data_1a2t_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1a2t _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 239' ' ' HOH . 24.7 mt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 105.791 -1.929 . . . . 54.51 105.791 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -139.69 135.65 33.41 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.564 -0.902 . . . . 81.34 108.564 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -85.66 149.63 25.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.401 -0.52 . . . . 47.18 109.86 177.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -138.48 140.14 27.07 Favored Pre-proline 0 CA--C 1.507 -0.675 0 N-CA-C 107.319 -1.363 . . . . 51.89 107.319 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -66.78 152.31 80.77 Favored 'Trans proline' 0 CA--C 1.516 -0.397 0 C-N-CA 121.587 1.525 . . . . 40.06 113.397 -179.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.53 168.51 25.3 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 105.281 -2.118 . . . . 32.72 105.281 178.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.0 m -130.67 126.56 36.87 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.715 -0.846 . . . . 33.31 108.715 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 129.06 39.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.202 0.525 . . . . 36.61 111.445 -179.817 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.9 mt -105.73 -49.43 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 106.341 -1.725 . . . . 37.12 106.341 177.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -165.25 126.31 1.97 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.365 0.876 . . . . 65.48 113.365 -177.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.32 128.17 33.94 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.733 -1.951 . . . . 39.17 105.733 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.0 mt -96.38 -51.59 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 111.959 0.355 . . . . 39.77 111.959 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -153.7 -166.08 2.3 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.88 -1.526 . . . . 40.28 106.88 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.71 -36.74 66.21 Favored Glycine 0 C--O 1.219 -0.833 0 N-CA-C 116.442 1.337 . . . . 29.01 116.442 -177.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 p30 -121.03 2.49 10.45 Favored 'General case' 0 C--O 1.248 0.976 0 N-CA-C 118.481 2.771 . . . . 30.58 118.481 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.0 m -130.02 134.48 47.44 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.424 0.453 . . . . 31.35 111.271 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' CME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -103.45 132.19 49.92 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.013 -1.847 . . . . 79.86 106.013 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.0 mt -132.76 152.26 51.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.508 -0.769 . . . . 34.99 110.521 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.6 tpp -92.15 113.89 26.28 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 102.34 -3.207 . . . . 49.1 102.34 176.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -124.73 121.91 35.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.137 -0.69 . . . . 44.76 109.137 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mptt 59.72 39.71 20.65 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.553 0.692 . . . . 69.54 109.806 -178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.7 27.93 73.14 Favored Glycine 0 C--O 1.223 -0.547 0 CA-C-N 115.414 -0.812 . . . . 50.91 113.492 -179.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -141.29 127.45 11.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 117.193 0.497 . . . . 81.0 110.723 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -76.12 135.72 17.38 Favored 'Trans proline' 0 C--O 1.239 0.562 0 C-N-CA 117.984 -0.878 . . . . 41.23 111.222 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 27.0 ptm -156.8 155.1 30.99 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.987 -0.551 . . . . 56.82 110.426 176.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.22 142.23 27.83 Favored 'General case' 0 C--O 1.243 0.737 0 C-N-CA 119.39 -0.924 . . . . 40.24 109.82 179.133 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -117.02 148.71 41.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.368 -1.287 . . . . 32.01 109.995 -179.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -126.35 128.87 47.75 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 104.244 -2.502 . . . . 32.84 104.244 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.01 131.49 46.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 30.67 111.772 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.77 148.3 46.44 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.001 -0.545 . . . . 33.33 111.902 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.6 mt 59.33 11.43 2.18 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 120.922 3.675 . . . . 39.91 120.922 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.41 168.11 18.92 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 C-N-CA 118.595 -1.242 . . . . 34.8 112.735 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -147.0 109.91 4.7 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 113.461 0.911 . . . . 39.97 113.461 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.8 p -86.85 154.45 55.57 Favored Pre-proline 0 C--O 1.249 1.062 0 N-CA-C 104.545 -2.391 . . . . 36.32 104.545 176.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -61.59 152.17 75.37 Favored 'Trans proline' 0 C--O 1.244 0.824 0 CA-C-O 122.499 0.958 . . . . 42.58 114.223 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -73.35 144.49 46.47 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 113.256 -1.793 . . . . 46.22 112.83 -178.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -137.58 -7.26 1.7 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.744 -0.662 . . . . 45.82 110.659 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -110.42 -45.21 3.58 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 116.135 1.902 . . . . 65.93 116.135 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HIS . . . . . 0.561 ' HD1' ' H ' ' A' ' 48' ' ' LYS . 29.6 t-80 -72.59 120.4 80.44 Favored Pre-proline 0 CA--C 1.538 0.496 0 N-CA-C 117.17 2.285 . . . . 52.75 117.17 -176.57 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -57.7 -32.22 94.07 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.487 2.124 . . . . 55.47 113.162 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . 0.561 ' H ' ' HD1' ' A' ' 46' ' ' HIS . 4.1 tmmt? -61.59 -25.1 67.12 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.87 -0.332 . . . . 86.27 111.513 179.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' HZ1' ' H1 ' ' A' ' 225' ' ' HOH . 91.1 mttt -112.41 -23.63 10.21 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.257 -0.577 . . . . 63.69 110.798 179.508 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.04 -171.0 43.2 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 108.775 -1.73 . . . . 60.11 108.775 -178.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.0 t -85.61 104.58 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 N-CA-C 105.222 -2.14 . . . . 52.82 105.222 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -75.96 153.48 36.57 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.262 0.554 . . . . 61.09 112.104 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.05 127.36 31.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.62 -0.718 . . . . 77.73 110.604 -179.705 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 84.88 -3.86 0.94 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 114.606 1.335 . . . . 46.25 114.606 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -56.9 -54.83 33.75 Favored Glycine 0 C--O 1.225 -0.443 0 N-CA-C 110.985 -0.846 . . . . 35.82 110.985 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.3 -39.98 72.6 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 123.946 3.097 . . . . 36.51 112.189 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -63.59 -42.51 98.26 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.85 0.719 . . . . 52.9 110.524 179.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.85 92.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.015 -0.735 . . . . 30.77 109.015 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.6 m -61.31 -44.57 96.98 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 119.615 -0.834 . . . . 38.62 111.458 179.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.71 97.