data_6vlq_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6vlq _Structure_validation_residue.Date_analyzed 2020-10-16 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 ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 mm . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 119.937 -0.078 . . . . 73.4 111.016 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.24 -34.54 23.38 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.71 -0.796 . . . . 72.86 110.308 170.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.6 p -59.51 -44.09 93.22 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.855 -0.338 . . . . 74.3 111.196 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.68 -38.41 86.75 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.391 -0.924 . . . . 51.47 110.949 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.29 95.59 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.765 -0.374 . . . . 34.79 111.647 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -63.49 -37.25 86.58 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 118.859 -1.137 . . . . 47.68 110.737 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -60.0 -48.86 79.97 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.512 0.196 . . . . 53.61 110.892 174.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.3 80.5 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.468 -0.493 . . . . 35.77 110.997 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.3 -42.61 91.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.16 -0.616 . . . . 34.7 110.982 -179.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -54.13 -48.23 71.03 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.808 -0.558 . . . . 45.85 111.182 173.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -64.09 -42.92 96.75 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.86 -0.336 . . . . 59.6 111.125 -177.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -61.27 -46.68 89.34 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.029 0.442 . . . . 56.48 111.094 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.48 -48.47 81.5 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.235 -0.586 . . . . 58.12 110.407 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . . . -57.89 -34.3 69.65 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.642 -0.254 . . . . 69.22 111.482 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -89.03 -32.94 17.34 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 113.299 0.852 . . . . 74.21 113.299 -171.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -118.68 17.99 13.48 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.999 0.74 . . . . 83.91 112.999 -175.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . . . 51.8 56.72 7.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.114 0.959 . . . . 74.64 110.697 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.7 m -108.99 177.07 4.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.668 -1.151 . . . . 78.0 109.106 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . . . -141.77 40.44 1.69 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.543 -0.753 . . . . 56.41 109.95 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.74 133.88 56.09 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.964 -0.754 . . . . 45.73 108.964 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -105.62 111.48 24.19 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.089 -1.078 . . . . 51.42 108.089 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -61.41 133.05 55.36 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 123.617 0.573 . . . . 41.13 109.752 -174.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -105.71 -64.68 1.12 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.611 -0.268 . . . . 82.45 110.728 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -164.6 151.45 11.12 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.685 -0.857 . . . . 76.9 108.685 -174.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.73 137.84 21.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 107.73 -1.211 . . . . 41.16 107.73 168.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -113.49 -20.36 6.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 112.813 0.672 . . . . 47.24 112.813 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -165.03 140.09 5.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 119.301 0.955 . . . . 59.13 108.47 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.2 m -133.78 133.22 41.42 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.345 -0.983 . . . . 60.28 108.345 178.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . . . -123.68 150.14 44.63 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 107.233 -1.395 . . . . 61.5 107.233 166.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -143.92 143.73 31.39 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 117.027 -1.869 . . . . 69.89 110.483 179.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -128.79 128.57 44.22 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.912 -1.144 . . . . 87.71 107.912 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -81.96 130.16 36.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 107.71 -1.219 . . . . 68.39 107.71 169.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.7 t -125.69 140.15 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.96 -0.756 . . . . 60.17 108.96 -173.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.2 p -128.89 178.16 6.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.08 -1.081 . . . . 57.63 108.08 165.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.06 -176.56 32.69 Favored Glycine 0 C--N 1.316 -0.529 0 N-CA-C 109.34 -1.504 . . . . 46.48 109.34 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.5 m -124.75 131.85 53.42 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.9 -0.65 . . . . 46.78 110.119 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mm -90.73 130.21 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 N-CA-C 107.343 -1.354 . . . . 66.63 107.343 169.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -109.42 124.21 50.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.183 -1.044 . . . . 56.51 108.183 170.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 mm -102.11 101.32 11.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 105.865 -1.902 . . . . 57.45 105.865 170.