data_1xek_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 1xek _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 . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-O 117.925 -1.036 . . . . 32.780000000000001 108.827 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 t -106.89 122.65 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 127.785 3.178 . . . . 24.190000000000001 112.119 -178.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . 0.541 ' CD2' ' OE2' ' A' ' 7' ' ' GLU . 23.5 m-85 -82.28 -139.69 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.173 -2.158 . . . . 27.02 105.173 178.014 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.71 157.83 29.9 Favored Glycine 0 CA--C 1.533 1.176 1 N-CA-C 99.662 -5.375 . . . . 25.440000000000001 99.662 178.423 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' NH1' ' O ' ' A' ' 125' ' ' ARG . 52.6 ttp85 -44.39 -49.21 9.76 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 125.576 1.398 . . . . 26.75 110.625 179.298 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -75.95 -45.14 36.5 Favored 'General case' 0 C--O 1.252 1.234 0 CA-C-O 112.814 -3.469 . . . . 31.890000000000001 114.517 -177.329 -55.563 -53.249 -72.446 109.216 2.025 101.642 -73.268 -48.216 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . 0.541 ' OE2' ' CD2' ' A' ' 3' ' ' PHE . 20.5 tt0 -52.69 -64.21 0.89 Allowed 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 103.798 -2.667 . . . . 28.030000000000001 103.798 179.186 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' MET . 14.6 tp -35.16 -63.1 0.35 Allowed 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 126.712 2.005 . . . . 25.899999999999999 109.327 -177.916 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.92 -38.08 7.1 Favored 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 126.833 2.053 . . . . 24.489999999999998 109.02 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' GLU . . . -70.57 -46.54 63.3 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.363 -1.29 . . . . 23.640000000000001 111.807 -179.495 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.17 -29.14 48.45 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.382 -1.281 . . . . 28.370000000000001 110.526 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -67.34 -48.97 65.96 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 103.575 -2.75 . . . . 30.649999999999999 103.575 178.871 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CE ' ' O ' ' A' ' 584' ' ' HOH . 13.9 tttm -52.13 -54.21 33.43 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 116.456 2.021 . . . . 30.5 116.456 -178.361 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ptt-85 -82.34 35.46 0.44 Allowed 'General case' 0 C--O 1.26 1.647 0 N-CA-C 116.366 1.987 . . . . 36.630000000000003 116.366 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -141.89 -7.03 0.96 Allowed 'General case' 0 C--O 1.243 0.719 0 CA-C-O 117.496 -1.24 . . . . 29.170000000000002 107.702 178.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.34 -17.12 31.65 Favored Glycine 0 C--O 1.258 1.655 0 N-CA-C 121.771 3.469 . . . . 27.75 121.771 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -71.46 -3.34 20.5 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.317 2.059 . . . . 25.050000000000001 112.183 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . 0.563 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -64.52 76.78 0.04 OUTLIER 'General case' 0 C--O 1.259 1.57 0 C-N-CA 126.471 1.909 . . . . 30.949999999999999 109.722 179.913 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 18' ' ' ASP . 28.2 m120 79.12 67.79 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 119.127 -1.029 . . . . 29.32 110.293 -178.377 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -118.84 115.74 25.04 Favored 'General case' 0 N--CA 1.444 -0.746 1 CA-C-O 130.408 4.908 . . . . 35.399999999999999 118.477 -177.151 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 55.05 54.64 8.65 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 109.617 -3.447 . . . . 30.670000000000002 103.218 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 23' ' ' TYR . . . 55.31 57.92 16.27 Favored Glycine 0 N--CA 1.43 -1.735 0 O-C-N 128.897 3.873 . . . . 25.640000000000001 116.826 -178.225 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 22' ' ' GLY 0.428 0.0 OUTLIER -163.53 92.83 0.73 Allowed 'General case' 0 N--CA 1.51 2.546 1 CA-C-O 129.03 4.252 . . . . 34.950000000000003 107.175 176.601 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.0 t -23.41 161.82 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.89 1 C-N-CA 135.052 5.341 . . . . 26.739999999999998 113.019 -178.505 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 tp -73.45 -41.32 63.36 Favored 'General case' 0 C--O 1.252 1.187 0 O-C-N 126.446 2.341 . . . . 22.02 108.559 -178.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.17 -41.87 31.11 Favored Glycine 0 N--CA 1.482 1.702 0 O-C-N 126.422 2.326 . . . . 