data_3j6k_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 3j6k _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.8 tttp . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.679 0.276 . . . . 34.649999999999999 111.089 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t -94.64 106.47 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.196 -0.668 . . . . 20.210000000000001 109.196 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.3 143.59 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.785 0.661 . . . . 25.91 112.785 -175.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.99 156.91 52.07 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 107.128 -2.389 . . . . 33.509999999999998 107.128 167.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.49 -52.36 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 39.340000000000003 111.809 -177.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -72.77 -24.41 60.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.137 -0.483 . . . . 47.079999999999998 110.548 178.94 -62.97 -55.307 -84.538 94.09 2.033 110.736 -32.836 -64.853 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -67.11 -43.07 83.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.946 -0.57 . . . . 56.600000000000001 111.112 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp -73.68 -33.56 64.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 31.239999999999998 110.78 179.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.04 -44.03 98.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 24.989999999999998 110.788 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.65 78.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.928 -0.578 . . . . 20.100000000000001 111.068 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.89 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.705 -0.679 . . . . 25.309999999999999 110.679 -179.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.3 mtt -71.59 -38.78 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.707 -0.679 . . . . 35.810000000000002 111.83 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . 0.612 ' NZ ' ' OXT' ' A' ' 129' ' ' LEU . 75.0 tttt -62.79 -45.99 90.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.079 -0.341 . . . . 66.379999999999995 110.079 179.019 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -60.3 -38.32 83.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 38.369999999999997 112.169 -178.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -82.01 4.32 23.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 35.479999999999997 111.542 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.95 35.38 21.72 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 115.908 1.123 . . . . 25.120000000000001 115.908 171.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mt -89.42 -22.13 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.901 0.351 . . . . 18.780000000000001 111.908 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -59.83 114.4 2.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.323 -0.399 . . . . 51.009999999999998 110.525 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 t30 60.35 29.4 18.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.209 -0.905 . . . . 68.329999999999998 112.888 -178.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -76.42 123.57 26.19 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.396 -0.965 . . . . 35.729999999999997 108.396 171.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 57.88 30.41 19.04 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 122.914 0.485 . . . . 48.729999999999997 111.038 -173.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.51 7.51 88.43 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 114.556 0.582 . . . . 28.09 114.556 175.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -97.37 109.62 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.029 0.381 . . . . 20.170000000000002 112.029 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.2 p -56.11 155.67 6.3 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.86 -0.609 . . . . 23.079999999999998 111.899 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.5 tp -55.73 -28.47 55.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.688 -0.687 . . . . 29.41 112.133 -176.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.81 -38.34 96.36 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.113 -0.494 . . . . 15.49 113.071 177.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -64.09 -37.35 87.13 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.414 0.524 . . . . 13.18 112.414 -178.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -73.52 -41.11 63.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 22.399999999999999 112.064 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.7 t -67.22 -39.35 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.633 -0.506 . . . . 25.079999999999998 109.633 177.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.7 t -62.49 -43.42 98.85 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.81 -0.632 . . . . 31.940000000000001 110.725 177.443 177.949 -82.317 -96.409 110.611 2.034 97.36 -82.016 -55.392 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.32 -52.63 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 26.75 110.09 177.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.39 -26.44 67.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.74 -0.664 . . . . 27.789999999999999 112.441 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -71.2 -44.02 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.544 -0.298 . . . . 30.07 110.77 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -91.7 -10.01 41.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 112.281 0.474 . . . . 28.07 112.281 -175.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -89.06 -46.18 9.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.525 -0.307 . . . . 48.390000000000001 111.011 176.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 98.2 p -130.97 -3.28 4.02 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 114.002 1.112 . . . . 33.200000000000003 114.002 -171.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.0 t30 56.11 41.62 29.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.912 0.387 . . . . 37.549999999999997 110.554 -173.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 62.54 17.61 9.76 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.96 0.904 . . . . 32.640000000000001 112.753 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -97.63 118.43 34.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 38.060000000000002 110.3 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -67.91 -28.72 67.74 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.257 0.466 . . . . 29.52 112.257 -179.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -87.92 12.27 13.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.887 0.699 . . . . 28.100000000000001 112.887 -174.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 126.22 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.539 0.57 . . . . 26.399999999999999 112.539 -174.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.6 p -130.27 128.6 41.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.863 -0.608 . . . . 34.359999999999999 110.152 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -133.87 121.63 22.02 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.353 0.501 . . . . 27.98 112.353 177.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -77.56 126.56 31.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.928 -0.578 . . . . 36.689999999999998 111.295 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -84.78 168.34 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 31.239999999999998 111.079 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . 0.655 ' OG1' ' O ' ' A' ' 207' ' ' HOH . 82.4 p -69.35 -26.31 64.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.335 0.494 . . . . 54.880000000000003 112.335 -177.057 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' A' ' 207' ' ' HOH . 47.6 p-10 -84.46 5.49 27.18 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.835 0.68 . . . . 46.479999999999997 112.835 -175.97 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.79 -18.95 54.19 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 113.981 0.352 . . . . 24.41 113.981 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -76.06 177.51 7.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.587 0.232 . . . . 