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 71.8 mt -103.38 117.26 48.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 124.267 1.027 . . . . 39.35 110.024 -173.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.0 m -92.81 124.43 36.8 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.825 -0.805 . . . . 40.14 108.825 171.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 pp -141.34 152.05 44.09 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.98 -0.688 . . . . 39.02 110.638 -172.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -92.77 137.5 32.31 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.232 -1.025 . . . . 66.32 108.232 170.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.12 151.62 38.77 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.516 -1.29 . . . . 45.58 107.516 171.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.7 t -98.21 124.57 51.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 108.277 -1.008 . . . . 45.62 108.277 -175.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -114.46 102.17 9.83 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.988 -1.115 . . . . 67.46 107.988 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.6 45.97 30.16 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.838 -0.696 . . . . 55.39 113.239 -177.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.71 -22.69 34.38 Favored Glycine 0 N--CA 1.437 -1.28 0 CA-C-O 118.985 -0.897 . . . . 61.01 115.327 174.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . . . -93.1 118.22 30.96 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.661 1.231 . . . . 67.08 109.613 177.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -73.13 120.07 18.24 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.859 -0.793 . . . . 57.56 108.859 175.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -123.54 171.71 9.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.491 0.662 . . . . 59.11 109.712 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.4 t -122.01 128.43 75.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 108.728 -0.842 . . . . 42.96 108.728 -172.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -125.91 154.91 42.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.063 0.459 . . . . 43.92 110.214 -173.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -118.79 122.96 43.61 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.697 -0.853 . . . . 58.7 108.697 172.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -116.95 134.29 54.93 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 123.221 0.608 . . . . 39.35 109.595 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -108.09 114.76 28.9 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 106.888 -1.523 . . . . 65.93 106.888 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.0 t -115.34 126.46 72.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 108.443 -0.947 . . . . 38.86 108.443 -178.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -101.42 127.63 47.98 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.888 -1.153 . . . . 57.53 107.888 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -126.41 130.49 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.386 -0.598 . . . . 62.54 109.386 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -121.5 84.84 42.55 Favored Pre-proline 0 C--O 1.241 0.639 0 N-CA-C 105.864 -1.902 . . . . 48.22 105.864 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.58 -22.57 32.72 Favored 'Trans proline' 0 CA--C 1.511 -0.627 0 CA-C-O 119.196 -0.418 . . . . 50.1 113.057 -169.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -68.91 -9.48 52.06 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.367 0.506 . . . . 63.2 112.367 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.2 ptm -130.15 17.08 5.57 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 122.864 0.465 . . . . 53.35 110.854 172.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.0 m120 56.05 51.47 11.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.827 0.822 . . . . 85.52 111.755 173.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -134.48 142.86 47.19 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.216 -0.902 . . . . 50.05 110.113 -169.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -152.06 160.79 43.36 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.636 -0.876 . . . . 45.98 108.636 168.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -159.28 150.55 20.08 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.595 -0.891 . . . . 44.94 108.595 -179.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.9 tp -86.35 119.82 27.03 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 107.881 -1.155 . . . . 40.48 107.881 178.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -95.21 -43.86 7.88 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.612 -0.835 . . . . 79.04 112.088 -177.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -138.1 151.85 48.19 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.797 -0.816 . . . . 98.37 108.797 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -149.07 118.22 6.79 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.557 -1.275 . . . . 43.29 107.557 173.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -140.03 144.2 36.78 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.508 0.505 . . . . 60.37 110.263 -173.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.26 131.67 42.23 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.785 -0.643 . . . . 58.56 110.221 171.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.8 mt -89.98 -49.57 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.743 -0.383 . . . . 66.5 111.37 170.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.11 -163.4 37.12 Favored Glycine 0 C--O 1.224 -0.514 0 N-CA-C 110.101 -1.2 . . . . 56.21 110.101 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -81.76 147.99 29.15 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 118.842 -1.143 . . . . 73.3 110.555 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.41 153.83 76.53 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.296 -0.865 . . . . 49.1 109.256 169.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -63.5 149.69 90.41 Favored 'Trans proline' 0 CA--C 1.517 -0.361 0 CA-C-O 121.581 0.575 . . . . 59.21 111.207 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.399 -0.819 . . . . 84.61 110.017 178.851 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 mm . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 119.937 -0.078 . . . . 73.4 111.016 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.24 -34.54 23.38 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.71 -0.796 . . . . 72.86 110.308 170.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.6 p -59.51 -44.09 93.22 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.855 -0.338 . . . . 74.3 111.196 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.68 -38.41 86.75 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.391 -0.924 . . . . 51.47 110.949 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.29 95.59 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.765 -0.374 . . . . 34.79 111.647 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -63.49 -37.25 86.58 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 118.859 -1.137 . . . . 47.68 110.737 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -60.0 -48.86 79.97 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.512 0.196 . . . . 53.61 110.892 174.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.3 80.5 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.468 -0.493 . . . . 35.77 110.997 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.3 -42.61 91.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.16 -0.616 . . . . 34.7 110.982 -179.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -54.13 -48.23 71.03 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.808 -0.558 . . . . 45.85 111.182 173.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -64.09 -42.92 96.75 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.86 -0.336 . . . . 59.6 111.125 -177.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -61.27 -46.68 89.34 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.029 0.442 . . . . 56.48 111.094 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.48 -48.47 81.5 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.235 -0.586 . . . . 58.12 110.407 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . . . -57.89 -34.3 69.65 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.642 -0.254 . . . . 69.22 111.482 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -89.03 -32.94 17.34 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 113.299 0.852 . . . . 74.21 113.299 -171.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -118.68 17.99 13.48 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.999 0.74 . . . . 83.91 112.999 -175.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . . . 51.8 56.72 7.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.114 0.959 . . . . 74.64 110.697 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.7 m -108.99 177.07 4.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.668 -1.151 . . . . 78.0 109.106 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . . . -141.77 40.44 1.69 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.543 -0.753 . . . . 56.41 109.95 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.74 133.88 56.09 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.964 -0.754 . . . . 45.73 108.964 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -105.62 111.48 24.19 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.089 -1.078 . . . . 51.42 108.089 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -61.41 133.05 55.36 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 123.617 0.573 . . . . 41.13 109.752 -174.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -105.71 -64.68 1.12 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.611 -0.268 . . . . 82.45 110.728 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -164.6 151.45 11.12 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.685 -0.857 . . . . 76.9 108.685 -174.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.73 137.84 21.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 107.73 -1.211 . . . . 41.16 107.73 168.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -113.49 -20.36 6.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 112.813 0.672 . . . . 47.24 112.813 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -165.03 140.09 5.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 119.301 0.955 . . . . 59.13 108.47 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.2 m -133.78 133.22 41.42 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.345 -0.983 . . . . 60.28 108.345 178.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . . . -123.68 150.14 44.63 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 107.233 -1.395 . . . . 61.5 107.233 166.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -143.92 143.73 31.39 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 117.027 -1.869 . . . . 69.89 110.483 179.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -128.79 128.57 44.22 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.912 -1.144 . . . . 87.71 107.912 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -81.96 130.16 36.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 107.71 -1.219 . . . . 68.39 107.71 169.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.7 t -125.69 140.15 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.96 -0.756 . . . . 60.17 108.96 -173.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.2 p -128.89 178.16 6.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.08 -1.081 . . . . 57.63 108.08 165.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.06 -176.56 32.69 Favored Glycine 0 C--N 1.316 -0.529 0 N-CA-C 109.34 -1.504 . . . . 46.48 109.34 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.5 m -124.75 131.85 53.42 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.9 -0.65 . . . . 46.78 110.119 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . 0.529 HD12 ' HE3' ' A' ' 74' ' ' LYS . 2.0 mm -90.73 130.21 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 N-CA-C 107.343 -1.354 . . . . 66.63 107.343 169.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -109.42 124.21 50.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.183 -1.044 . . . . 56.51 108.183 170.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 mm -102.11 101.32 11.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 105.865 -1.902 . . . . 57.45 105.865 170.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 71.8 mt -103.38 117.26 48.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 124.267 1.027 . . . . 39.35 110.024 -173.