19.899999999999999 108.463 -179.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -55.82 -34.73 65.63 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 115.013 -2.423 . . . . 23.550000000000001 112.062 -178.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -80.85 -47.35 13.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 127.909 3.256 . . . . 19.59 112.199 -176.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -41.96 94.71 Favored 'Isoleucine or valine' 0 C--O 1.258 1.524 0 O-C-N 127.73 3.144 . . . . 15.949999999999999 106.42 179.321 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 32.3 t -60.55 -50.11 74.84 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 124.191 0.932 . . . . 22.989999999999998 111.838 179.02 -170.342 -98.501 -67.179 109.038 2.018 96.634 -111.901 -42.598 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.26 -40.83 62.25 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 127.809 3.193 . . . . 15.869999999999999 109.088 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.58 -41.33 98.38 Favored 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 127.66 3.1 . . . . 18.170000000000002 114.999 -179.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -45.73 92.05 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 117.173 -1.394 . . . . 27.609999999999999 109.283 -178.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.77 -18.99 33.31 Favored 'General case' 0 C--O 1.256 1.411 0 N-CA-C 121.168 3.766 . . . . 31.460000000000001 121.168 -176.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.82 -12.71 15.77 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 115.873 -2.013 . . . . 39.93 114.333 -179.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.6 p -144.43 -16.71 0.56 Allowed 'General case' 0 N--CA 1.486 1.355 0 O-C-N 126.487 2.367 . . . . 29.82 114.47 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 67.99 37.25 3.09 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.455 -0.778 . . . . 36.82 109.238 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 61.19 17.12 7.85 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 119.002 2.964 . . . . 31.09 119.002 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -108.56 117.62 34.65 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 126.074 2.845 . . . . 33.640000000000001 113.279 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . 0.427 ' CG2' ' O ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -68.19 -22.61 64.81 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 112.8 -2.0 . . . . 30.68 114.055 -178.834 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.39 32.55 1.05 Allowed 'General case' 0 C--N 1.307 -1.26 0 O-C-N 124.808 1.318 . . . . 34.920000000000002 109.828 179.416 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.32 96.94 10.92 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 116.733 2.123 . . . . 32.960000000000001 116.733 -176.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.3 p -84.85 151.05 24.59 Favored 'General case' 0 C--O 1.244 0.784 0 O-C-N 128.211 3.444 . . . . 36.420000000000002 104.743 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -155.41 101.71 2.21 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 101.44 -3.541 . . . . 35.670000000000002 101.44 -178.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' CG ' ' NH1' ' A' ' 45' ' ' ARG . 7.1 mtp85 -87.64 104.75 16.82 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 117.074 2.25 . . . . 46.049999999999997 117.074 -179.412 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.57 174.36 1.36 Allowed 'General case' 0 N--CA 1.475 0.777 0 O-C-N 128.934 3.896 . . . . 34.030000000000001 107.187 178.768 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.66 -55.73 8.06 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 124.365 1.041 . . . . 33.939999999999998 112.807 -179.464 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -52.36 -12.98 0.3 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 114.542 -2.647 . . . . 31.600000000000001 111.516 -175.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.56 -27.54 11.22 Favored Glycine 0 C--O 1.258 1.643 1 O-C-N 129.692 4.37 . . . . 31.890000000000001 108.667 179.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . 0.444 ' CB ' ' OG ' ' A' ' 60' ' ' SER . 9.5 p -57.97 166.53 1.47 Allowed 'General case' 0 C--O 1.259 1.567 0 O-C-N 126.939 2.199 . . . . 30.440000000000001 105.495 177.75 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.7 m -142.42 162.95 34.15 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 113.237 -1.801 . . . . 23.920000000000002 112.506 -177.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -110.57 123.91 50.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 110.034 -3.257 . . . . 22.960000000000001 105.256 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . 0.486 ' OH ' ' OD2' ' A' ' 66' ' ' ASP . 