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.648 0.611 . . . . 34.06 112.648 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -61.71 -51.19 69.41 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.333 -0.617 . . . . 38.33 109.333 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.0 m -60.18 -46.59 89.2 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.241 0.543 . . . . 32.35 112.413 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -55.75 -51.65 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.466 -0.788 . . . . 52.5 109.779 -179.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -46.52 84.37 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.403 0.62 . . . . 65.48 110.486 179.399 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.5 ttt -61.26 -47.69 84.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.281 0.845 . . . . 38.36 113.281 -178.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.3 m -78.37 -31.7 16.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 C-N-CA 118.231 -1.388 . . . . 39.46 114.052 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -74.45 -25.46 59.43 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 114.951 1.463 . . . . 47.91 114.951 -178.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.31 0.43 50.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 115.19 1.552 . . . . 49.67 115.19 -179.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.82 143.63 43.85 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.064 0.459 . . . . 40.16 111.336 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . 0.592 ' HZ3' ' H1 ' ' A' ' 211' ' ' HOH . 51.5 mtmt -82.5 -33.57 28.29 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.075 -2.195 . . . . 34.75 105.075 176.461 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HZ3' ' H2 ' ' A' ' 246' ' ' HOH . 43.0 mtmt -136.68 132.85 35.5 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 116.183 1.92 . . . . 43.45 116.183 -177.999 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mt -117.72 137.76 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 N-CA-C 107.849 -1.167 . . . . 35.79 107.849 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -135.3 146.05 48.11 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.303 -0.999 . . . . 44.71 108.303 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.81 144.22 26.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 106.257 -1.757 . . . . 37.88 106.257 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -134.05 108.51 8.39 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.982 -0.747 . . . . 37.76 108.982 -178.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -75.56 155.12 36.34 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.992 -0.744 . . . . 34.51 108.992 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -91.38 -166.97 1.68 Allowed 'General case' 0 C--O 1.245 0.819 0 N-CA-C 106.492 -1.67 . . . . 35.1 106.492 177.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . 0.661 ' HZ2' ' HG1' ' A' ' 120' ' ' THR . 18.7 pttt -85.75 -8.23 58.28 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 117.906 2.558 . . . . 69.25 117.906 -177.328 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.24 -144.96 15.24 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.859 -0.686 . . . . 36.56 111.949 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.7 143.36 56.29 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.193 0.997 . . . . 49.8 112.467 179.853 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . 0.464 ' CG ' HH11 ' A' ' 81' ' ' ARG . 20.5 mtt85 -94.9 -7.14 40.95 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 116.145 1.906 . . . . 70.4 116.145 -177.938 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.3 p -141.98 155.42 45.44 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.271 -1.011 . . . . 37.0 108.271 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.3 p30 -96.28 -176.74 3.74 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 109.495 -0.558 . . . . 35.4 109.495 177.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -60.13 -21.14 61.23 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 115.744 1.757 . . . . 49.35 115.744 -179.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -92.61 5.32 51.37 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 123.02 0.528 . . . . 39.42 110.677 178.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.04 17.93 79.22 Favored Glycine 0 C--O 1.238 0.392 0 N-CA-C 115.499 0.96 . . . . 31.97 115.499 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -87.84 139.5 30.46 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.079 0.44 . . . . 31.55 110.2 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -70.61 137.26 27.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 108.96 -1.656 . . . . 29.65 108.96 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.0 mt -106.4 110.27 22.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.69 -0.856 . . . . 31.72 108.69 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.93 173.12 15.21 Favored 'General case' 0 C--O 1.251 1.155 0 N-CA-C 115.181 1.548 . . . . 30.71 115.181 -178.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -100.26 125.74 46.48 Favored 'General case' 0 N--CA 1.45 -0.447 1 N-CA-C 98.4 -4.667 . . . . 32.53 98.4 174.524 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.2 mt -110.52 133.17 56.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.577 -0.527 . . . . 33.03 109.577 -178.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -114.01 136.45 52.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.938 -1.028 . . . . 34.06 111.107 -179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.54 109.16 15.86 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 103.0 -2.963 . . . . 33.14 103.0 178.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 53.66 44.07 30.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.697 0.76 . . . . 41.26 111.664 -177.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.81 1.78 84.78 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 113.985 -1.461 . . . . 36.98 115.723 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -106.38 126.47 52.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.967 0.883 . . . . 72.29 108.984 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.6 ttm -71.31 114.43 9.37 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.525 0.935 . . . . 30.2 113.525 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.4 t -56.55 -43.18 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 112.195 0.443 . . . . 33.69 112.195 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -49.18 64.84 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.86 0.464 . . . . 30.08 111.891 -179.155 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -69.02 -47.48 65.35 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.98 -0.554 . . . . 42.5 111.695 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.67 -43.29 47.08 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.885 0.474 . . . . 33.3 111.662 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -47.23 73.76 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.535 0.734 . . . . 41.03 110.782 -179.506 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.62 -42.33 95.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.62 -0.718 . . . . 33.38 109.971 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ARG . . . . . 0.614 HH21 ' H2 ' ' A' ' 232' ' ' HOH . 49.6 tpt85 -59.17 -35.65 73.92 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.046 0.387 . . . . 39.44 112.046 -179.634 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -82.19 -6.74 59.43 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.687 0.995 . . . . 38.56 113.687 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 75.47 28.16 62.11 Favored Glycine 0 C--O 1.223 -0.588 0 N-CA-C 109.031 -1.628 . . . . 34.01 109.031 -178.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -104.3 4.36 33.56 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.619 0.723 . . . . 34.57 111.833 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -156.85 154.38 29.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.427 -0.806 . . . . 34.27 109.098 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -116.48 150.31 38.09 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 105.926 -1.879 . . . . 64.35 105.926 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.08 122.95 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 103.914 -2.625 . . . . 40.61 103.914 177.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -148.33 174.59 11.87 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.052 0.453 . . . . 