -177.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.0 mmm -66.1 -34.33 77.82 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 118.299 -1.36 . . . . 22.44 110.391 172.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.31 -43.65 98.78 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.983 -0.627 . . . . 18.24 112.934 172.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.69 -48.95 84.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 O-C-N 122.297 -0.531 . . . . 17.88 110.451 174.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.73 -45.53 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.794 -0.566 . . . . 22.08 111.251 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -72.39 -25.43 61.5 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 118.365 -1.334 . . . . 20.39 110.892 -177.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.1 t -71.0 -36.96 72.65 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 118.46 -1.296 . . . . 30.76 110.561 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.59 -47.6 88.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.402 0.62 . . . . 22.53 110.873 173.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -58.5 -35.36 72.11 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.801 -1.159 . . . . 31.46 111.828 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.0 mt -73.17 -37.62 66.48 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.02 -0.672 . . . . 19.72 111.998 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.3 mt -51.97 -49.75 36.87 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 CA-C-O 122.289 1.042 . . . . 26.78 110.698 169.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -69.85 -36.19 75.34 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.815 -0.63 . . . . 24.18 111.611 -174.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.3 -36.59 84.6 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 121.658 -0.651 . . . . 28.7 111.718 173.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.42 -38.35 90.7 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.059 -0.401 . . . . 36.57 110.915 175.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.4 mtp -62.61 -43.69 98.17 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.667 -0.646 . . . . 54.67 111.082 175.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -58.52 -41.83 86.33 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.384 -0.527 . . . . 55.85 111.785 175.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -71.49 -37.06 71.3 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.476 -0.89 . . . . 27.1 110.832 -176.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -58.19 -37.43 74.77 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.16 -1.016 . . . . 46.63 111.243 172.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -69.99 -35.41 74.39 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 119.44 -0.904 . . . . 30.06 111.335 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.68 -42.14 95.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 120.086 -0.646 . . . . 21.1 110.366 175.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -57.63 -42.96 84.43 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 121.869 -0.519 . . . . 59.28 111.922 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -64.01 -38.71 92.07 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 122.164 -0.335 . . . . 39.75 111.673 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . 0.613 ' NE2' ' O ' ' A' ' 204' ' ' HOH . 14.6 mm-40 -67.52 -39.29 85.11 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.002 -0.679 . . . . 44.89 111.561 175.613 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.47 -35.66 75.07 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 C-N-CA 119.736 -0.786 . . . . 25.22 110.892 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -61.64 -41.58 97.7 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 121.639 -0.663 . . . . 36.33 111.142 173.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -62.81 -39.05 93.08 Favored 'General case' 0 C--O 1.246 0.894 0 C-N-CA 120.259 -0.576 . . . . 61.05 111.143 178.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.74 -46.84 95.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.298 0.57 . . . . 23.43 110.298 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.9 -39.06 83.63 Favored 'Isoleucine or valine' 0 C--O 1.245 0.844 0 C-N-CA 119.184 -1.006 . . . . 28.33 110.168 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -63.06 -41.91 99.56 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 121.608 -0.683 . . . . 39.1 111.933 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -63.13 -36.98 85.43 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 122.009 -0.432 . . . . 48.14 111.297 175.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.98 -36.62 75.33 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 118.867 -1.133 . . . . 28.91 111.046 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.25 -40.59 90.8 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.589 -0.694 . . . . 55.31 111.079 172.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.2 m -64.04 -41.57 97.36 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 119.937 -0.705 . . . . 38.42 111.508 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.16 -41.34 90.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 110.062 -0.347 . . . . 35.82 110.062 176.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -52.91 -49.09 66.64 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.239 0.543 . . . . 49.13 110.643 174.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -58.71 -45.22 90.05 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.457 -0.338 . . . . 60.47 111.754 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.08 -43.56 97.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 O-C-N 121.936 -0.478 . . . . 40.85 110.376 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.66 -34.36 77.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 119.603 -0.839 . . . . 42.85 112.181 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.91 95.65 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 118.832 -1.147 . . . . 