5.1 m-85 -127.56 157.73 39.37 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 126.428 2.33 . . . . 23.07 107.352 177.938 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.57 173.67 49.67 Favored Glycine 0 N--CA 1.437 -1.255 0 CA-C-N 111.543 -2.571 . . . . 26.949999999999999 119.144 175.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 tp -51.54 -48.5 35.52 Favored 'Isoleucine or valine' 0 C--O 1.262 1.756 1 CA-C-N 105.614 -5.293 . . . . 25.780000000000001 107.822 -179.53 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . 0.446 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 15.1 mt -98.48 16.2 22.5 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 126.004 2.065 . . . . 26.84 115.719 -177.208 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 46.23 37.67 4.26 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 119.212 3.041 . . . . 24.41 119.212 177.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.2 mp -53.15 138.18 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 O-C-N 120.454 -1.404 . . . . 24.879999999999999 110.459 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -83.87 149.2 26.52 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 125.272 1.429 . . . . 27.399999999999999 109.589 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . 0.444 ' OG ' ' CB ' ' A' ' 50' ' ' SER . 38.7 p -78.3 -39.68 39.12 Favored 'General case' 0 C--O 1.254 1.293 0 N-CA-C 117.934 2.568 . . . . 28.09 117.934 -177.911 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.4 mtp85 -72.3 -12.78 61.29 Favored 'General case' 0 C--N 1.313 -1.013 1 CA-C-O 111.533 -4.08 . . . . 35.039999999999999 112.127 179.107 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . 0.662 ' CZ2' ' NH2' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -128.17 -16.31 4.53 Favored 'General case' 0 C--O 1.258 1.534 1 CA-C-O 111.186 -4.245 . . . . 36.82 113.956 -178.734 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . 0.514 ' O ' ' SG ' ' A' ' 76' ' ' CYS . 33.6 m95 -128.18 -22.49 3.43 Favored 'General case' 0 C--O 1.255 1.363 0 O-C-N 128.682 3.739 . . . . 27.649999999999999 120.413 -179.609 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.84 -161.2 1.11 Allowed 'General case' 0 C--O 1.248 1.002 0 O-C-N 128.846 3.841 . . . . 26.379999999999999 111.099 -178.571 69.889 80.702 98.544 110.599 2.048 105.773 -58.318 -57.178 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 80' ' ' CYS . 60.8 t30 -147.33 131.53 17.4 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 114.312 -1.313 . . . . 26.52 111.782 -179.429 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . 0.486 ' OD2' ' OH ' ' A' ' 53' ' ' TYR . 27.4 p30 -146.66 -3.47 0.61 Allowed 'General case' 0 C--O 1.247 0.965 0 C-N-CA 126.254 1.821 . . . . 32.549999999999997 113.043 -176.604 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 66' ' ' ASP . . . 50.28 124.61 0.0 OUTLIER Glycine 0 N--CA 1.475 1.242 1 CA-C-O 129.483 4.935 . . . . 32.479999999999997 108.545 178.021 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 576' ' ' HOH . 11.6 ptt85 93.64 94.24 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.546 2 N-CA-C 95.484 -5.746 . . . . 36.170000000000002 95.484 -161.003 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . 0.616 ' O ' ' N ' ' A' ' 71' ' ' GLY . 1.2 m 170.04 79.01 0.03 OUTLIER Pre-proline 0 C--N 1.356 0.861 2 CA-C-N 105.847 -5.161 . . . . 37.689999999999998 112.377 175.242 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -36.82 48.77 0.0 OUTLIER 'Trans proline' 0 C--O 1.267 1.945 1 O-C-N 131.277 5.356 . . . . 40.229999999999997 117.92 -179.289 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' A' ' 69' ' ' THR . . . 128.05 38.94 0.36 Allowed Glycine 0 C--O 1.254 1.366 0 O-C-N 127.039 2.712 . . . . 38.520000000000003 115.103 178.062 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . 0.461 ' CB ' ' CG2' ' A' ' 69' ' ' THR . 29.5 t -59.92 113.47 2.32 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 125.018 2.342 . . . . 37.880000000000003 111.973 179.201 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . 0.662 ' NH2' ' CZ2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -76.83 -11.4 59.82 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 126.492 1.917 . . . . 48.780000000000001 111.835 -179.027 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 74' ' ' ASN . 49.8 t-20 24.88 51.3 0.02 OUTLIER 'General case' 0 C--O 1.268 2.079 0 N-CA-C 120.306 3.447 . . . . 33.18 120.306 178.637 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . 0.555 ' CD2' ' O ' ' A' ' 569' ' ' HOH . 93.9 mt -49.89 -2.22 0.01 OUTLIER 'General case' 0 C--O 1.27 2.162 0 N-CA-C 120.675 3.583 . . . . 28.989999999999998 120.675 179.663 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' A' ' 63' ' ' TRP . 0.8 OUTLIER -110.21 -16.54 13.74 Favored 'General case' 0 C--O 1.246 0.9 0 O-C-N 117.751 -3.093 . . . . 30.530000000000001 106.535 -177.689 -26.863 -161.913 9.462 119.887 2.033 110.862 93.799 168.835 3 3 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 54.71 55.75 7.53 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 103.782 -2.673 . . . . 