35.91 109.969 -178.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 48.06 50.1 16.44 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.96 1.096 . . . . 37.02 113.96 178.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 20.3 t -83.53 93.71 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.535 -0.757 . . . . 43.74 109.053 -179.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -108.4 119.37 39.31 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 108.286 -1.005 . . . . 51.14 108.286 179.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.65 156.02 78.1 Favored Pre-proline 0 C--O 1.236 0.358 0 C-N-CA 119.224 -0.991 . . . . 67.99 109.037 178.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -81.29 14.51 23.35 Favored 'Cis proline' 0 C--N 1.347 0.5 0 N-CA-C 115.558 1.33 . . . . 40.99 115.558 0.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -86.05 67.43 9.98 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 109.227 -0.657 . . . . 39.43 109.227 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.6 p30 -147.61 24.37 1.1 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.684 -1.206 . . . . 53.59 113.463 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . 0.661 ' HG1' ' HZ2' ' A' ' 78' ' ' LYS . 98.4 m -49.37 -40.03 34.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 115.133 1.531 . . . . 39.4 115.133 -178.8 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -100.88 17.12 23.0 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 114.297 1.221 . . . . 39.02 114.297 -178.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -54.58 -48.43 72.1 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 116.382 1.993 . . . . 51.46 116.382 -178.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -64.89 -39.36 93.41 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 113.86 1.059 . . . . 64.86 113.86 -178.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HIS . . . . . 0.41 ' CE1' ' O ' ' A' ' 241' ' ' HOH . 83.6 t60 -60.75 -47.04 88.12 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.623 0.577 . . . . 49.25 110.165 178.367 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.99 -35.52 80.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.537 0.684 . . . . 35.16 110.944 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -68.02 -36.46 79.99 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.014 -1.075 . . . . 54.68 112.076 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -65.28 -34.7 78.96 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.913 -0.773 . . . . 60.07 108.913 179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 75.8 m -70.66 -41.98 71.39 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 111.871 0.323 . . . . 46.15 111.871 178.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.16 -39.19 91.82 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 116.453 -0.339 . . . . 43.9 110.937 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.13 96.21 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 123.763 0.664 . . . . 35.78 110.046 179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -66.12 -39.92 90.27 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.981 -0.554 . . . . 53.34 111.144 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.92 -44.48 89.35 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.908 -0.404 . . . . 37.48 109.908 178.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -63.12 -46.41 87.44 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.191 -1.04 . . . . 58.88 108.191 179.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -52.06 -43.32 63.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.196 1.398 . . . . 68.08 108.323 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -87.54 4.53 43.21 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.74 1.015 . . . . 40.04 113.74 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 51.91 42.2 30.03 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 123.734 0.814 . . . . 74.79 113.046 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 54.0 mt -81.51 134.34 35.51 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 116.36 1.985 . . . . 40.31 116.36 -178.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 37.45 -97.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 115.576 1.695 . . . . 46.63 115.576 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 9.6 mt -52.0 -35.73 18.98 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-N 116.638 -0.255 . . . . 44.88 110.525 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -93.99 5.99 49.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.67 1.359 . . . . 51.52 114.67 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 98.5 p . . . . . 0 C--O 1.253 1.243 0 CA-C-O 117.801 -1.095 . . . . 61.53 109.1 -179.544 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' ' CA' . . . . . 0.853 'CA ' ' O ' ' A' ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' THP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . 0.592 ' H1 ' ' HZ3' ' A' ' 70' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . 0.853 ' O ' 'CA ' ' A' ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.449 ' H1 ' ' HZ1' ' A' ' 49' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . 0.614 ' H2 ' HH21 ' A' ' 105' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.482 ' O ' ' N ' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . 0.41 ' O ' ' CE1' ' A' ' 124' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . 0.547 ' H2 ' ' HZ3' ' A' ' 71' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 239' ' ' HOH . 24.7 mt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 105.791 -1.929 . . . . 54.51 105.791 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -139.69 135.65 33.41 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.564 -0.902 . . . . 81.34 108.564 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -85.66 149.63 25.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.401 -0.52 . . . . 47.18 109.86 177.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -138.48 140.14 27.07 Favored Pre-proline 0 CA--C 1.507 -0.675 0 N-CA-C 107.319 -1.363 . . . . 51.89 107.319 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -66.78 152.31 80.77 Favored 'Trans proline' 0 CA--C 1.516 -0.397 0 C-N-CA 121.587 1.525 . . . . 40.06 113.397 -179.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.53 168.51 25.3 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 105.281 -2.118 . . . . 32.72 105.281 178.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.0 m -130.67 126.56 36.87 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.715 -0.846 . . . . 33.31 108.715 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' HB2' HD12 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -62.22 129.06 39.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.202 0.525 . . . . 36.61 111.445 -179.817 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.9 mt -105.73 -49.43 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 106.341 -1.725 . . . . 37.12 106.341 177.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HD3' ' CE ' ' A' ' 24' ' ' LYS . 59.6 tttp -165.25 126.31 1.97 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.365 0.876 . . . . 65.48 113.365 -177.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.32 128.17 33.94 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.733 -1.951 . . . . 39.17 105.733 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.0 mt -96.38 -51.59 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 111.959 0.355 . . . . 39.77 111.959 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -153.7 -166.08 2.3 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.88 -1.526 . . . . 40.28 106.88 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.71 -36.74 66.21 Favored Glycine 0 C--O 1.219 -0.833 0 N-CA-C 116.442 1.337 . . . . 29.01 116.442 -177.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 p30 -121.03 2.49 10.45 Favored 'General case' 0 C--O 1.248 0.976 0 N-CA-C 118.481 2.771 . . . . 30.58 118.481 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.0 m -130.02 134.48 47.44 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.424 0.453 . . . . 31.35 111.271 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' CME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' CE ' ' HD3' ' A' ' 16' ' ' LYS . 55.9 mtmt -103.45 132.19 49.92 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.013 -1.847 . . . . 79.86 106.013 178.261 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.0 mt -132.76 152.26 51.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.508 -0.769 . . . . 