39.670000000000002 110.535 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . 0.703 ' OG1' ' O ' ' A' ' 205' ' ' HOH . 40.7 m -140.03 138.34 35.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 39.57 111.368 177.849 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -88.22 138.07 31.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.933 -0.395 . . . . 39.32 109.933 174.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -125.51 130.14 51.17 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.813 1.042 . . . . 46.829999999999998 113.813 -174.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.48 -162.05 26.6 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 117.316 1.686 . . . . 14.359999999999999 117.316 162.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 tp -61.12 -26.85 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 114.703 -0.749 . . . . 39.189999999999998 111.929 -174.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.3 mt -122.28 13.08 10.3 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.069 0.396 . . . . 34.659999999999997 112.069 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 50.0 59.61 4.41 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.67 0.606 . . . . 33.229999999999997 112.619 174.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 35.3 mt -81.8 128.72 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.735 -0.666 . . . . 27.140000000000001 111.393 -177.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.98 150.37 45.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.836 1.051 . . . . 41.350000000000001 113.836 -172.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.0 p -96.99 5.66 50.04 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.684 0.994 . . . . 44.369999999999997 113.684 -176.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . 0.584 ' NH2' ' O ' ' A' ' 48' ' ' ASP . 13.3 ttm180 -91.98 -31.17 15.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.138 0.494 . . . . 54.950000000000003 110.716 179.4 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -115.14 -37.35 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.524 0.935 . . . . 64.049999999999997 113.524 -175.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -107.4 -35.59 6.74 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 115.654 1.724 . . . . 28.140000000000001 115.654 -164.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -135.55 160.93 36.95 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.48 -0.488 . . . . 20.899999999999999 111.91 -179.433 62.287 90.472 93.029 100.176 2.04 114.32 -58.108 -69.061 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -103.07 128.85 49.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 40.719999999999999 112.175 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -122.28 4.37 9.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.14 0.495 . . . . 33.850000000000001 109.823 173.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.52 -4.38 27.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 115.536 0.974 . . . . 30.239999999999998 115.536 175.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -126.31 30.39 5.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.138 0.469 . . . . 43.68 111.754 -177.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.0 m -132.1 103.79 14.03 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 57.979999999999997 110.184 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.52 131.53 45.02 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.052 2.501 . . . . 73.760000000000005 112.295 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.4 16.47 71.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.58 -0.343 . . . . 53.920000000000002 112.417 -179.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -59.64 128.38 36.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.704 0.288 . . . . 70.109999999999999 111.227 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.6 mmm-85 -99.52 -32.17 11.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 71.510000000000005 111.618 -177.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 54.1 t30 52.67 56.35 7.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.085 0.469 . . . . 33.590000000000003 111.293 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.7 mt -71.35 -21.74 62.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.582 0.586 . . . . 37.829999999999998 112.582 -174.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 81.9 m -88.11 -6.37 57.95 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 110.098 -0.334 . . . . 43.590000000000003 110.098 175.28 -64.142 170.124 76.816 110.502 2.034 104.47 56.221 -172.173 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.8 t30 52.66 57.84 5.98 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.917 0.71 . . . . 64.469999999999999 112.917 179.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.6 pt -146.25 152.28 46.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 38.640000000000001 110.401 177.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -67.53 142.32 58.73 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 N-CA-C 109.664 -0.937 . . . . 38.850000000000001 109.664 167.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.6 m -63.91 -22.52 66.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.983 0.364 . . . . 31.559999999999999 111.983 -179.697 -69.061 -58.108 93.029 114.32 2.04 100.176 90.472 62.287 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.2 p -66.47 -28.35 68.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 23.870000000000001 110.548 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.11 -16.23 63.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 27.960000000000001 111.01 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.9 mt -86.05 2.82 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.004 -0.544 . . . . 27.829999999999998 111.307 179.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.9 mt -109.07 -3.37 17.44 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.974 0.361 . . . . 30.039999999999999 111.974 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.6 p -63.57 154.11 33.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 33.729999999999997 111.622 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.3 m -62.79 -28.38 69.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 44.219999999999999 110.091 174.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . 0.726 ' O ' ' O ' ' A' ' 219' ' ' HOH . 45.4 t0 -79.55 118.15 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.606 -0.887 . . . . 61.920000000000002 108.606 172.686 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.8 pt -89.75 11.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.826 0.676 . . . . 34.630000000000003 112.826 -174.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.6 m -56.15 -48.24 76.66 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.817 0.303 . . . . 43.75 111.817 -178.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.3 96.97 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.644 0.239 . . . . 34.68 111.644 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.1 m -64.54 -42.6 95.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.655 0.264 . . . . 26.100000000000001 111.514 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.26 -49.34 76.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.496 -0.32 . . . . 27.280000000000001 111.385 -179.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -54.06 -41.23 67.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.38 0.511 . . . . 37.990000000000002 112.38 178.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 38.1 t -76.5 -36.29 57.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 36.909999999999997 110.695 -179.065 -172.173 56.221 76.816 104.47 2.034 110.502 170.124 -64.142 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.85 -33.12 74.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.377 -0.374 . . . . 23.609999999999999 111.121 178.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.4 -37.8 88.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 34.770000000000003 110.204 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -68.41 -40.72 81.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 44.93 111.388 176.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 56.1 mt -64.72 -47.79 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.733 -0.667 . . . . 