43.75 110.77 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -63.42 -34.97 78.91 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.267 -0.573 . . . . 89.61 111.313 172.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.7 m -66.45 -44.4 82.93 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 119.947 -0.701 . . . . 47.75 111.31 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -78.3 -19.13 54.21 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 118.008 -1.477 . . . . 51.59 112.449 -174.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.4 p -82.31 -24.7 34.49 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.696 0.68 . . . . 55.75 111.575 171.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.7 77.84 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.457 -0.497 . . . . 42.54 110.997 168.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.7 mt -70.0 -34.58 73.51 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 120.677 -0.409 . . . . 48.54 111.266 178.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.5 p -74.11 -32.18 63.09 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.135 -1.026 . . . . 52.07 111.165 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -65.21 -42.2 93.72 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.524 -0.47 . . . . 45.49 110.952 170.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.3 mt -68.49 -40.17 81.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 C-N-CA 120.15 -0.62 . . . . 41.92 110.317 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.36 -38.1 89.83 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 119.082 -1.047 . . . . 72.33 110.366 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.7 -35.69 92.35 Favored Glycine 0 C--N 1.341 0.807 0 C-N-CA 120.627 -0.797 . . . . 44.63 114.043 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -67.59 -35.14 78.43 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 118.951 -1.099 . . . . 47.79 111.051 178.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.5 mt -71.43 -38.05 71.41 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 122.319 -0.238 . . . . 50.23 111.598 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.2 t -60.53 -42.42 91.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 120.046 -0.661 . . . . 46.83 110.317 174.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.8 m -67.05 -37.81 84.74 Favored 'General case' 0 C--O 1.249 1.076 0 C-N-CA 119.907 -0.717 . . . . 45.27 111.744 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 99.6 mtp -66.41 -46.09 77.74 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 122.135 -0.353 . . . . 60.49 111.663 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 78.2 mtp -60.41 -27.21 67.29 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.4 -0.92 . . . . 54.72 111.26 178.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.0 mt -74.35 -36.61 43.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 120.523 -0.471 . . . . 40.7 110.292 176.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 78.5 mtp -71.99 -33.26 67.97 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.19 0.596 . . . . 51.58 111.796 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 18.7 mt . . . . . 0 N--CA 1.445 -0.703 0 C-N-CA 123.853 0.861 . . . . 48.13 109.414 176.995 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.49 ' O ' ' OD2' ' A' ' 24' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.613 ' O ' ' NE2' ' A' ' 71' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud 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 0 . 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 orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 265' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.5 t0 . . . . . 0 CA--C 1.509 -0.604 0 CA-C-O 121.453 0.644 . . . . 53.16 111.26 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -110.36 -10.83 14.57 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 114.346 1.239 . . . . 56.52 114.346 -162.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -64.3 139.53 58.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 118.626 0.648 . . . . 28.46 110.124 175.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -96.04 112.66 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.096 0 N-CA-C 107.234 -1.395 . . . . 56.63 107.234 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.9 mmt -59.52 151.03 62.9 Favored Pre-proline 0 C--O 1.241 0.609 0 CA-C-O 121.618 0.723 . . . . 30.58 111.577 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.03 -39.39 91.17 Favored 'Trans proline' 0 CA--C 1.513 -0.57 0 N-CA-C 114.96 1.1 . . . . 21.24 114.96 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.1 p -66.64 -22.55 66.1 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 118.779 0.718 . . . . 27.76 110.954 -179.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.95 -46.29 11.38 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.982 0.42 . . . . 32.33 111.021 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -55.38 -52.92 61.95 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.214 0.605 . . . . 26.67 111.683 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -85.14 1.86 46.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.321 0.86 . . . . 27.71 113.321 -171.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -97.5 5.27 49.88 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.431 1.014 . . . . 30.93 113.236 173.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -78.34 -9.08 59.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 114.498 1.296 . . . . 38.5 114.498 -178.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 p -92.36 8.42 38.53 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 119.871 1.214 . . . . 41.0 112.352 172.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -88.64 147.79 24.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.64 0.733 . . . . 32.1 110.343 -174.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -95.18 170.99 7.05 Favored Pre-proline 0 C--N 1.307 -1.281 0 CA-C-N 115.359 -0.837 . . . . 62.75 110.066 168.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -54.91 -46.0 36.64 Favored 'Trans proline' 0 CA--C 1.514 -0.523 0 N-CA-C 115.896 1.46 . . . . 30.41 115.896 -161.