34.99 110.521 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.6 tpp -92.15 113.89 26.28 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 102.34 -3.207 . . . . 49.1 102.34 176.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 28' ' ' LYS . 57.4 t80 -124.73 121.91 35.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.137 -0.69 . . . . 44.76 109.137 -179.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 27' ' ' TYR . 6.6 mptt 59.72 39.71 20.65 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.553 0.692 . . . . 69.54 109.806 -178.877 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.7 27.93 73.14 Favored Glycine 0 C--O 1.223 -0.547 0 CA-C-N 115.414 -0.812 . . . . 50.91 113.492 -179.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -141.29 127.45 11.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 117.193 0.497 . . . . 81.0 110.723 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -76.12 135.72 17.38 Favored 'Trans proline' 0 C--O 1.239 0.562 0 C-N-CA 117.984 -0.878 . . . . 41.23 111.222 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 27.0 ptm -156.8 155.1 30.99 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.987 -0.551 . . . . 56.82 110.426 176.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.22 142.23 27.83 Favored 'General case' 0 C--O 1.243 0.737 0 C-N-CA 119.39 -0.924 . . . . 40.24 109.82 179.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -117.02 148.71 41.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.368 -1.287 . . . . 32.01 109.995 -179.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -126.35 128.87 47.75 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 104.244 -2.502 . . . . 32.84 104.244 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.01 131.49 46.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 30.67 111.772 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.77 148.3 46.44 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.001 -0.545 . . . . 33.33 111.902 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.6 mt 59.33 11.43 2.18 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 120.922 3.675 . . . . 39.91 120.922 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.41 168.11 18.92 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 C-N-CA 118.595 -1.242 . . . . 34.8 112.735 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -147.0 109.91 4.7 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 113.461 0.911 . . . . 39.97 113.461 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.8 p -86.85 154.45 55.57 Favored Pre-proline 0 C--O 1.249 1.062 0 N-CA-C 104.545 -2.391 . . . . 36.32 104.545 176.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -61.59 152.17 75.37 Favored 'Trans proline' 0 C--O 1.244 0.824 0 CA-C-O 122.499 0.958 . . . . 42.58 114.223 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -73.35 144.49 46.47 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 113.256 -1.793 . . . . 46.22 112.83 -178.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -137.58 -7.26 1.7 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.744 -0.662 . . . . 45.82 110.659 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -110.42 -45.21 3.58 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 116.135 1.902 . . . . 65.93 116.135 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 29.6 t-80 -72.59 120.4 80.44 Favored Pre-proline 0 CA--C 1.538 0.496 0 N-CA-C 117.17 2.285 . . . . 52.75 117.17 -176.57 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 46' ' ' HIS . 71.4 Cg_exo -57.7 -32.22 94.07 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.487 2.124 . . . . 55.47 113.162 -179.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -61.59 -25.1 67.12 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.87 -0.332 . . . . 86.27 111.513 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -112.41 -23.63 10.21 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.257 -0.577 . . . . 63.69 110.798 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.04 -171.0 43.2 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 108.775 -1.73 . . . . 60.11 108.775 -178.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.0 t -85.61 104.58 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 N-CA-C 105.222 -2.14 . . . . 52.82 105.222 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -75.96 153.48 36.57 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.262 0.554 . . . . 61.09 112.104 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . 0.741 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -57.05 127.36 31.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.62 -0.718 . . . . 77.73 110.604 -179.705 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 75.1 m-85 84.88 -3.86 0.94 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 114.606 1.335 . . . . 46.25 114.606 -179.578 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -56.9 -54.83 33.75 Favored Glycine 0 C--O 1.225 -0.443 0 N-CA-C 110.985 -0.846 . . . . 35.82 110.985 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.3 -39.98 72.6 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 123.946 3.097 . . . . 36.51 112.189 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 54' ' ' TYR . 29.1 mp0 -63.59 -42.51 98.26 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.85 0.719 . . . . 52.9 110.524 179.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.85 92.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.015 -0.735 . . . . 30.77 109.015 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.6 m -61.31 -44.57 96.98 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 119.615 -0.834 . . . . 38.62 111.458 179.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.71 97.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.648 0.611 . . . . 34.06 112.648 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -61.71 -51.19 69.41 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.333 -0.617 . . . . 38.33 109.333 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.0 m -60.18 -46.59 89.2 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.241 0.543 . . . . 32.35 112.413 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' A' ' 245' ' ' HOH . 58.4 tttm -55.75 -51.65 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.466 -0.788 . . . . 52.5 109.779 -179.565 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -46.52 84.37 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.403 0.62 . . . . 65.48 110.486 179.399 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.5 ttt -61.26 -47.69 84.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.281 0.845 . . . . 38.36 113.281 -178.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.3 m -78.37 -31.7 16.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 C-N-CA 118.231 -1.388 . . . . 39.46 114.052 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -74.45 -25.46 59.43 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 114.951 1.463 . . . . 47.91 114.951 -178.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -96.31 0.43 50.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 115.19 1.552 . . . . 49.67 115.19 -179.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.82 143.63 43.85 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.064 0.459 . . . . 40.16 111.336 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -82.5 -33.57 28.29 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.075 -2.195 . . . . 34.75 105.075 176.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -136.68 132.85 35.5 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 116.183 1.92 . . . . 43.45 116.183 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . 0.508 HD12 ' HB2' ' A' ' 14' ' ' LEU . 36.5 mt -117.72 137.76 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 N-CA-C 107.849 -1.167 . . . . 35.79 107.849 178.089 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -135.3 146.05 48.11 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.303 -0.999 . . . . 44.71 108.303 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.81 144.22 26.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 106.257 -1.757 . . . . 37.88 106.257 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -134.05 108.51 8.39 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.982 -0.747 . . . . 37.76 108.982 -178.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -75.56 155.12 36.34 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.992 -0.744 . . . . 34.51 108.992 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . 0.407 ' HB3' ' OD1' ' A' ' 118' ' ' ASN . 5.8 t0 -91.38 -166.97 1.68 Allowed 'General case' 0 C--O 1.245 0.819 0 N-CA-C 106.492 -1.67 . . . . 