32.719999999999999 103.782 -177.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.26 135.78 21.54 Favored Pre-proline 0 N--CA 1.473 0.678 0 O-C-N 126.486 2.366 . . . . 28.789999999999999 109.803 179.973 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.9 137.5 19.84 Favored 'Trans proline' 0 C--O 1.268 2.004 0 N-CA-C 105.507 -2.536 . . . . 27.149999999999999 105.507 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' ASN . 63.7 m -56.23 -26.81 52.64 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 120.826 -1.171 . . . . 25.899999999999999 110.576 -177.518 -57.178 -58.318 98.544 105.773 2.048 110.599 80.702 69.889 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 p -55.62 -37.33 68.02 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 127.52 2.328 . . . . 27.449999999999999 115.389 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.44 -29.01 69.05 Favored 'General case' 0 C--O 1.255 1.359 0 C-N-CA 124.795 1.238 . . . . 28.75 113.765 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . 0.427 ' O ' ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER -72.31 -45.66 59.03 Favored 'General case' 0 C--O 1.208 -1.124 0 C-N-CA 126.103 1.761 . . . . 30.219999999999999 108.073 -179.143 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.3 mt -53.76 -37.61 63.57 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 126.885 2.616 . . . . 28.219999999999999 112.509 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . 0.579 ' O ' ' N ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -68.22 133.61 49.12 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 126.545 2.403 . . . . 28.440000000000001 111.526 179.346 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.8 m -42.48 -8.22 0.01 OUTLIER 'General case' 0 C--O 1.25 1.106 0 CA-C-O 112.567 -3.587 . . . . 30.739999999999998 113.238 -177.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -75.02 156.16 36.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 128.358 3.536 . . . . 34.460000000000001 107.437 178.707 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . 0.627 ' N ' ' O ' ' A' ' 589' ' ' HOH . 1.8 pt -120.69 1.14 7.15 Favored 'Isoleucine or valine' 0 C--O 1.25 1.124 0 CA-C-N 121.509 1.959 . . . . 27.399999999999999 108.426 176.766 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . 0.484 ' OG1' ' OD2' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -58.21 -44.75 88.31 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 120.514 -1.366 . . . . 23.600000000000001 111.681 -179.777 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.54 -37.25 72.76 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 117.301 2.334 . . . . 26.34 117.301 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -31.84 19.21 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 127.998 2.519 . . . . 24.23 108.66 179.625 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 88' ' ' ILE . 84.4 t -72.02 -17.52 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 109.736 -0.468 . . . . 21.699999999999999 109.736 178.728 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -93.37 -50.25 5.54 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 125.905 1.682 . . . . 21.899999999999999 108.008 178.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.2 t -67.76 -26.69 66.24 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 119.39 0.996 . . . . 27.629999999999999 111.154 177.561 168.835 93.799 9.462 110.862 2.033 119.887 -161.913 -26.863 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.09 -28.04 54.39 Favored 'General case' 0 C--O 1.25 1.12 0 CA-C-O 117.134 -1.412 . . . . 26.010000000000002 109.746 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' A' ' 560' ' ' HOH . 4.7 mtpt -69.45 -28.26 65.96 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 127.648 3.092 . . . . 23.84 103.877 178.356 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 98' ' ' ILE . 19.2 tttm -81.9 -84.75 0.11 Allowed 'General case' 0 N--CA 1.477 0.881 0 O-C-N 126.68 2.488 . . . . 25.079999999999998 106.203 178.994 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . 0.584 ' CG2' ' N ' ' A' ' 99' ' ' VAL . 1.8 mt -6.01 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.984 1 CA-C-O 128.628 4.061 . . . . 32.479999999999997 113.763 178.701 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . 0.584 ' N ' ' CG2' ' A' ' 98' ' ' ILE . 3.8 m -46.23 -77.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 110.874 -2.876 . . . . 37.630000000000003 106.797 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 m -33.73 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 130.455 3.502 . . . . 54.770000000000003 120.236 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . 0.651 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 1.0 OUTLIER -71.3 58.73 0.26 Allowed 'General case' 0 C--O 1.255 1.393 0 C-N-CA 126.371 1.868 . . . . 