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -58.46 -40.16 81.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 119.858 -0.737 . . . . 65.6 110.692 -176.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' OD2' ' O ' ' A' ' 201' ' ' HOH . 90.8 m-20 -74.94 -37.06 62.09 Favored 'General case' 0 CA--C 1.516 -0.327 0 O-C-N 122.175 -0.328 . . . . 31.99 110.656 -178.512 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.9 m -59.46 -41.79 90.52 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.174 -0.61 . . . . 29.03 110.922 174.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -68.7 -33.18 73.51 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 118.415 -1.314 . . . . 33.86 111.063 -176.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -66.05 -46.34 78.16 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.139 0.495 . . . . 27.22 110.837 176.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.0 tp -57.12 -45.82 83.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 23.4 111.195 174.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -68.76 -30.53 69.16 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 119.736 -0.786 . . . . 34.55 112.508 -174.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -58.91 -43.77 91.11 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.966 -0.383 . . . . 26.12 109.966 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -74.5 -41.67 60.3 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.648 -0.821 . . . . 19.91 111.653 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.61 68.75 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.481 -0.888 . . . . 26.27 111.504 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.0 -16.01 58.47 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.646 0.98 . . . . 39.94 113.646 -175.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -113.12 -28.13 7.77 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 115.051 1.5 . . . . 33.02 115.051 -177.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.55 -28.41 69.92 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 119.005 0.821 . . . . 26.89 112.837 -169.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.35 -10.7 36.69 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.025 -1.56 . . . . 30.89 113.979 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -77.94 -10.93 59.83 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.578 0.955 . . . . 46.03 113.578 -178.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -110.92 158.23 18.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 119.202 0.91 . . . . 29.33 110.497 -163.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.7 p30 -82.53 168.99 16.84 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.189 -0.914 . . . . 41.03 110.795 -177.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -64.49 -37.05 86.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.143 -0.935 . . . . 31.16 111.041 -170.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -58.59 -47.2 85.12 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.911 -0.716 . . . . 47.24 110.885 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.2 m -60.19 -47.04 87.62 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.105 0.479 . . . . 27.1 111.287 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.84 -44.21 93.85 Favored 'General case' 0 C--O 1.245 0.837 0 O-C-N 121.937 -0.477 . . . . 22.44 112.163 -179.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.2 m -62.78 -42.08 99.54 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 120.928 -0.309 . . . . 32.0 111.415 178.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -58.54 -43.74 89.36 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 119.488 -0.885 . . . . 41.9 111.301 173.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -66.98 -33.11 74.86 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 119.888 -0.725 . . . . 35.19 111.505 -179.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.1 t -64.62 -41.92 95.86 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 119.048 -1.061 . . . . 29.95 110.112 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.1 t -65.23 -47.53 87.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 O-C-N 121.908 -0.495 . . . . 22.43 110.087 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.88 -32.95 74.75 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 112.297 0.48 . . . . 24.82 112.297 -177.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.0 mmm -66.1 -34.33 77.82 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 118.299 -1.36 . . . . 22.44 110.391 172.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.31 -43.65 98.78 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.983 -0.627 . . . . 18.24 112.934 172.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.69 -48.95 84.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 O-C-N 122.297 -0.531 . . . . 17.88 110.451 174.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.73 -45.53 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.794 -0.566 . . . . 22.08 111.251 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -72.39 -25.43 61.5 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 118.365 -1.334 . . . . 20.39 110.892 -177.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.1 t -71.0 -36.96 72.65 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 118.46 -1.296 . . . . 31.29 110.561 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.59 -47.6 88.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.402 0.62 . . . . 22.53 110.873 173.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -58.5 -35.36 72.11 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.801 -1.159 . . . . 31.46 111.828 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.0 mt -73.17 -37.62 66.48 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.02 -0.672 . . . . 19.72 111.998 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.3 mt -51.97 -49.75 36.87 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 CA-C-O 122.289 1.042 . . . . 26.78 110.698 169.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -69.85 -36.19 75.34 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.815 -0.63 . . . . 24.18 111.611 -174.