35.1 106.492 177.637 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -85.75 -8.23 58.28 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 117.906 2.558 . . . . 69.25 117.906 -177.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.24 -144.96 15.24 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.859 -0.686 . . . . 36.56 111.949 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.7 143.36 56.29 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.193 0.997 . . . . 49.8 112.467 179.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . 0.704 HH11 ' HG3' ' A' ' 81' ' ' ARG . 20.5 mtt85 -94.9 -7.14 40.95 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 116.145 1.906 . . . . 70.4 116.145 -177.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 71.3 p -141.98 155.42 45.44 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.271 -1.011 . . . . 37.0 108.271 178.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.3 p30 -96.28 -176.74 3.74 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 109.495 -0.558 . . . . 35.4 109.495 177.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . 0.538 ' HE2' ' CE2' ' A' ' 85' ' ' TYR . 17.0 pttm -60.13 -21.14 61.23 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 115.744 1.757 . . . . 49.35 115.744 -179.32 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' TYR . . . . . 0.538 ' CE2' ' HE2' ' A' ' 84' ' ' LYS . 87.9 m-85 -92.61 5.32 51.37 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 123.02 0.528 . . . . 39.42 110.677 178.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.04 17.93 79.22 Favored Glycine 0 C--O 1.238 0.392 0 N-CA-C 115.499 0.96 . . . . 31.97 115.499 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 82' ' ' THR . 80.2 mtm180 -87.84 139.5 30.46 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.079 0.44 . . . . 31.55 110.2 178.855 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -70.61 137.26 27.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 108.96 -1.656 . . . . 29.65 108.96 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.0 mt -106.4 110.27 22.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.69 -0.856 . . . . 31.72 108.69 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.93 173.12 15.21 Favored 'General case' 0 C--O 1.251 1.155 0 N-CA-C 115.181 1.548 . . . . 30.71 115.181 -178.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -100.26 125.74 46.48 Favored 'General case' 0 N--CA 1.45 -0.447 1 N-CA-C 98.4 -4.667 . . . . 32.53 98.4 174.524 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.2 mt -110.52 133.17 56.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.577 -0.527 . . . . 33.03 109.577 -178.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -114.01 136.45 52.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.938 -1.028 . . . . 34.06 111.107 -179.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.54 109.16 15.86 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 103.0 -2.963 . . . . 33.14 103.0 178.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 53.66 44.07 30.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.697 0.76 . . . . 41.26 111.664 -177.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.81 1.78 84.78 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 113.985 -1.461 . . . . 36.98 115.723 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -106.38 126.47 52.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.967 0.883 . . . . 72.29 108.984 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.6 ttm -71.31 114.43 9.37 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.525 0.935 . . . . 30.2 113.525 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.4 t -56.55 -43.18 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 112.195 0.443 . . . . 33.69 112.195 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -49.18 64.84 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.86 0.464 . . . . 30.08 111.891 -179.155 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . 0.424 ' HG3' ' NE2' ' A' ' 124' ' ' HIS . 16.5 tm-20 -69.02 -47.48 65.35 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.98 -0.554 . . . . 42.5 111.695 -179.837 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.67 -43.29 47.08 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.885 0.474 . . . . 33.3 111.662 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -47.23 73.76 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.535 0.734 . . . . 41.03 110.782 -179.506 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.62 -42.33 95.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.62 -0.718 . . . . 33.38 109.971 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -59.17 -35.65 73.92 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.046 0.387 . . . . 39.44 112.046 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -82.19 -6.74 59.43 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.687 0.995 . . . . 38.56 113.687 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 75.47 28.16 62.11 Favored Glycine 0 C--O 1.223 -0.588 0 N-CA-C 109.031 -1.628 . . . . 34.01 109.031 -178.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -104.3 4.36 33.56 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.619 0.723 . . . . 34.57 111.833 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -156.85 154.38 29.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.427 -0.806 . . . . 34.27 109.098 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -116.48 150.31 38.09 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 105.926 -1.879 . . . . 64.35 105.926 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.08 122.95 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 103.914 -2.625 . . . . 40.61 103.914 177.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -148.33 174.59 11.87 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.052 0.453 . . . . 35.91 109.969 -178.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 48.06 50.1 16.44 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.96 1.096 . . . . 37.02 113.96 178.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 20.3 t -83.53 93.71 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.535 -0.757 . . . . 43.74 109.053 -179.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -108.4 119.37 39.31 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 108.286 -1.005 . . . . 51.14 108.286 179.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.65 156.02 78.1 Favored Pre-proline 0 C--O 1.236 0.358 0 C-N-CA 119.224 -0.991 . . . . 67.99 109.037 178.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -81.29 14.51 23.35 Favored 'Cis proline' 0 C--N 1.347 0.5 0 N-CA-C 115.558 1.33 . . . . 40.99 115.558 0.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASN . . . . . 0.407 ' OD1' ' HB3' ' A' ' 77' ' ' ASP . 70.4 m-20 -86.05 67.43 9.98 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 109.227 -0.657 . . . . 39.43 109.227 -179.949 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.6 p30 -147.61 24.37 1.1 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.684 -1.206 . . . . 53.59 113.463 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 98.4 m -49.37 -40.03 34.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 115.133 1.531 . . . . 39.4 115.133 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -100.88 17.12 23.0 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 114.297 1.221 . . . . 39.02 114.297 -178.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -54.58 -48.43 72.1 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 116.382 1.993 . . . . 51.46 116.382 -178.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -64.89 -39.36 93.41 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 113.86 1.059 . . . . 64.86 113.86 -178.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HIS . . . . . 0.424 ' NE2' ' HG3' ' A' ' 101' ' ' GLU . 83.6 t60 -60.75 -47.04 88.12 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.623 0.577 . . . . 49.25 110.165 178.367 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.99 -35.52 80.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.537 0.684 . . . . 35.16 110.944 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -68.02 -36.46 79.99 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.014 -1.075 . . . . 54.68 112.076 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LYS . . . . . 0.634 ' HE2' ' O ' ' A' ' 241' ' ' HOH . 31.2 pttt -65.28 -34.7 78.96 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.913 -0.773 . . . . 60.07 108.913 179.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 75.8 m -70.66 -41.98 71.39 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 111.871 0.323 . . . . 46.15 111.871 178.