26.489999999999998 111.849 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.8 p -72.37 -6.66 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 35.270000000000003 111.313 -177.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.2 m -107.57 8.08 29.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 41.119999999999997 112.201 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -78.34 -15.06 59.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 41.100000000000001 111.644 -175.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.99 -35.36 2.31 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.778 -0.725 . . . . 48.130000000000003 113.291 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -98.24 10.94 39.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.732 0.641 . . . . 47.359999999999999 112.732 -176.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 60.35 -137.82 48.83 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 116.159 -0.473 . . . . 24.23 113.135 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 34.2 mtp -83.51 1.73 40.43 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.246 0.462 . . . . 24.550000000000001 112.246 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -69.58 -12.42 61.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.89 0.376 . . . . 32.68 110.809 176.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.46 74.88 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.736 -0.665 . . . . 30.530000000000001 110.127 173.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 31.0 m-90 -83.97 109.33 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 32.560000000000002 110.173 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.28 -37.2 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.618 -0.719 . . . . 48.530000000000001 111.472 -177.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.18 79.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 25.199999999999999 111.768 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -68.0 -49.54 60.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.838 -0.345 . . . . 23.550000000000001 111.113 -178.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -61.24 -30.68 70.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.982 0.42 . . . . 50.649999999999999 111.315 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -94.37 -23.55 17.74 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.345 1.239 . . . . 33.439999999999998 114.345 -174.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -127.22 -13.29 5.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.37 1.248 . . . . 24.859999999999999 114.37 -173.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 59.7 m -118.71 -43.01 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.651 0.612 . . . . 39.049999999999997 112.651 -176.857 -55.392 -82.016 -96.409 97.36 2.034 110.611 -82.317 177.949 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.85 119.39 6.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 33.109999999999999 112.478 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.82 -13.98 66.29 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.047 -0.524 . . . . 57.18 113.864 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 38.4 p -88.09 170.55 10.98 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.492 0.552 . . . . 39.280000000000001 112.492 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -74.82 81.24 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 49.200000000000003 110.235 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.2 m -75.44 -14.54 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 113.312 0.856 . . . . 28.510000000000002 113.312 -175.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . 0.687 ' OE1' ' O ' ' A' ' 214' ' ' HOH . 26.6 tm0? -66.51 -23.9 66.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.965 0.412 . . . . 57.219999999999999 109.971 178.013 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.12 -15.46 56.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.924 -0.58 . . . . 37.740000000000002 111.856 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -81.22 -22.34 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.743 0.646 . . . . 37.020000000000003 112.743 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 34.9 pt -104.9 25.66 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 53.140000000000001 111.58 174.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -68.99 141.34 54.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 75.870000000000005 109.902 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.45 -12.2 2.7 Favored Glycine 0 N--CA 1.452 -0.234 0 N-CA-C 114.645 0.618 . . . . 57.93 114.645 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 90.7 m -73.99 120.78 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 57.18 111.886 -178.307 -64.853 -32.836 -84.538 110.736 2.033 94.09 -55.307 -62.97 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 -72.97 90.36 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.107 -1.072 . . . . 68.569999999999993 108.107 174.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . 0.612 ' OXT' ' NZ ' ' A' ' 13' ' ' LYS . 58.0 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.558 0.694 . . . . 80.739999999999995 112.578 -173.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . 0.703 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . 0.655 ' O ' ' OG1' ' A' ' 47' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . 0.687 ' O ' ' OE1' ' A' ' 121' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.726 ' O ' ' O ' ' A' ' 87' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.8 tttp . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.679 0.276 . . . . 34.65 111.089 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t -94.64 106.47 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.196 -0.668 . . . . 20.21 109.196 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.3 143.59 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.785 0.661 . . . . 25.91 112.785 -175.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.99 156.91 52.07 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 107.128 -2.389 . . . . 33.51 107.128 167.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.49 -52.36 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 39.34 111.809 -177.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -72.77 -24.41 60.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.137 -0.483 . . . . 47.08 110.548 178.94 -62.97 -55.307 -84.538 94.09 2.033 110.736 -32.836 -64.853 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -67.11 -43.07 83.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.946 -0.57 . . . . 56.6 111.112 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp -73.68 -33.56 64.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 31.24 110.78 179.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.04 -44.03 98.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 24.99 110.788 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.65 78.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.928 -0.578 . . . . 20.1 111.068 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.89 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.705 -0.679 . . . . 25.31 110.679 -179.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.3 mtt -71.59 -38.78 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.707 -0.679 . . . . 35.81 111.83 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . 0.612 ' NZ ' ' OXT' ' A' ' 129' ' ' LEU . 75.0 tttt -62.79 -45.99 90.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.079 -0.341 . . . . 66.38 110.079 179.019 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -60.3 -38.32 83.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 38.37 112.169 -178.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . 0.438 ' HB3' HG11 ' A' ' 92' ' ' VAL . 55.0 m80 -82.01 4.32 23.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 35.48 111.542 -179.786 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.95 35.38 21.72 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 115.908 1.123 . . . . 25.12 115.908 171.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mt -89.42 -22.13 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.901 0.351 . . . . 18.78 111.908 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -59.83 114.4 2.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.323 -0.399 . . . . 51.01 110.525 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 t30 60.35 29.4 18.