40.289999999999999 107.89 178.105 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.0 -78.44 0.52 Allowed Glycine 0 CA--C 1.539 1.592 0 O-C-N 126.359 2.287 . . . . 38.350000000000001 112.019 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -12.58 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.251 1 C-N-CA 131.759 4.024 . . . . 37.659999999999997 118.774 179.203 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 134.49 -176.52 19.83 Favored Glycine 0 N--CA 1.47 0.933 0 N-CA-C 104.433 -3.467 . . . . 37.990000000000002 104.433 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . 0.648 ' O ' ' N ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -53.13 -28.05 23.8 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-O 124.15 1.929 . . . . 64.439999999999998 107.768 179.363 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . 0.612 ' ND2' ' O ' ' A' ' 571' ' ' HOH . 88.9 m-20 -33.11 53.99 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.994 1 C-N-CA 131.999 4.12 . . . . 44.640000000000001 114.656 179.604 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . 0.648 ' N ' ' O ' ' A' ' 105' ' ' MET . . . -157.78 -4.87 0.09 Allowed 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 127.044 2.138 . . . . 42.600000000000001 106.508 176.476 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . 0.446 ' NE1' ' O ' ' A' ' 56' ' ' LEU . 3.0 m-90 -100.06 122.34 42.78 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 106.668 -1.604 . . . . 38.530000000000001 106.668 179.048 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . 0.558 ' O ' ' N ' ' A' ' 113' ' ' ASN . 3.5 t -58.63 -50.41 79.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 114.021 -1.445 . . . . 35.170000000000002 109.659 -179.642 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . 0.506 ' O ' ' C ' ' A' ' 111' ' ' TRP . . . -64.43 -68.44 0.35 Allowed 'General case' 0 C--N 1.293 -1.884 2 O-C-N 129.409 4.193 . . . . 37.740000000000002 112.377 -179.841 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . 0.506 ' C ' ' O ' ' A' ' 110' ' ' ALA . 81.1 t90 -45.12 -65.8 0.48 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 102.084 -3.302 . . . . 40.030000000000001 102.084 178.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -83.36 0.01 OUTLIER 'General case' 0 C--O 1.263 1.769 0 O-C-N 126.904 2.627 . . . . 39.990000000000002 109.704 179.816 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' A' ' 109' ' ' VAL 0.252 1.6 t30 -80.99 57.3 3.05 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 116.237 1.94 . . . . 38.619999999999997 116.237 -176.882 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -173.04 -57.06 0.02 OUTLIER 'General case' 0 C--O 1.242 0.659 0 N-CA-C 113.325 0.861 . . . . 39.619999999999997 113.325 175.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.9 m -108.54 40.12 1.85 Allowed 'General case' 0 C--O 1.255 1.372 0 O-C-N 119.151 -2.218 . . . . 27.300000000000001 114.445 -177.311 -42.598 -111.901 -67.179 96.634 2.018 109.038 -98.501 -170.342 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 590' ' ' HOH . 35.6 ttpt -99.53 77.04 2.06 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 127.294 2.871 . . . . 31.48 113.305 -178.154 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 119' ' ' ASP . . . 110.95 -1.54 28.62 Favored Glycine 0 C--O 1.255 1.455 0 N-CA-C 120.948 3.139 . . . . 31.280000000000001 120.948 178.169 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 119' ' ' ASP . 0.2 OUTLIER -63.43 67.55 0.02 OUTLIER 'General case' 0 C--O 1.256 1.434 1 CA-C-N 126.313 5.056 . . . . 35.619999999999997 109.245 -179.179 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . 0.678 ' C ' ' O ' ' A' ' 118' ' ' THR 0.319 0.8 OUTLIER 21.25 84.2 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 128.337 3.923 . . . . 40.630000000000003 106.774 -176.993 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . 0.261 0.0 OUTLIER -13.17 -63.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.427 -1.613 1 C-N-CA 137.429 6.292 . . . . 35.460000000000001 118.108 178.054 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -31.41 -86.33 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 127.28 2.232 . . . . 36.729999999999997 107.174 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . 0.539 ' O ' ' CD ' ' A' ' 125' ' ' ARG . . . 12.78 -70.55 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.938 0 C-N-CA 131.2 3.8 . . . . 29.82 119.198 -179.322 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -59.94 -11.49 5.76 Favored 'General case' 0 C--O 1.251 1.164 0 O-C-N 117.941 -2.974 . . . . 31.77 117.292 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.66 0.02 9.73 Favored 'Isoleucine or valine' 0 C--O 1.257 1.449 0 C-N-CA 127.502 2.321 . . . . 32.939999999999998 108.543 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . 0.539 ' CD ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -93.63 165.75 12.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 113.605 -3.093 . . . . 