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' GLU . . . . . 0.568 ' HG2' ' HD2' ' A' ' 133' ' ' LYS . 43.8 tt0 -62.16 -39.19 91.82 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 116.453 -0.339 . . . . 43.9 110.937 178.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 134' ' ' LYS . . . -62.72 -40.13 96.21 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 123.763 0.664 . . . . 35.78 110.046 179.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -66.12 -39.92 90.27 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.981 -0.554 . . . . 53.34 111.144 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.92 -44.48 89.35 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.908 -0.404 . . . . 37.48 109.908 178.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . 0.568 ' HD2' ' HG2' ' A' ' 129' ' ' GLU . 32.4 mtpt -63.12 -46.41 87.44 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.191 -1.04 . . . . 58.88 108.191 179.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 130' ' ' ALA . 3.0 ttpt -52.06 -43.32 63.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.196 1.398 . . . . 68.08 108.323 178.038 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -87.54 4.53 43.21 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.74 1.015 . . . . 40.04 113.74 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 133' ' ' LYS . 38.9 mmtm 51.91 42.2 30.03 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 123.734 0.814 . . . . 74.79 113.046 179.36 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 54.0 mt -81.51 134.34 35.51 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 116.36 1.985 . . . . 40.31 116.36 -178.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 37.45 -97.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 115.576 1.695 . . . . 46.63 115.576 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 9.6 mt -52.0 -35.73 18.98 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-N 116.638 -0.255 . . . . 44.88 110.525 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' TRP . . . . . 0.463 ' CD2' ' HG2' ' A' ' 133' ' ' LYS . 49.9 m95 -93.99 5.99 49.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.67 1.359 . . . . 51.52 114.67 -178.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 98.5 p . . . . . 0 C--O 1.253 1.243 0 CA-C-O 117.801 -1.095 . . . . 61.53 109.1 -179.544 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' ' CA' . . . . . 0.853 'CA ' ' O ' ' A' ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' THP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . 0.853 ' O ' 'CA ' ' A' ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 . . . . . 0.482 ' O ' ' N ' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . 0.634 ' O ' ' HE2' ' A' ' 127' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 245' ' ' HOH . . . . . 0.447 ' O ' ' HD2' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 239' ' ' HOH . 24.7 mt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 105.791 -1.929 . . . . 54.51 105.791 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -139.69 135.65 33.41 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.564 -0.902 . . . . 81.34 108.564 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -85.66 149.63 25.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.401 -0.52 . . . . 47.18 109.86 177.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -138.48 140.14 27.07 Favored Pre-proline 0 CA--C 1.507 -0.675 0 N-CA-C 107.319 -1.363 . . . . 51.89 107.319 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -66.78 152.31 80.77 Favored 'Trans proline' 0 CA--C 1.516 -0.397 0 C-N-CA 121.587 1.525 . . . . 40.06 113.397 -179.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.53 168.51 25.3 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 105.281 -2.118 . . . . 32.72 105.281 178.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.0 m -130.67 126.56 36.87 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.715 -0.846 . . . . 33.31 108.715 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' HB2' HD12 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -62.22 129.06 39.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.202 0.525 . . . . 36.61 111.445 -179.817 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.9 mt -105.73 -49.43 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 106.341 -1.725 . . . . 37.12 106.341 177.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HD3' ' CE ' ' A' ' 24' ' ' LYS . 59.6 tttp -165.25 126.31 1.97 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.365 0.876 . . . . 65.48 113.365 -177.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.32 128.17 33.94 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.733 -1.951 . . . . 39.17 105.733 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.0 mt -96.38 -51.59 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 111.959 0.355 . . . . 39.77 111.959 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -153.7 -166.08 2.3 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.88 -1.526 . . . . 40.28 106.88 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.71 -36.74 66.21 Favored Glycine 0 C--O 1.219 -0.833 0 N-CA-C 116.442 1.337 . . . . 29.01 116.442 -177.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 p30 -121.03 2.49 10.45 Favored 'General case' 0 C--O 1.248 0.976 0 N-CA-C 118.481 2.771 . . . . 30.58 118.481 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.0 m -130.02 134.48 47.44 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.424 0.453 . . . . 31.35 111.271 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' CME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' CE ' ' HD3' ' A' ' 16' ' ' LYS . 55.9 mtmt -103.45 132.19 49.92 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.013 -1.847 . . . . 79.86 106.013 178.261 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.0 mt -132.76 152.26 51.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.508 -0.769 . . . . 34.99 110.521 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.6 tpp -92.15 113.89 26.28 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 102.34 -3.207 . . . . 49.1 102.34 176.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 28' ' ' LYS . 57.4 t80 -124.73 121.91 35.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.137 -0.69 . . . . 44.76 109.137 -179.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 27' ' ' TYR . 6.6 mptt 59.72 39.71 20.65 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.553 0.692 . . . . 69.54 109.806 -178.877 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.7 27.93 73.14 Favored Glycine 0 C--O 1.223 -0.547 0 CA-C-N 115.414 -0.812 . . . . 50.91 113.492 -179.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -141.29 127.45 11.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 117.193 0.497 . . . . 81.0 110.723 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -76.12 135.72 17.38 Favored 'Trans proline' 0 C--O 1.239 0.562 0 C-N-CA 117.984 -0.878 . . . . 41.23 111.222 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 27.0 ptm -156.8 155.1 30.99 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.987 -0.551 . . . . 56.82 110.426 176.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.22 142.23 27.83 Favored 'General case' 0 C--O 1.243 0.737 0 C-N-CA 119.39 -0.924 . . . . 40.24 109.82 179.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -117.02 148.71 41.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.368 -1.287 . . . . 32.01 109.995 -179.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -126.35 128.87 47.75 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 104.244 -2.502 . . . . 32.84 104.244 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.01 131.49 46.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 30.67 111.772 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.77 148.3 46.44 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.001 -0.545 . . . . 33.33 111.902 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.6 mt 59.33 11.43 2.18 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 120.922 3.675 . . . . 39.91 120.922 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.41 168.11 18.92 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 C-N-CA 118.595 -1.242 . . . . 34.8 112.735 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -147.0 109.91 4.7 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 113.461 0.911 . . . . 39.97 113.461 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.8 p -86.85 154.45 55.57 Favored Pre-proline 0 C--O 1.249 1.062 0 N-CA-C 104.545 -2.391 . . . . 36.32 104.545 176.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -61.59 152.17 75.37 Favored 'Trans proline' 0 C--O 1.244 0.824 0 CA-C-O 122.499 0.958 . . . . 