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.209 -0.905 . . . . 68.33 112.888 -178.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -76.42 123.57 26.19 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.396 -0.965 . . . . 35.73 108.396 171.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' HG3' HG13 ' A' ' 99' ' ' VAL . 25.2 mmt180 57.88 30.41 19.04 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 122.914 0.485 . . . . 48.73 111.038 -173.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.51 7.51 88.43 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 114.556 0.582 . . . . 28.09 114.556 175.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -97.37 109.62 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.029 0.381 . . . . 20.17 112.029 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.2 p -56.11 155.67 6.3 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.86 -0.609 . . . . 23.08 111.899 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.5 tp -55.73 -28.47 55.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.688 -0.687 . . . . 29.41 112.133 -176.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.81 -38.34 96.36 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.113 -0.494 . . . . 15.49 113.071 177.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -64.09 -37.35 87.13 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.414 0.524 . . . . 13.18 112.414 -178.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -73.52 -41.11 63.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 22.4 112.064 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.7 t -67.22 -39.35 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.633 -0.506 . . . . 25.08 109.633 177.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.7 t -62.49 -43.42 98.85 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.81 -0.632 . . . . 31.94 110.725 177.443 177.949 -82.317 -96.409 110.611 2.034 97.36 -82.016 -55.392 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.32 -52.63 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 26.75 110.09 177.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.39 -26.44 67.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.74 -0.664 . . . . 27.79 112.441 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.536 ' HG2' ' CH2' ' A' ' 123' ' ' TRP . 53.3 tptt -71.2 -44.02 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.544 -0.298 . . . . 30.07 110.77 178.867 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -91.7 -10.01 41.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 112.281 0.474 . . . . 28.07 112.281 -175.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -89.06 -46.18 9.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.525 -0.307 . . . . 48.39 111.011 176.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 98.2 p -130.97 -3.28 4.02 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 114.002 1.112 . . . . 33.2 114.002 -171.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.0 t30 56.11 41.62 29.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.912 0.387 . . . . 37.55 110.554 -173.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 62.54 17.61 9.76 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.96 0.904 . . . . 32.64 112.753 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -97.63 118.43 34.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 38.06 110.3 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -67.91 -28.72 67.74 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.257 0.466 . . . . 29.52 112.257 -179.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -87.92 12.27 13.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.887 0.699 . . . . 28.1 112.887 -174.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 126.22 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.539 0.57 . . . . 26.4 112.539 -174.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.6 p -130.27 128.6 41.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.863 -0.608 . . . . 34.36 110.152 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -133.87 121.63 22.02 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.353 0.501 . . . . 27.98 112.353 177.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -77.56 126.56 31.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.928 -0.578 . . . . 36.69 111.295 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -84.78 168.34 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 31.24 111.079 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . 0.638 ' N ' ' O ' ' A' ' 207' ' ' HOH . 82.4 p -69.35 -26.31 64.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.335 0.494 . . . . 54.88 112.335 -177.057 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . 0.584 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 47.6 p-10 -84.46 5.49 27.18 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.835 0.68 . . . . 46.48 112.835 -175.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.79 -18.95 54.19 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 113.981 0.352 . . . . 24.41 113.981 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -76.06 177.51 7.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.587 0.232 . . . . 39.67 110.535 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . 0.412 ' HB ' ' CE1' ' A' ' 53' ' ' TYR . 40.7 m -140.03 138.34 35.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 39.57 111.368 177.849 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' HB3' ' HB3' ' A' ' 57' ' ' GLN . 80.7 m-20 -88.22 138.07 31.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.933 -0.395 . . . . 39.32 109.933 174.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . 0.412 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 96.1 m-85 -125.51 130.14 51.17 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.813 1.042 . . . . 46.83 113.813 -174.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.48 -162.05 26.6 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 117.316 1.686 . . . . 14.36 117.316 162.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . 0.487 HG23 ' HG ' ' A' ' 56' ' ' LEU . 5.5 tp -61.12 -26.85 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 114.703 -0.749 . . . . 39.19 111.929 -174.58 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . 0.487 ' HG ' HG23 ' A' ' 55' ' ' ILE . 78.3 mt -122.28 13.08 10.3 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.069 0.396 . . . . 34.66 112.069 -177.078 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . 0.496 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . 39.3 mm-40 50.0 59.61 4.41 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.67 0.606 . . . . 33.23 112.619 174.566 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . 0.442 ' HB ' HD13 ' A' ' 83' ' ' LEU . 35.3 mt -81.8 128.72 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.735 -0.666 . . . . 27.14 111.393 -177.166 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.98 150.37 45.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.836 1.051 . . . . 41.35 113.836 -172.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.0 p -96.99 5.66 50.04 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.684 0.994 . . . . 44.37 113.684 -176.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . 0.584 ' NH2' ' O ' ' A' ' 48' ' ' ASP . 13.3 ttm180 -91.98 -31.17 15.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.138 0.494 . . . . 54.95 110.716 179.4 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -115.14 -37.35 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.524 0.935 . . . . 64.05 113.524 -175.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . 0.488 ' CE2' HG12 ' A' ' 98' ' ' ILE . 62.1 m95 -107.4 -35.59 6.74 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 115.654 1.724 . . . . 28.14 115.654 -164.807 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -135.55 160.93 36.95 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.48 -0.488 . . . . 20.9 111.91 -179.433 62.287 90.472 93.029 100.176 2.04 114.32 -58.108 -69.061 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -103.07 128.85 49.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 40.72 112.175 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -122.28 4.37 9.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.14 0.495 . . . . 33.85 109.823 173.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.52 -4.38 27.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 115.536 0.974 . . . . 30.24 115.536 175.