31.100000000000001 106.353 -179.18 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 127' ' ' CYS . . . 91.34 -57.78 3.12 Favored Glycine 0 N--CA 1.486 2.009 1 O-C-N 129.82 4.45 . . . . 29.23 104.962 -178.911 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 126' ' ' GLY . 21.4 m -59.43 -179.78 0.09 Allowed 'General case' 0 C--O 1.249 1.06 0 N-CA-C 101.81 -3.404 . . . . 30.829999999999998 101.81 177.499 -48.216 -73.268 -72.446 101.642 2.025 109.216 -53.249 -55.563 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.32 -2.97 58.65 Favored 'General case' 0 C--O 1.242 0.693 1 O-C-N 130.01 4.569 . . . . 36.310000000000002 111.917 178.68 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.266 1.934 1 CA-C-O 111.499 -4.096 . . . . 40.869999999999997 108.897 177.365 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 550' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 560' ' ' HOH . . . . . 0.549 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 563' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 564' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 565' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 566' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 567' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 568' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 569' ' ' HOH . . . . . 0.555 ' O ' ' CD2' ' A' ' 75' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 570' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 571' ' ' HOH . . . . . 0.612 ' O ' ' ND2' ' A' ' 106' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 572' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 573' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 574' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 575' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 576' ' ' HOH . . . . . 0.472 ' O ' ' CD ' ' A' ' 68' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 577' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 578' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 579' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 580' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 581' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 582' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 583' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 584' ' ' HOH . . . . . 0.416 ' O ' ' CE ' ' A' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 585' ' ' HOH . . . . . 0.425 ' O ' ' CE ' ' A' ' 96' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 586' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 587' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 588' ' ' HOH . . . . . 0.433 ' O ' ' NH2' ' A' ' 125' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 589' ' ' HOH . . . . . 0.627 ' O ' ' N ' ' A' ' 88' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 590' ' ' HOH . . . . . 0.441 ' O ' ' NZ ' ' A' ' 116' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 591' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 592' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 593' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 594' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 595' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . 0.626 ' HB3' ' OG ' ' A' ' 86' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-O 117.925 -1.036 . . . . 32.780000000000001 108.827 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . 0.759 HG11 ' O ' ' A' ' 561' ' ' HOH . 1.9 t -106.89 122.65 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 127.785 3.178 . . . . 24.190000000000001 112.119 -178.66 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . 0.541 ' CD2' ' OE2' ' A' ' 7' ' ' GLU . 23.5 m-85 -82.28 -139.69 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.173 -2.158 . . . . 27.02 105.173 178.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.71 157.83 29.9 Favored Glycine 0 CA--C 1.533 1.176 1 N-CA-C 99.662 -5.375 . . . . 25.440000000000001 99.662 178.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . 0.524 ' HD3' ' O ' ' A' ' 550' ' ' HOH . 52.6 ttp85 -44.39 -49.21 9.76 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 125.576 1.398 . . . . 26.75 110.625 179.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -75.95 -45.14 36.5 Favored 'General case' 0 C--O 1.252 1.234 0 CA-C-O 112.814 -3.469 . . . . 31.890000000000001 114.517 -177.329 -55.563 -53.249 -72.446 109.216 2.025 101.642 -73.268 -48.216 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . 0.677 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 20.5 tt0 -52.69 -64.21 0.89 Allowed 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 103.798 -2.667 . . . . 28.030000000000001 103.798 179.186 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . 0.625 ' HG ' HG13 ' A' ' 29' ' ' VAL . 14.6 tp -35.16 -63.1 0.35 Allowed 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 126.712 2.005 . . . . 