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.3 -36.59 84.6 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 121.658 -0.651 . . . . 28.7 111.718 173.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.42 -38.35 90.7 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.059 -0.401 . . . . 36.57 110.915 175.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.4 mtp -62.61 -43.69 98.17 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.667 -0.646 . . . . 54.67 111.082 175.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -58.52 -41.83 86.33 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.384 -0.527 . . . . 55.85 111.785 175.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -71.49 -37.06 71.3 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.476 -0.89 . . . . 27.1 110.832 -176.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -58.19 -37.43 74.77 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.16 -1.016 . . . . 46.63 111.243 172.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -69.99 -35.41 74.39 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 119.44 -0.904 . . . . 30.06 111.335 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.68 -42.14 95.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 120.086 -0.646 . . . . 21.1 110.366 175.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -57.63 -42.96 84.43 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 121.869 -0.519 . . . . 59.28 111.922 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -64.01 -38.71 92.07 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 122.164 -0.335 . . . . 39.75 111.673 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . 0.411 ' NE2' ' O ' ' A' ' 204' ' ' HOH . 14.6 mm-40 -67.52 -39.29 85.11 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.002 -0.679 . . . . 44.89 111.561 175.613 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.47 -35.66 75.07 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 C-N-CA 119.736 -0.786 . . . . 25.22 110.892 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -61.64 -41.58 97.7 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 121.639 -0.663 . . . . 36.33 111.142 173.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -62.81 -39.05 93.08 Favored 'General case' 0 C--O 1.246 0.894 0 C-N-CA 120.259 -0.576 . . . . 61.05 111.143 178.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.74 -46.84 95.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.298 0.57 . . . . 23.43 110.298 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.9 -39.06 83.63 Favored 'Isoleucine or valine' 0 C--O 1.245 0.844 0 C-N-CA 119.184 -1.006 . . . . 28.33 110.168 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -63.06 -41.91 99.56 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 121.608 -0.683 . . . . 39.1 111.933 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -63.13 -36.98 85.43 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 122.009 -0.432 . . . . 48.14 111.297 175.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.98 -36.62 75.33 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 118.867 -1.133 . . . . 28.91 111.046 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.25 -40.59 90.8 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.589 -0.694 . . . . 55.31 111.079 172.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.2 m -64.04 -41.57 97.36 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 119.937 -0.705 . . . . 38.42 111.508 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.16 -41.34 90.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 110.062 -0.347 . . . . 35.82 110.062 176.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -52.91 -49.09 66.64 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.239 0.543 . . . . 49.13 110.643 174.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -58.71 -45.22 90.05 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.457 -0.338 . . . . 60.47 111.754 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.08 -43.56 97.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 O-C-N 121.936 -0.478 . . . . 40.85 110.376 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.66 -34.36 77.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 119.603 -0.839 . . . . 42.85 112.181 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.91 95.65 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 118.832 -1.147 . . . . 43.75 110.77 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -63.42 -34.97 78.91 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.267 -0.573 . . . . 89.61 111.313 172.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.7 m -66.45 -44.4 82.93 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 119.947 -0.701 . . . . 47.75 111.31 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -78.3 -19.13 54.21 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 118.008 -1.477 . . . . 51.59 112.449 -174.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.4 p -82.31 -24.7 34.49 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.696 0.68 . . . . 55.75 111.575 171.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.7 77.84 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.457 -0.497 . . . . 42.54 110.997 168.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.7 mt -70.0 -34.58 73.51 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 120.677 -0.409 . . . . 48.54 111.266 178.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.5 p -74.11 -32.18 63.09 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.135 -1.026 . . . . 52.07 111.165 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -65.21 -42.2 93.72 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.524 -0.47 . . . . 45.49 110.952 170.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.3 mt -68.49 -40.17 81.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 C-N-CA 120.15 -0.62 . . . . 41.92 110.317 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.36 -38.1 89.83 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 119.082 -1.047 . . . . 72.33 110.366 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.7 -35.69 92.35 Favored Glycine 0 C--N 1.341 0.807 0 C-N-CA 120.627 -0.797 . . . . 