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -126.31 30.39 5.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.138 0.469 . . . . 43.68 111.754 -177.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.0 m -132.1 103.79 14.03 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 57.98 110.184 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.52 131.53 45.02 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.052 2.501 . . . . 73.76 112.295 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.4 16.47 71.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.58 -0.343 . . . . 53.92 112.417 -179.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -59.64 128.38 36.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.704 0.288 . . . . 70.11 111.227 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.6 mmm-85 -99.52 -32.17 11.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 71.51 111.618 -177.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 54.1 t30 52.67 56.35 7.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.085 0.469 . . . . 33.59 111.293 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.7 mt -71.35 -21.74 62.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.582 0.586 . . . . 37.83 112.582 -174.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 81.9 m -88.11 -6.37 57.95 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 110.098 -0.334 . . . . 43.59 110.098 175.28 -64.142 170.124 76.816 110.502 2.034 104.47 56.221 -172.173 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.8 t30 52.66 57.84 5.98 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.917 0.71 . . . . 64.47 112.917 179.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.6 pt -146.25 152.28 46.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 38.64 110.401 177.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -67.53 142.32 58.73 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 N-CA-C 109.664 -0.937 . . . . 38.85 109.664 167.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.6 m -63.91 -22.52 66.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.983 0.364 . . . . 31.56 111.983 -179.697 -69.061 -58.108 93.029 114.32 2.04 100.176 90.472 62.287 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.2 p -66.47 -28.35 68.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 23.87 110.548 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.11 -16.23 63.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 27.96 111.01 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . 0.442 HD13 ' HB ' ' A' ' 58' ' ' ILE . 93.9 mt -86.05 2.82 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.004 -0.544 . . . . 27.83 111.307 179.262 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.9 mt -109.07 -3.37 17.44 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.974 0.361 . . . . 30.04 111.974 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.6 p -63.57 154.11 33.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 33.73 111.622 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.3 m -62.79 -28.38 69.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 44.22 110.091 174.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . 0.726 ' O ' ' O ' ' A' ' 219' ' ' HOH . 45.4 t0 -79.55 118.15 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.606 -0.887 . . . . 61.92 108.606 172.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.8 pt -89.75 11.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.826 0.676 . . . . 34.63 112.826 -174.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.6 m -56.15 -48.24 76.66 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.817 0.303 . . . . 43.75 111.817 -178.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.3 96.97 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.644 0.239 . . . . 34.68 111.644 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.1 m -64.54 -42.6 95.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.655 0.264 . . . . 26.1 111.514 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 15' ' ' HIS . 54.2 t -66.26 -49.34 76.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.496 -0.32 . . . . 27.28 111.385 -179.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -54.06 -41.23 67.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.38 0.511 . . . . 37.99 112.38 178.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . 0.422 ' O ' HG13 ' A' ' 98' ' ' ILE . 38.1 t -76.5 -36.29 57.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 36.91 110.695 -179.065 -172.173 56.221 76.816 104.47 2.034 110.502 170.124 -64.142 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.85 -33.12 74.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.377 -0.374 . . . . 23.61 111.121 178.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.4 -37.8 88.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 34.77 110.204 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -68.41 -40.72 81.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 44.93 111.388 176.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . 0.488 HG12 ' CE2' ' A' ' 63' ' ' TRP . 56.1 mt -64.72 -47.79 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.733 -0.667 . . . . 26.49 111.849 -179.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . 0.483 HG13 ' HG3' ' A' ' 21' ' ' ARG . 3.8 p -72.37 -6.66 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 35.27 111.313 -177.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.2 m -107.57 8.08 29.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 41.12 112.201 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -78.34 -15.06 59.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 41.1 111.644 -175.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.99 -35.36 2.31 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.778 -0.725 . . . . 48.13 113.291 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -98.24 10.94 39.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.732 0.641 . . . . 47.36 112.732 -176.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 60.35 -137.82 48.83 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 116.159 -0.473 . . . . 24.23 113.135 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 34.2 mtp -83.51 1.73 40.43 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.246 0.462 . . . . 24.55 112.246 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -69.58 -12.42 61.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.89 0.376 . . . . 32.68 110.809 176.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.46 74.88 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.736 -0.665 . . . . 30.53 110.127 173.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 31.0 m-90 -83.97 109.33 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 32.56 110.173 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.28 -37.2 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.618 -0.719 . . . . 48.53 111.472 -177.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.18 79.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 25.2 111.768 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -68.0 -49.54 60.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.838 -0.345 . . . . 23.55 111.113 -178.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -61.24 -30.68 70.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.982 0.42 . . . . 50.65 111.315 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -94.37 -23.55 17.74 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.345 1.239 . . . . 33.44 114.345 -174.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' A' ' 221' ' ' HOH . 51.8 mtp180 -127.22 -13.29 5.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.37 1.248 . . . . 24.86 114.37 -173.131 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 59.7 m -118.71 -43.01 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.651 0.612 . . . . 39.05 112.651 -176.857 -55.392 -82.016 -96.409 97.36 2.034 110.611 -82.317 177.949 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.85 119.39 6.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 33.11 112.478 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.82 -13.98 66.29 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.047 -0.524 . . . . 57.18 113.864 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 38.4 p -88.09 170.55 10.98 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.492 0.552 . . . . 