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.0 m -92.81 124.43 36.8 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.825 -0.805 . . . . 40.14 108.825 171.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 pp -141.34 152.05 44.09 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.98 -0.688 . . . . 39.02 110.638 -172.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' OE2' ' HD3' ' A' ' 68' ' ' LYS . 89.9 mt-10 -92.77 137.5 32.31 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.232 -1.025 . . . . 66.32 108.232 170.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.12 151.62 38.77 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.516 -1.29 . . . . 45.58 107.516 171.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.7 t -98.21 124.57 51.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 108.277 -1.008 . . . . 45.62 108.277 -175.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -114.46 102.17 9.83 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.988 -1.115 . . . . 67.46 107.988 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.6 45.97 30.16 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.838 -0.696 . . . . 55.39 113.239 -177.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.71 -22.69 34.38 Favored Glycine 0 N--CA 1.437 -1.28 0 CA-C-O 118.985 -0.897 . . . . 61.01 115.327 174.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . . . -93.1 118.22 30.96 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.661 1.231 . . . . 67.08 109.613 177.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HD3' ' OE2' ' A' ' 61' ' ' GLU . 26.6 ttmt -73.13 120.07 18.24 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.859 -0.793 . . . . 57.56 108.859 175.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -123.54 171.71 9.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.491 0.662 . . . . 59.11 109.712 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.4 t -122.01 128.43 75.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 108.728 -0.842 . . . . 42.96 108.728 -172.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -125.91 154.91 42.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.063 0.459 . . . . 43.92 110.214 -173.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -118.79 122.96 43.61 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.697 -0.853 . . . . 58.7 108.697 172.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -116.95 134.29 54.93 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 123.221 0.608 . . . . 39.35 109.595 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LYS . . . . . 0.529 ' HE3' HD12 ' A' ' 55' ' ' ILE . 71.7 tttt -108.09 114.76 28.9 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 106.888 -1.523 . . . . 65.93 106.888 178.781 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.0 t -115.34 126.46 72.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 108.443 -0.947 . . . . 38.86 108.443 -178.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -101.42 127.63 47.98 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.888 -1.153 . . . . 57.53 107.888 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -126.41 130.49 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.386 -0.598 . . . . 62.54 109.386 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -121.5 84.84 42.55 Favored Pre-proline 0 C--O 1.241 0.639 0 N-CA-C 105.864 -1.902 . . . . 48.22 105.864 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.58 -22.57 32.72 Favored 'Trans proline' 0 CA--C 1.511 -0.627 0 CA-C-O 119.196 -0.418 . . . . 50.1 113.057 -169.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -68.91 -9.48 52.06 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.367 0.506 . . . . 63.2 112.367 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.2 ptm -130.15 17.08 5.57 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 122.864 0.465 . . . . 53.35 110.854 172.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.0 m120 56.05 51.47 11.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.827 0.822 . . . . 85.52 111.755 173.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -134.48 142.86 47.19 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.216 -0.902 . . . . 50.05 110.113 -169.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -152.06 160.79 43.36 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.636 -0.876 . . . . 45.98 108.636 168.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -159.28 150.55 20.08 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.595 -0.891 . . . . 44.94 108.595 -179.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.9 tp -86.35 119.82 27.03 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 107.881 -1.155 . . . . 40.48 107.881 178.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -95.21 -43.86 7.88 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.612 -0.835 . . . . 79.04 112.088 -177.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -138.1 151.85 48.19 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.797 -0.816 . . . . 98.37 108.797 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -149.07 118.22 6.79 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.557 -1.275 . . . . 43.29 107.557 173.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -140.03 144.2 36.78 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.508 0.505 . . . . 60.37 110.263 -173.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.26 131.67 42.23 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.785 -0.643 . . . . 58.56 110.221 171.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.8 mt -89.98 -49.57 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.743 -0.383 . . . . 66.5 111.37 170.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.11 -163.4 37.12 Favored Glycine 0 C--O 1.224 -0.514 0 N-CA-C 110.101 -1.2 . . . . 56.21 110.101 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -81.76 147.99 29.15 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 118.842 -1.143 . . . . 73.3 110.555 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.41 153.83 76.53 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.296 -0.865 . . . . 49.1 109.256 169.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -63.5 149.69 90.41 Favored 'Trans proline' 0 CA--C 1.517 -0.361 0 CA-C-O 121.581 0.575 . . . . 59.21 111.207 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.399 -0.819 . . . . 84.61 110.017 178.851 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 mm . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 119.937 -0.078 . . . . 73.4 111.016 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.24 -34.54 23.38 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.71 -0.796 . . . . 72.86 110.308 170.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.6 p -59.51 -44.09 93.22 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.855 -0.338 . . . . 74.3 111.196 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.68 -38.41 86.75 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.391 -0.924 . . . . 51.47 110.949 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.29 95.59 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.765 -0.374 . . . . 34.79 111.647 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -63.49 -37.25 86.58 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 118.859 -1.137 . . . . 47.68 110.737 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -60.0 -48.86 79.97 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.512 0.196 . . . . 53.61 110.892 174.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.3 80.5 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.468 -0.493 . . . . 35.77 110.997 -179.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.3 -42.61 91.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.16 -0.616 . . . . 34.7 110.982 -179.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -54.13 -48.23 71.03 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.808 -0.558 . . . . 45.85 111.182 173.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -64.09 -42.92 96.75 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.86 -0.336 . . . . 59.6 111.125 -177.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -61.27 -46.68 89.34 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.029 0.442 . . . . 56.48 111.094 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.48 -48.47 81.5 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.235 -0.586 . . . . 58.12 110.407 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . . . -57.89 -34.3 69.65 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.642 -0.254 . . . . 69.22 111.482 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -89.03 -32.94 17.34 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 113.299 0.852 . . . . 74.21 113.299 -171.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -118.68 17.99 13.48 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.999 0.74 . . . . 83.91 112.999 -175.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . . . 51.8 56.72 7.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.114 0.959 . . . . 74.64 110.697 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.7 m -108.99 177.07 4.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 114.668 -1.151 . . . . 78.0 109.106 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . . . -141.77 40.44 1.69 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.543 -0.753 . . . . 56.41 109.95 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.74 133.88 56.09 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.964 -0.754 . . . . 45.73 108.964 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -105.62 111.48 24.19 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.089 -1.078 . . . . 51.42 108.089 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -61.41 133.05 55.36 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 123.617 0.573 . . . . 41.13 109.752 -174.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -105.71 -64.68 1.12 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.611 -0.268 . . . . 82.45 110.728 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -164.6 151.45 11.12 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.685 -0.857 . . . . 76.9 108.685 -174.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.73 137.84 21.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 107.73 -1.211 . . . . 41.16 107.73 168.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -113.49 -20.36 6.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 112.813 0.672 . . . . 47.24 112.813 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -165.03 140.09 5.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 119.301 0.955 . . . . 59.13 108.47 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.2 m -133.78 133.22 41.42 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.345 -0.983 . . . . 60.28 108.345 178.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . . . -123.68 150.14 44.63 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 107.233 -1.395 . . . . 61.5 107.233 166.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -143.92 143.73 31.39 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 117.027 -1.869 . . . . 69.89 110.483 179.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -128.79 128.57 44.22 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.912 -1.144 . . . . 87.71 107.912 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -81.96 130.16 36.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 107.71 -1.219 . . . . 68.39 107.71 169.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.7 t -125.69 140.15 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.96 -0.756 . . . . 60.17 108.96 -173.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.2 p -128.89 178.16 6.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.08 -1.081 . . . . 57.63 108.08 165.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.06 -176.56 32.69 Favored Glycine 0 C--N 1.316 -0.529 0 N-CA-C 109.34 -1.504 . . . . 46.48 109.34 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.5 m -124.75 131.85 53.42 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.9 -0.65 . . . . 46.78 110.119 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.529 HD12 ' HE3' ' A' ' 74' ' ' LYS . 2.0 mm -90.73 130.21 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 N-CA-C 107.343 -1.354 . . . . 66.63 107.343 169.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -109.42 124.21 50.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.183 -1.044 . . . . 56.51 108.183 170.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.7 mm -102.11 101.32 11.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 105.865 -1.902 . . . . 57.45 105.865 170.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 71.8 mt -103.38 117.26 48.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 124.267 1.027 . . . . 39.35 110.024 -173.