44.63 114.043 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -67.59 -35.14 78.43 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 118.951 -1.099 . . . . 47.79 111.051 178.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.5 mt -71.43 -38.05 71.41 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 122.319 -0.238 . . . . 50.23 111.598 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.2 t -60.53 -42.42 91.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 120.046 -0.661 . . . . 46.83 110.317 174.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.8 m -67.05 -37.81 84.74 Favored 'General case' 0 C--O 1.249 1.076 0 C-N-CA 119.907 -0.717 . . . . 45.27 111.744 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 99.6 mtp -66.41 -46.09 77.74 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 122.135 -0.353 . . . . 60.49 111.663 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 78.2 mtp -60.41 -27.21 67.29 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.4 -0.92 . . . . 54.72 111.26 178.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.0 mt -74.35 -36.61 43.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 120.523 -0.471 . . . . 40.7 110.292 176.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 78.5 mtp -71.99 -33.26 67.97 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.19 0.596 . . . . 51.58 111.796 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 18.7 mt . . . . . 0 N--CA 1.445 -0.703 0 C-N-CA 123.853 0.861 . . . . 48.13 109.414 176.995 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.49 ' O ' ' OD2' ' A' ' 24' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.411 ' O ' ' NE2' ' A' ' 71' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud 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 build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 265' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.5 t0 . . . . . 0 CA--C 1.509 -0.604 0 CA-C-O 121.453 0.644 . . . . 53.16 111.26 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -110.36 -10.83 14.57 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 114.346 1.239 . . . . 56.52 114.346 -162.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -64.3 139.53 58.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 118.626 0.648 . . . . 28.46 110.124 175.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -96.04 112.66 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.096 0 N-CA-C 107.234 -1.395 . . . . 56.63 107.234 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.9 mmt -59.52 151.03 62.9 Favored Pre-proline 0 C--O 1.241 0.609 0 CA-C-O 121.618 0.723 . . . . 30.58 111.577 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.03 -39.39 91.17 Favored 'Trans proline' 0 CA--C 1.513 -0.57 0 N-CA-C 114.96 1.1 . . . . 21.24 114.96 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.1 p -66.64 -22.55 66.1 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 118.779 0.718 . . . . 27.76 110.954 -179.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.95 -46.29 11.38 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.982 0.42 . . . . 32.33 111.021 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -55.38 -52.92 61.95 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.214 0.605 . . . . 26.67 111.683 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -85.14 1.86 46.09 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.321 0.86 . . . . 27.71 113.321 -171.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -97.5 5.27 49.88 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.431 1.014 . . . . 30.93 113.236 173.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -78.34 -9.08 59.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 114.498 1.296 . . . . 38.5 114.498 -178.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 p -92.36 8.42 38.53 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 119.871 1.214 . . . . 41.0 112.352 172.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -88.64 147.79 24.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.64 0.733 . . . . 32.1 110.343 -174.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -95.18 170.99 7.05 Favored Pre-proline 0 C--N 1.307 -1.281 0 CA-C-N 115.359 -0.837 . . . . 62.75 110.066 168.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -54.91 -46.0 36.64 Favored 'Trans proline' 0 CA--C 1.514 -0.523 0 N-CA-C 115.896 1.46 . . . . 30.41 115.896 -161.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -58.46 -40.16 81.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 119.858 -0.737 . . . . 65.6 110.692 -176.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' OD2' ' O ' ' A' ' 201' ' ' HOH . 90.8 m-20 -74.94 -37.06 62.09 Favored 'General case' 0 CA--C 1.516 -0.327 0 O-C-N 122.175 -0.328 . . . . 31.99 110.656 -178.512 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.9 m -59.46 -41.79 90.52 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.174 -0.61 . . . . 29.03 110.922 174.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -68.7 -33.18 73.51 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 118.415 -1.314 . . . . 33.86 111.063 -176.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -66.05 -46.34 78.16 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.139 0.495 . . . . 27.22 110.837 176.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.0 tp -57.12 -45.82 83.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 23.4 111.195 174.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -68.76 -30.53 69.16 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 119.736 -0.786 . . . . 34.55 112.508 -174.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -58.91 -43.77 91.11 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.966 -0.383 . . . . 26.12 109.966 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -74.5 -41.67 60.3 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.648 -0.821 . . . . 19.91 111.653 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.61 68.75 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.481 -0.888 . . . . 26.27 111.504 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.0 -16.01 58.47 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.646 0.98 . . . . 39.94 113.646 -175.