39.28 112.492 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -74.82 81.24 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 49.2 110.235 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.2 m -75.44 -14.54 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 113.312 0.856 . . . . 28.51 113.312 -175.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . 0.687 ' OE1' ' O ' ' A' ' 214' ' ' HOH . 26.6 tm0? -66.51 -23.9 66.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.965 0.412 . . . . 57.22 109.971 178.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.12 -15.46 56.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.924 -0.58 . . . . 37.74 111.856 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TRP . . . . . 0.536 ' CH2' ' HG2' ' A' ' 33' ' ' LYS . 97.5 m95 -81.22 -22.34 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.743 0.646 . . . . 37.02 112.743 -178.895 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 34.9 pt -104.9 25.66 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 53.14 111.58 174.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -68.99 141.34 54.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 75.87 109.902 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.45 -12.2 2.7 Favored Glycine 0 N--CA 1.452 -0.234 0 N-CA-C 114.645 0.618 . . . . 57.93 114.645 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 90.7 m -73.99 120.78 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 57.18 111.886 -178.307 -64.853 -32.836 -84.538 110.736 2.033 94.09 -55.307 -62.97 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 -72.97 90.36 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.107 -1.072 . . . . 68.57 108.107 174.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . 0.612 ' OXT' ' NZ ' ' A' ' 13' ' ' LYS . 58.0 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.558 0.694 . . . . 80.74 112.578 -173.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . 0.638 ' O ' ' N ' ' A' ' 47' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . 0.687 ' O ' ' OE1' ' A' ' 121' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.726 ' O ' ' O ' ' A' ' 87' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . 0.429 ' O ' ' HD2' ' A' ' 114' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.8 tttp . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.679 0.276 . . . . 34.649999999999999 111.089 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t -94.64 106.47 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.196 -0.668 . . . . 20.210000000000001 109.196 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.3 143.59 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.785 0.661 . . . . 25.91 112.785 -175.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.99 156.91 52.07 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 107.128 -2.389 . . . . 33.509999999999998 107.128 167.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.49 -52.36 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 39.340000000000003 111.809 -177.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -72.77 -24.41 60.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.137 -0.483 . . . . 47.079999999999998 110.548 178.94 -62.97 -55.307 -84.538 94.09 2.033 110.736 -32.836 -64.853 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -67.11 -43.07 83.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.946 -0.57 . . . . 56.600000000000001 111.112 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 tp -73.68 -33.56 64.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 31.239999999999998 110.78 179.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.04 -44.03 98.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 24.989999999999998 110.788 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.65 78.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.928 -0.578 . . . . 20.100000000000001 111.068 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.89 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.705 -0.679 . . . . 25.309999999999999 110.679 -179.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.3 mtt -71.59 -38.78 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.707 -0.679 . . . . 35.810000000000002 111.83 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.612 ' NZ ' ' OXT' ' A' ' 129' ' ' LEU . 75.0 tttt -62.79 -45.99 90.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.079 -0.341 . . . . 66.379999999999995 110.079 179.019 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -60.3 -38.32 83.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 38.369999999999997 112.169 -178.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.438 ' HB3' HG11 ' A' ' 92' ' ' VAL . 55.0 m80 -82.01 4.32 23.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 35.479999999999997 111.542 -179.786 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.95 35.38 21.72 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 115.908 1.123 . . . . 25.120000000000001 115.908 171.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mt -89.42 -22.13 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.901 0.351 . . . . 18.780000000000001 111.908 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -59.83 114.4 2.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.323 -0.399 . . . . 51.009999999999998 110.525 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 t30 60.35 29.4 18.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.209 -0.905 . . . . 68.329999999999998 112.888 -178.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -76.42 123.57 26.19 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.396 -0.965 . . . . 35.729999999999997 108.396 171.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' HG3' HG13 ' A' ' 99' ' ' VAL . 25.2 mmt180 57.88 30.41 19.04 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 122.914 0.485 . . . . 48.729999999999997 111.038 -173.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.51 7.51 88.43 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 114.556 0.582 . . . . 28.09 114.556 175.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -97.37 109.62 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.029 0.381 . . . . 20.170000000000002 112.029 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.2 p -56.11 155.67 6.3 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.86 -0.609 . . . . 23.079999999999998 111.899 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.5 tp -55.73 -28.47 55.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.688 -0.687 . . . . 29.41 112.133 -176.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.81 -38.34 96.36 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.113 -0.494 . . . . 15.49 113.071 177.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -64.09 -37.35 87.13 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.414 0.524 . . . . 13.18 112.414 -178.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -73.52 -41.11 63.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 22.399999999999999 112.064 -178.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.7 t -67.22 -39.35 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.633 -0.506 . . . . 25.079999999999998 109.633 177.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.7 t -62.49 -43.42 98.85 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.81 -0.632 . . . . 31.940000000000001 110.725 177.443 177.949 -82.317 -96.409 110.611 2.034 97.36 -82.016 -55.392 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.32 -52.63 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 26.75 110.09 177.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.39 -26.44 67.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.74 -0.664 . . . . 27.789999999999999 112.441 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.536 ' HG2' ' CH2' ' A' ' 123' ' ' TRP . 53.3 tptt -71.2 -44.02 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.544 -0.298 . . . . 30.07 110.77 178.867 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -91.7 -10.01 41.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 112.281 0.474 . . . . 28.07 112.281 -175.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -89.06 -46.18 9.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.525 -0.307 . . . . 48.390000000000001 111.011 176.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 98.2 p -130.97 -3.28 4.02 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 114.002 1.112 . . . . 33.200000000000003 114.002 -171.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.0 t30 56.11 41.62 29.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.912 0.387 . . . . 37.549999999999997 110.554 -173.