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.0 m -92.81 124.43 36.8 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.825 -0.805 . . . . 40.14 108.825 171.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 pp -141.34 152.05 44.09 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.98 -0.688 . . . . 39.02 110.638 -172.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' OE2' ' HD3' ' A' ' 68' ' ' LYS . 89.9 mt-10 -92.77 137.5 32.31 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.232 -1.025 . . . . 66.32 108.232 170.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.12 151.62 38.77 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.516 -1.29 . . . . 45.58 107.516 171.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.7 t -98.21 124.57 51.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 108.277 -1.008 . . . . 45.62 108.277 -175.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -114.46 102.17 9.83 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.988 -1.115 . . . . 67.46 107.988 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.6 45.97 30.16 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.838 -0.696 . . . . 55.39 113.239 -177.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.71 -22.69 34.38 Favored Glycine 0 N--CA 1.437 -1.28 0 CA-C-O 118.985 -0.897 . . . . 61.01 115.327 174.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . . . -93.1 118.22 30.96 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.661 1.231 . . . . 67.08 109.613 177.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HD3' ' OE2' ' A' ' 61' ' ' GLU . 26.6 ttmt -73.13 120.07 18.24 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.859 -0.793 . . . . 57.56 108.859 175.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -123.54 171.71 9.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.491 0.662 . . . . 59.11 109.712 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.4 t -122.01 128.43 75.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 108.728 -0.842 . . . . 42.96 108.728 -172.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -125.91 154.91 42.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.063 0.459 . . . . 43.92 110.214 -173.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -118.79 122.96 43.61 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.697 -0.853 . . . . 58.7 108.697 172.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -116.95 134.29 54.93 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 123.221 0.608 . . . . 39.35 109.595 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.529 ' HE3' HD12 ' A' ' 55' ' ' ILE . 71.7 tttt -108.09 114.76 28.9 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 106.888 -1.523 . . . . 65.93 106.888 178.781 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.0 t -115.34 126.46 72.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 108.443 -0.947 . . . . 38.86 108.443 -178.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -101.42 127.63 47.98 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.888 -1.153 . . . . 57.53 107.888 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -126.41 130.49 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.386 -0.598 . . . . 62.54 109.386 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -121.5 84.84 42.55 Favored Pre-proline 0 C--O 1.241 0.639 0 N-CA-C 105.864 -1.902 . . . . 48.22 105.864 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.58 -22.57 32.72 Favored 'Trans proline' 0 CA--C 1.511 -0.627 0 CA-C-O 119.196 -0.418 . . . . 50.1 113.057 -169.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -68.91 -9.48 52.06 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.367 0.506 . . . . 63.2 112.367 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.2 ptm -130.15 17.08 5.57 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 122.864 0.465 . . . . 53.35 110.854 172.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.0 m120 56.05 51.47 11.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.827 0.822 . . . . 85.52 111.755 173.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -134.48 142.86 47.19 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.216 -0.902 . . . . 50.05 110.113 -169.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -152.06 160.79 43.36 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.636 -0.876 . . . . 45.98 108.636 168.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -159.28 150.55 20.08 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.595 -0.891 . . . . 44.94 108.595 -179.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.9 tp -86.35 119.82 27.03 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 107.881 -1.155 . . . . 40.48 107.881 178.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -95.21 -43.86 7.88 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.612 -0.835 . . . . 79.04 112.088 -177.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -138.1 151.85 48.19 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.797 -0.816 . . . . 98.37 108.797 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -149.07 118.22 6.79 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.557 -1.275 . . . . 43.29 107.557 173.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -140.03 144.2 36.78 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.508 0.505 . . . . 60.37 110.263 -173.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.26 131.67 42.23 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.785 -0.643 . . . . 58.56 110.221 171.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.8 mt -89.98 -49.57 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.743 -0.383 . . . . 66.5 111.37 170.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.11 -163.4 37.12 Favored Glycine 0 C--O 1.224 -0.514 0 N-CA-C 110.101 -1.2 . . . . 56.21 110.101 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -81.76 147.99 29.15 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 118.842 -1.143 . . . . 73.3 110.555 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.41 153.83 76.53 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.296 -0.865 . . . . 49.1 109.256 169.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -63.5 149.69 90.41 Favored 'Trans proline' 0 CA--C 1.517 -0.361 0 CA-C-O 121.581 0.575 . . . . 59.21 111.207 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.399 -0.819 . . . . 84.61 110.017 178.851 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_