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -113.12 -28.13 7.77 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 115.051 1.5 . . . . 33.02 115.051 -177.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.55 -28.41 69.92 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 119.005 0.821 . . . . 26.89 112.837 -169.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.35 -10.7 36.69 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.025 -1.56 . . . . 30.89 113.979 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -77.94 -10.93 59.83 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.578 0.955 . . . . 46.03 113.578 -178.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -110.92 158.23 18.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 119.202 0.91 . . . . 29.33 110.497 -163.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.7 p30 -82.53 168.99 16.84 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.189 -0.914 . . . . 41.03 110.795 -177.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.7 mt -64.49 -37.05 86.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.143 -0.935 . . . . 31.16 111.041 -170.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -58.59 -47.2 85.12 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.911 -0.716 . . . . 47.24 110.885 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.2 m -60.19 -47.04 87.62 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.105 0.479 . . . . 27.1 111.287 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.84 -44.21 93.85 Favored 'General case' 0 C--O 1.245 0.837 0 O-C-N 121.937 -0.477 . . . . 22.44 112.163 -179.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.2 m -62.78 -42.08 99.54 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 120.928 -0.309 . . . . 32.0 111.415 178.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -58.54 -43.74 89.36 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 119.488 -0.885 . . . . 41.9 111.301 173.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -66.98 -33.11 74.86 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 119.888 -0.725 . . . . 35.19 111.505 -179.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.1 t -64.62 -41.92 95.86 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 119.048 -1.061 . . . . 29.95 110.112 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.1 t -65.23 -47.53 87.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 O-C-N 121.908 -0.495 . . . . 22.43 110.087 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.88 -32.95 74.75 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 112.297 0.48 . . . . 24.82 112.297 -177.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.0 mmm -66.1 -34.33 77.82 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 118.299 -1.36 . . . . 22.44 110.391 172.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.31 -43.65 98.78 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.983 -0.627 . . . . 18.24 112.934 172.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.69 -48.95 84.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 O-C-N 122.297 -0.531 . . . . 17.88 110.451 174.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.7 mt -55.73 -45.53 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.794 -0.566 . . . . 22.08 111.251 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -72.39 -25.43 61.5 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 118.365 -1.334 . . . . 20.39 110.892 -177.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.1 t -71.0 -36.96 72.65 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 118.46 -1.296 . . . . 31.29 110.561 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.59 -47.6 88.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.402 0.62 . . . . 22.53 110.873 173.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -58.5 -35.36 72.11 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.801 -1.159 . . . . 31.46 111.828 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.0 mt -73.17 -37.62 66.48 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.02 -0.672 . . . . 19.72 111.998 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.3 mt -51.97 -49.75 36.87 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 CA-C-O 122.289 1.042 . . . . 26.78 110.698 169.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -69.85 -36.19 75.34 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.815 -0.63 . . . . 24.18 111.611 -174.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.3 -36.59 84.6 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 121.658 -0.651 . . . . 28.7 111.718 173.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.42 -38.35 90.7 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.059 -0.401 . . . . 36.57 110.915 175.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.4 mtp -62.61 -43.69 98.17 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.667 -0.646 . . . . 54.67 111.082 175.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -58.52 -41.83 86.33 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.384 -0.527 . . . . 55.85 111.785 175.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -71.49 -37.06 71.3 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.476 -0.89 . . . . 27.1 110.832 -176.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -58.19 -37.43 74.77 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.16 -1.016 . . . . 46.63 111.243 172.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -69.99 -35.41 74.39 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 119.44 -0.904 . . . . 30.06 111.335 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.68 -42.14 95.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 120.086 -0.646 . . . . 21.1 110.366 175.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -57.63 -42.96 84.43 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 121.869 -0.519 . . . . 59.28 111.922 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -64.01 -38.71 92.07 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 122.164 -0.335 . . . . 39.75 111.673 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.411 ' NE2' ' O ' ' A' ' 204' ' ' HOH . 14.6 mm-40 -67.52 -39.29 85.11 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.002 -0.679 . . . . 