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 62.54 17.61 9.76 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.96 0.904 . . . . 32.640000000000001 112.753 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -97.63 118.43 34.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 38.060000000000002 110.3 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -67.91 -28.72 67.74 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.257 0.466 . . . . 29.52 112.257 -179.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -87.92 12.27 13.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.887 0.699 . . . . 28.100000000000001 112.887 -174.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 126.22 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.539 0.57 . . . . 26.399999999999999 112.539 -174.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.6 p -130.27 128.6 41.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.863 -0.608 . . . . 34.359999999999999 110.152 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -133.87 121.63 22.02 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.353 0.501 . . . . 27.98 112.353 177.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -77.56 126.56 31.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.928 -0.578 . . . . 36.689999999999998 111.295 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -84.78 168.34 15.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 31.239999999999998 111.079 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . 0.638 ' N ' ' O ' ' A' ' 207' ' ' HOH . 82.4 p -69.35 -26.31 64.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.335 0.494 . . . . 54.880000000000003 112.335 -177.057 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.584 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 47.6 p-10 -84.46 5.49 27.18 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.835 0.68 . . . . 46.479999999999997 112.835 -175.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.79 -18.95 54.19 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 113.981 0.352 . . . . 24.41 113.981 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -76.06 177.51 7.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.587 0.232 . . . . 39.670000000000002 110.535 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . 0.412 ' HB ' ' CE1' ' A' ' 53' ' ' TYR . 40.7 m -140.03 138.34 35.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 39.57 111.368 177.849 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' HB3' ' HB3' ' A' ' 57' ' ' GLN . 80.7 m-20 -88.22 138.07 31.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.933 -0.395 . . . . 39.32 109.933 174.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.412 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 96.1 m-85 -125.51 130.14 51.17 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.813 1.042 . . . . 46.829999999999998 113.813 -174.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.48 -162.05 26.6 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 117.316 1.686 . . . . 14.359999999999999 117.316 162.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.487 HG23 ' HG ' ' A' ' 56' ' ' LEU . 5.5 tp -61.12 -26.85 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 114.703 -0.749 . . . . 39.189999999999998 111.929 -174.58 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.487 ' HG ' HG23 ' A' ' 55' ' ' ILE . 78.3 mt -122.28 13.08 10.3 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.069 0.396 . . . . 34.659999999999997 112.069 -177.078 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.496 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . 39.3 mm-40 50.0 59.61 4.41 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.67 0.606 . . . . 33.229999999999997 112.619 174.566 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.442 ' HB ' HD13 ' A' ' 83' ' ' LEU . 35.3 mt -81.8 128.72 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.735 -0.666 . . . . 27.140000000000001 111.393 -177.166 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.98 150.37 45.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.836 1.051 . . . . 41.350000000000001 113.836 -172.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.0 p -96.99 5.66 50.04 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.684 0.994 . . . . 44.369999999999997 113.684 -176.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.584 ' NH2' ' O ' ' A' ' 48' ' ' ASP . 13.3 ttm180 -91.98 -31.17 15.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.138 0.494 . . . . 54.950000000000003 110.716 179.4 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -115.14 -37.35 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.524 0.935 . . . . 64.049999999999997 113.524 -175.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.488 ' CE2' HG12 ' A' ' 98' ' ' ILE . 62.1 m95 -107.4 -35.59 6.74 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 115.654 1.724 . . . . 28.140000000000001 115.654 -164.807 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.4 p -135.55 160.93 36.95 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.48 -0.488 . . . . 20.899999999999999 111.91 -179.433 62.287 90.472 93.029 100.176 2.04 114.32 -58.108 -69.061 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -103.07 128.85 49.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 40.719999999999999 112.175 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -122.28 4.37 9.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.14 0.495 . . . . 33.850000000000001 109.823 173.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.52 -4.38 27.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 115.536 0.974 . . . . 30.239999999999998 115.536 175.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -126.31 30.39 5.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.138 0.469 . . . . 43.68 111.754 -177.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.0 m -132.1 103.79 14.03 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 57.979999999999997 110.184 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.52 131.53 45.02 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.052 2.501 . . . . 73.760000000000005 112.295 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.4 16.47 71.27 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.58 -0.343 . . . . 53.920000000000002 112.417 -179.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -59.64 128.38 36.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.704 0.288 . . . . 70.109999999999999 111.227 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.6 mmm-85 -99.52 -32.17 11.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 71.510000000000005 111.618 -177.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 54.1 t30 52.67 56.35 7.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.085 0.469 . . . . 33.590000000000003 111.293 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.7 mt -71.35 -21.74 62.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.582 0.586 . . . . 37.829999999999998 112.582 -174.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 81.9 m -88.11 -6.37 57.95 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 110.098 -0.334 . . . . 43.590000000000003 110.098 175.28 -64.142 170.124 76.816 110.502 2.034 104.47 56.221 -172.173 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.8 t30 52.66 57.84 5.98 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.917 0.71 . . . . 64.469999999999999 112.917 179.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.6 pt -146.25 152.28 46.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 38.640000000000001 110.401 177.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -67.53 142.32 58.73 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 N-CA-C 109.664 -0.937 . . . . 38.850000000000001 109.664 167.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.6 m -63.91 -22.52 66.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.983 0.364 . . . . 31.559999999999999 111.983 -179.697 -69.061 -58.108 93.029 114.32 2.04 100.176 90.472 62.287 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.2 p -66.47 -28.35 68.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 23.870000000000001 110.548 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.11 -16.23 63.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 27.960000000000001 111.01 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.442 HD13 ' HB ' ' A' ' 58' ' ' ILE . 93.9 mt -86.05 2.82 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.004 -0.544 . . . . 