42.58 114.223 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -73.35 144.49 46.47 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 113.256 -1.793 . . . . 46.22 112.83 -178.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -137.58 -7.26 1.7 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.744 -0.662 . . . . 45.82 110.659 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -110.42 -45.21 3.58 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 116.135 1.902 . . . . 65.93 116.135 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 29.6 t-80 -72.59 120.4 80.44 Favored Pre-proline 0 CA--C 1.538 0.496 0 N-CA-C 117.17 2.285 . . . . 52.75 117.17 -176.57 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 46' ' ' HIS . 71.4 Cg_exo -57.7 -32.22 94.07 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.487 2.124 . . . . 55.47 113.162 -179.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -61.59 -25.1 67.12 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.87 -0.332 . . . . 86.27 111.513 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -112.41 -23.63 10.21 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.257 -0.577 . . . . 63.69 110.798 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.04 -171.0 43.2 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 108.775 -1.73 . . . . 60.11 108.775 -178.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.0 t -85.61 104.58 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 N-CA-C 105.222 -2.14 . . . . 52.82 105.222 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -75.96 153.48 36.57 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.262 0.554 . . . . 61.09 112.104 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.741 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -57.05 127.36 31.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.62 -0.718 . . . . 77.73 110.604 -179.705 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 75.1 m-85 84.88 -3.86 0.94 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 114.606 1.335 . . . . 46.25 114.606 -179.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -56.9 -54.83 33.75 Favored Glycine 0 C--O 1.225 -0.443 0 N-CA-C 110.985 -0.846 . . . . 35.82 110.985 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.3 -39.98 72.6 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 123.946 3.097 . . . . 36.51 112.189 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 54' ' ' TYR . 29.1 mp0 -63.59 -42.51 98.26 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.85 0.719 . . . . 52.9 110.524 179.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.85 92.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.015 -0.735 . . . . 30.77 109.015 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.6 m -61.31 -44.57 96.98 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 119.615 -0.834 . . . . 38.62 111.458 179.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.71 97.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.648 0.611 . . . . 34.06 112.648 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -61.71 -51.19 69.41 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.333 -0.617 . . . . 38.33 109.333 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.0 m -60.18 -46.59 89.2 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.241 0.543 . . . . 32.35 112.413 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' A' ' 245' ' ' HOH . 58.4 tttm -55.75 -51.65 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.466 -0.788 . . . . 52.5 109.779 -179.565 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -46.52 84.37 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.403 0.62 . . . . 65.48 110.486 179.399 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.5 ttt -61.26 -47.69 84.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.281 0.845 . . . . 38.36 113.281 -178.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.3 m -78.37 -31.7 16.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 C-N-CA 118.231 -1.388 . . . . 39.46 114.052 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -74.45 -25.46 59.43 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 114.951 1.463 . . . . 47.91 114.951 -178.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.31 0.43 50.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 115.19 1.552 . . . . 49.67 115.19 -179.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.82 143.63 43.85 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.064 0.459 . . . . 40.16 111.336 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -82.5 -33.57 28.29 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.075 -2.195 . . . . 34.75 105.075 176.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -136.68 132.85 35.5 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 116.183 1.92 . . . . 43.45 116.183 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.508 HD12 ' HB2' ' A' ' 14' ' ' LEU . 36.5 mt -117.72 137.76 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 N-CA-C 107.849 -1.167 . . . . 35.79 107.849 178.089 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -135.3 146.05 48.11 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.303 -0.999 . . . . 44.71 108.303 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.81 144.22 26.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 106.257 -1.757 . . . . 37.88 106.257 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -134.05 108.51 8.39 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.982 -0.747 . . . . 37.76 108.982 -178.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -75.56 155.12 36.34 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.992 -0.744 . . . . 34.51 108.992 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.407 ' HB3' ' OD1' ' A' ' 118' ' ' ASN . 5.8 t0 -91.38 -166.97 1.68 Allowed 'General case' 0 C--O 1.245 0.819 0 N-CA-C 106.492 -1.67 . . . . 35.1 106.492 177.637 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -85.75 -8.23 58.28 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 117.906 2.558 . . . . 69.25 117.906 -177.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.24 -144.96 15.24 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.859 -0.686 . . . . 36.56 111.949 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.7 143.36 56.29 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.193 0.997 . . . . 49.8 112.467 179.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.704 HH11 ' HG3' ' A' ' 81' ' ' ARG . 20.5 mtt85 -94.9 -7.14 40.95 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 116.145 1.906 . . . . 70.4 116.145 -177.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 71.3 p -141.98 155.42 45.44 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.271 -1.011 . . . . 37.0 108.271 178.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.3 p30 -96.28 -176.74 3.74 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 109.495 -0.558 . . . . 35.4 109.495 177.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.538 ' HE2' ' CE2' ' A' ' 85' ' ' TYR . 17.0 pttm -60.13 -21.14 61.23 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 115.744 1.757 . . . . 49.35 115.744 -179.32 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.538 ' CE2' ' HE2' ' A' ' 84' ' ' LYS . 87.9 m-85 -92.61 5.32 51.37 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 123.02 0.528 . . . . 39.42 110.677 178.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.04 17.93 79.22 Favored Glycine 0 C--O 1.238 0.392 0 N-CA-C 115.499 0.96 . . . . 31.97 115.499 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 82' ' ' THR . 80.2 mtm180 -87.84 139.5 30.46 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.079 0.44 . . . . 31.55 110.2 178.855 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -70.61 137.26 27.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 108.96 -1.656 . . . . 29.65 108.96 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.0 mt -106.4 110.27 22.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.69 -0.856 . . . . 31.72 108.69 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.93 173.12 15.21 Favored 'General case' 0 C--O 1.251 1.155 0 N-CA-C 115.181 1.548 . . . . 30.71 115.181 -178.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -100.26 125.74 46.48 Favored 'General case' 0 N--CA 1.45 -0.447 1 N-CA-C 98.4 -4.667 . . . . 32.53 98.4 174.524 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.2 mt -110.52 133.17 56.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.577 -0.527 . . . . 33.03 109.577 -178.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -114.01 136.45 52.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.938 -1.028 . . . . 34.06 111.107 -179.