44.89 111.561 175.613 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.47 -35.66 75.07 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 C-N-CA 119.736 -0.786 . . . . 25.22 110.892 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -61.64 -41.58 97.7 Favored 'General case' 0 C--O 1.242 0.668 0 O-C-N 121.639 -0.663 . . . . 36.33 111.142 173.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -62.81 -39.05 93.08 Favored 'General case' 0 C--O 1.246 0.894 0 C-N-CA 120.259 -0.576 . . . . 61.05 111.143 178.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.74 -46.84 95.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.298 0.57 . . . . 23.43 110.298 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.7 mt -62.9 -39.06 83.63 Favored 'Isoleucine or valine' 0 C--O 1.245 0.844 0 C-N-CA 119.184 -1.006 . . . . 28.33 110.168 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -63.06 -41.91 99.56 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 121.608 -0.683 . . . . 39.1 111.933 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -63.13 -36.98 85.43 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 122.009 -0.432 . . . . 48.14 111.297 175.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.98 -36.62 75.33 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 118.867 -1.133 . . . . 28.91 111.046 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.25 -40.59 90.8 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.589 -0.694 . . . . 55.31 111.079 172.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.2 m -64.04 -41.57 97.36 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 119.937 -0.705 . . . . 38.42 111.508 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.16 -41.34 90.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 110.062 -0.347 . . . . 35.82 110.062 176.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -52.91 -49.09 66.64 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.239 0.543 . . . . 49.13 110.643 174.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -58.71 -45.22 90.05 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.457 -0.338 . . . . 60.47 111.754 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.08 -43.56 97.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 O-C-N 121.936 -0.478 . . . . 40.85 110.376 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.66 -34.36 77.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 119.603 -0.839 . . . . 42.85 112.181 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.91 95.65 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 118.832 -1.147 . . . . 43.75 110.77 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -63.42 -34.97 78.91 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 120.267 -0.573 . . . . 89.61 111.313 172.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.7 m -66.45 -44.4 82.93 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 119.947 -0.701 . . . . 47.75 111.31 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -78.3 -19.13 54.21 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 118.008 -1.477 . . . . 51.59 112.449 -174.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.4 p -82.31 -24.7 34.49 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.696 0.68 . . . . 55.75 111.575 171.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.52 -35.7 77.84 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.457 -0.497 . . . . 42.54 110.997 168.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.7 mt -70.0 -34.58 73.51 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 120.677 -0.409 . . . . 48.54 111.266 178.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.5 p -74.11 -32.18 63.09 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.135 -1.026 . . . . 52.07 111.165 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -65.21 -42.2 93.72 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.524 -0.47 . . . . 45.49 110.952 170.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.3 mt -68.49 -40.17 81.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 C-N-CA 120.15 -0.62 . . . . 41.92 110.317 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.36 -38.1 89.83 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 119.082 -1.047 . . . . 72.33 110.366 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.7 -35.69 92.35 Favored Glycine 0 C--N 1.341 0.807 0 C-N-CA 120.627 -0.797 . . . . 44.63 114.043 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -67.59 -35.14 78.43 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 118.951 -1.099 . . . . 47.79 111.051 178.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.5 mt -71.43 -38.05 71.41 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 122.319 -0.238 . . . . 50.23 111.598 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.2 t -60.53 -42.42 91.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 120.046 -0.661 . . . . 46.83 110.317 174.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.8 m -67.05 -37.81 84.74 Favored 'General case' 0 C--O 1.249 1.076 0 C-N-CA 119.907 -0.717 . . . . 45.27 111.744 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 99.6 mtp -66.41 -46.09 77.74 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 122.135 -0.353 . . . . 60.49 111.663 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 78.2 mtp -60.41 -27.21 67.29 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.4 -0.92 . . . . 54.72 111.26 178.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.0 mt -74.35 -36.61 43.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 120.523 -0.471 . . . . 40.7 110.292 176.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 78.5 mtp -71.99 -33.26 67.97 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.19 0.596 . . . . 51.58 111.796 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 18.7 mt . . . . . 0 N--CA 1.445 -0.703 0 C-N-CA 123.853 0.861 . . . . 48.13 109.414 176.995 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.49 ' O ' ' OD2' ' A' ' 24' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.411 ' O ' ' NE2' ' A' ' 71' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 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 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 265' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_