27.829999999999998 111.307 179.262 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.9 mt -109.07 -3.37 17.44 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.974 0.361 . . . . 30.039999999999999 111.974 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.6 p -63.57 154.11 33.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 33.729999999999997 111.622 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.3 m -62.79 -28.38 69.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 44.219999999999999 110.091 174.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.726 ' O ' ' O ' ' A' ' 219' ' ' HOH . 45.4 t0 -79.55 118.15 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.606 -0.887 . . . . 61.920000000000002 108.606 172.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.8 pt -89.75 11.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.826 0.676 . . . . 34.630000000000003 112.826 -174.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.6 m -56.15 -48.24 76.66 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.817 0.303 . . . . 43.75 111.817 -178.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.3 96.97 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.644 0.239 . . . . 34.68 111.644 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.1 m -64.54 -42.6 95.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.655 0.264 . . . . 26.100000000000001 111.514 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 15' ' ' HIS . 54.2 t -66.26 -49.34 76.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.496 -0.32 . . . . 27.280000000000001 111.385 -179.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -54.06 -41.23 67.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.38 0.511 . . . . 37.990000000000002 112.38 178.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.422 ' O ' HG13 ' A' ' 98' ' ' ILE . 38.1 t -76.5 -36.29 57.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 36.909999999999997 110.695 -179.065 -172.173 56.221 76.816 104.47 2.034 110.502 170.124 -64.142 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.85 -33.12 74.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.377 -0.374 . . . . 23.609999999999999 111.121 178.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.4 -37.8 88.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 34.770000000000003 110.204 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -68.41 -40.72 81.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.971 0.415 . . . . 44.93 111.388 176.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.488 HG12 ' CE2' ' A' ' 63' ' ' TRP . 56.1 mt -64.72 -47.79 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.733 -0.667 . . . . 26.489999999999998 111.849 -179.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.483 HG13 ' HG3' ' A' ' 21' ' ' ARG . 3.8 p -72.37 -6.66 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 35.270000000000003 111.313 -177.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.2 m -107.57 8.08 29.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 41.119999999999997 112.201 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -78.34 -15.06 59.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 41.100000000000001 111.644 -175.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.99 -35.36 2.31 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.778 -0.725 . . . . 48.130000000000003 113.291 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -98.24 10.94 39.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.732 0.641 . . . . 47.359999999999999 112.732 -176.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 60.35 -137.82 48.83 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 116.159 -0.473 . . . . 24.23 113.135 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 34.2 mtp -83.51 1.73 40.43 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.246 0.462 . . . . 24.550000000000001 112.246 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -69.58 -12.42 61.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.89 0.376 . . . . 32.68 110.809 176.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.46 74.88 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.736 -0.665 . . . . 30.530000000000001 110.127 173.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 31.0 m-90 -83.97 109.33 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 32.560000000000002 110.173 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.28 -37.2 67.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.618 -0.719 . . . . 48.530000000000001 111.472 -177.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.18 79.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 25.199999999999999 111.768 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -68.0 -49.54 60.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.838 -0.345 . . . . 23.550000000000001 111.113 -178.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -61.24 -30.68 70.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.982 0.42 . . . . 50.649999999999999 111.315 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -94.37 -23.55 17.74 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.345 1.239 . . . . 33.439999999999998 114.345 -174.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' A' ' 221' ' ' HOH . 51.8 mtp180 -127.22 -13.29 5.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.37 1.248 . . . . 24.859999999999999 114.37 -173.131 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 59.7 m -118.71 -43.01 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.651 0.612 . . . . 39.049999999999997 112.651 -176.857 -55.392 -82.016 -96.409 97.36 2.034 110.611 -82.317 177.949 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.85 119.39 6.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 33.109999999999999 112.478 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.82 -13.98 66.29 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.047 -0.524 . . . . 57.18 113.864 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 38.4 p -88.09 170.55 10.98 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.492 0.552 . . . . 39.280000000000001 112.492 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -74.82 81.24 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 49.200000000000003 110.235 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.2 m -75.44 -14.54 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 113.312 0.856 . . . . 28.510000000000002 113.312 -175.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.687 ' OE1' ' O ' ' A' ' 214' ' ' HOH . 26.6 tm0? -66.51 -23.9 66.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.965 0.412 . . . . 57.219999999999999 109.971 178.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.12 -15.46 56.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.924 -0.58 . . . . 37.740000000000002 111.856 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.536 ' CH2' ' HG2' ' A' ' 33' ' ' LYS . 97.5 m95 -81.22 -22.34 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.743 0.646 . . . . 37.020000000000003 112.743 -178.895 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 34.9 pt -104.9 25.66 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 53.140000000000001 111.58 174.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -68.99 141.34 54.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 75.870000000000005 109.902 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.45 -12.2 2.7 Favored Glycine 0 N--CA 1.452 -0.234 0 N-CA-C 114.645 0.618 . . . . 57.93 114.645 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 90.7 m -73.99 120.78 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 57.18 111.886 -178.307 -64.853 -32.836 -84.538 110.736 2.033 94.09 -55.307 -62.97 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 -72.97 90.36 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.107 -1.072 . . . . 68.569999999999993 108.107 174.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.612 ' OXT' ' NZ ' ' A' ' 13' ' ' LYS . 58.0 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.558 0.694 . . . . 80.739999999999995 112.578 -173.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . 0.638 ' O ' ' N ' ' A' ' 47' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . 0.687 ' O ' ' OE1' ' A' ' 121' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.726 ' O ' ' O ' ' A' ' 87' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . 0.429 ' O ' ' HD2' ' A' ' 114' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_