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.54 109.16 15.86 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 103.0 -2.963 . . . . 33.14 103.0 178.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 53.66 44.07 30.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.697 0.76 . . . . 41.26 111.664 -177.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.81 1.78 84.78 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 113.985 -1.461 . . . . 36.98 115.723 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -106.38 126.47 52.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.967 0.883 . . . . 72.29 108.984 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.6 ttm -71.31 114.43 9.37 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.525 0.935 . . . . 30.2 113.525 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.4 t -56.55 -43.18 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 112.195 0.443 . . . . 33.69 112.195 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -49.18 64.84 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.86 0.464 . . . . 30.08 111.891 -179.155 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.424 ' HG3' ' NE2' ' A' ' 124' ' ' HIS . 16.5 tm-20 -69.02 -47.48 65.35 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 115.98 -0.554 . . . . 42.5 111.695 -179.837 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.67 -43.29 47.08 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.885 0.474 . . . . 33.3 111.662 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -47.23 73.76 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.535 0.734 . . . . 41.03 110.782 -179.506 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.62 -42.33 95.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.62 -0.718 . . . . 33.38 109.971 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -59.17 -35.65 73.92 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.046 0.387 . . . . 39.44 112.046 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -82.19 -6.74 59.43 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.687 0.995 . . . . 38.56 113.687 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 75.47 28.16 62.11 Favored Glycine 0 C--O 1.223 -0.588 0 N-CA-C 109.031 -1.628 . . . . 34.01 109.031 -178.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -104.3 4.36 33.56 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.619 0.723 . . . . 34.57 111.833 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -156.85 154.38 29.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.427 -0.806 . . . . 34.27 109.098 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -116.48 150.31 38.09 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 105.926 -1.879 . . . . 64.35 105.926 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.08 122.95 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 103.914 -2.625 . . . . 40.61 103.914 177.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -148.33 174.59 11.87 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.052 0.453 . . . . 35.91 109.969 -178.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 48.06 50.1 16.44 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.96 1.096 . . . . 37.02 113.96 178.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 20.3 t -83.53 93.71 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.535 -0.757 . . . . 43.74 109.053 -179.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -108.4 119.37 39.31 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 108.286 -1.005 . . . . 51.14 108.286 179.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.65 156.02 78.1 Favored Pre-proline 0 C--O 1.236 0.358 0 C-N-CA 119.224 -0.991 . . . . 67.99 109.037 178.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -81.29 14.51 23.35 Favored 'Cis proline' 0 C--N 1.347 0.5 0 N-CA-C 115.558 1.33 . . . . 40.99 115.558 0.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.407 ' OD1' ' HB3' ' A' ' 77' ' ' ASP . 70.4 m-20 -86.05 67.43 9.98 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 109.227 -0.657 . . . . 39.43 109.227 -179.949 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.6 p30 -147.61 24.37 1.1 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.684 -1.206 . . . . 53.59 113.463 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 98.4 m -49.37 -40.03 34.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 115.133 1.531 . . . . 39.4 115.133 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -100.88 17.12 23.0 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 114.297 1.221 . . . . 39.02 114.297 -178.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -54.58 -48.43 72.1 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 116.382 1.993 . . . . 51.46 116.382 -178.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -64.89 -39.36 93.41 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 113.86 1.059 . . . . 64.86 113.86 -178.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.424 ' NE2' ' HG3' ' A' ' 101' ' ' GLU . 83.6 t60 -60.75 -47.04 88.12 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.623 0.577 . . . . 49.25 110.165 178.367 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.99 -35.52 80.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.537 0.684 . . . . 35.16 110.944 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -68.02 -36.46 79.99 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.014 -1.075 . . . . 54.68 112.076 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.634 ' HE2' ' O ' ' A' ' 241' ' ' HOH . 31.2 pttt -65.28 -34.7 78.96 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.913 -0.773 . . . . 60.07 108.913 179.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 75.8 m -70.66 -41.98 71.39 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 111.871 0.323 . . . . 46.15 111.871 178.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.568 ' HG2' ' HD2' ' A' ' 133' ' ' LYS . 43.8 tt0 -62.16 -39.19 91.82 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 116.453 -0.339 . . . . 43.9 110.937 178.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 134' ' ' LYS . . . -62.72 -40.13 96.21 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 123.763 0.664 . . . . 35.78 110.046 179.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -66.12 -39.92 90.27 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.981 -0.554 . . . . 53.34 111.144 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.92 -44.48 89.35 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.908 -0.404 . . . . 37.48 109.908 178.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.568 ' HD2' ' HG2' ' A' ' 129' ' ' GLU . 32.4 mtpt -63.12 -46.41 87.44 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.191 -1.04 . . . . 58.88 108.191 179.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 130' ' ' ALA . 3.0 ttpt -52.06 -43.32 63.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.196 1.398 . . . . 68.08 108.323 178.038 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -87.54 4.53 43.21 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.74 1.015 . . . . 40.04 113.74 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 133' ' ' LYS . 38.9 mmtm 51.91 42.2 30.03 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 123.734 0.814 . . . . 74.79 113.046 179.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 54.0 mt -81.51 134.34 35.51 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 116.36 1.985 . . . . 40.31 116.36 -178.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 37.45 -97.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 115.576 1.695 . . . . 46.63 115.576 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 9.6 mt -52.0 -35.73 18.98 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-N 116.638 -0.255 . . . . 44.88 110.525 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.463 ' CD2' ' HG2' ' A' ' 133' ' ' LYS . 49.9 m95 -93.99 5.99 49.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.67 1.359 . . . . 51.52 114.67 -178.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 98.5 p . . . . . 0 C--O 1.253 1.243 0 CA-C-O 117.801 -1.095 . . . . 61.53 109.1 -179.544 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' ' CA' . . . . . 0.853 'CA ' ' O ' ' A' ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' THP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . 0.853 ' O ' 'CA ' ' A' ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 . . . . . 0.482 ' O ' ' N ' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . 0.634 ' O ' ' HE2' ' A' ' 127' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 245' ' ' HOH . . . . . 0.447 ' O ' ' HD2' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_