25.899999999999999 109.327 -177.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.92 -38.08 7.1 Favored 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 126.833 2.053 . . . . 24.489999999999998 109.02 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -70.57 -46.54 63.3 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.363 -1.29 . . . . 23.640000000000001 111.807 -179.495 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.17 -29.14 48.45 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.382 -1.281 . . . . 28.370000000000001 110.526 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . 0.727 ' CE ' HD11 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -67.34 -48.97 65.96 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 103.575 -2.75 . . . . 30.649999999999999 103.575 178.871 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . 0.78 ' HE2' ' O ' ' A' ' 584' ' ' HOH . 13.9 tttm -52.13 -54.21 33.43 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 116.456 2.021 . . . . 30.5 116.456 -178.361 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 3.8 ptt-85 -82.34 35.46 0.44 Allowed 'General case' 0 C--O 1.26 1.647 0 N-CA-C 116.366 1.987 . . . . 36.630000000000003 116.366 179.568 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . 0.638 ' HB3' HG11 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -141.89 -7.03 0.96 Allowed 'General case' 0 C--O 1.243 0.719 0 CA-C-O 117.496 -1.24 . . . . 29.170000000000002 107.702 178.878 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.34 -17.12 31.65 Favored Glycine 0 C--O 1.258 1.655 0 N-CA-C 121.771 3.469 . . . . 27.75 121.771 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' HG ' HG13 ' A' ' 92' ' ' VAL . 38.2 mt -71.46 -3.34 20.5 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.317 2.059 . . . . 25.050000000000001 112.183 -179.367 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . 0.774 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -64.52 76.78 0.04 OUTLIER 'General case' 0 C--O 1.259 1.57 0 C-N-CA 126.471 1.909 . . . . 30.949999999999999 109.722 179.913 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . 0.774 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 28.2 m120 79.12 67.79 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 119.127 -1.029 . . . . 29.32 110.293 -178.377 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . 0.641 ' HD2' ' O ' ' A' ' 575' ' ' HOH . 11.6 t80 -118.84 115.74 25.04 Favored 'General case' 0 N--CA 1.444 -0.746 1 CA-C-O 130.408 4.908 . . . . 35.399999999999999 118.477 -177.151 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 55.05 54.64 8.65 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 109.617 -3.447 . . . . 30.670000000000002 103.218 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 23' ' ' TYR . . . 55.31 57.92 16.27 Favored Glycine 0 N--CA 1.43 -1.735 0 O-C-N 128.897 3.873 . . . . 25.640000000000001 116.826 -178.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 22' ' ' GLY 0.428 0.0 OUTLIER -163.53 92.83 0.73 Allowed 'General case' 0 N--CA 1.51 2.546 1 CA-C-O 129.03 4.252 . . . . 34.950000000000003 107.175 176.601 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.0 t -23.41 161.82 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.89 1 C-N-CA 135.052 5.341 . . . . 26.739999999999998 113.019 -178.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 12' ' ' MET . 53.4 tp -73.45 -41.32 63.36 Favored 'General case' 0 C--O 1.252 1.187 0 O-C-N 126.446 2.341 . . . . 22.02 108.559 -178.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.17 -41.87 31.11 Favored Glycine 0 N--CA 1.482 1.702 0 O-C-N 126.422 2.326 . . . . 19.899999999999999 108.463 -179.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . 0.82 HD21 ' HE1' ' A' ' 111' ' ' TRP . 5.8 m120 -55.82 -34.73 65.63 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 115.013 -2.423 . . . . 23.550000000000001 112.062 -178.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . 0.561 ' HB3' ' HE2' ' A' ' 12' ' ' MET . 95.9 m95 -80.85 -47.35 13.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 127.909 3.256 . . . . 19.59 112.199 -176.136 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . 0.625 HG13 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -63.22 -41.96 94.71 Favored 'Isoleucine or valine' 0 C--O 1.258 1.524 0 O-C-N 127.73 3.144 . . . . 15.949999999999999 106.42 179.321 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 32.3 t -60.55 -50.11 74.84 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 124.191 0.932 . . . . 22.989999999999998 111.838 179.02 -170.342 -98.501 -67.179 109.038 2.018 96.634 -111.901 -42.598 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.26 -40.83 62.25 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 127.809 3.193 . . . . 15.869999999999999 109.088 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -63.58 -41.33 98.38 Favored 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 127.66 3.1 . . . . 18.170000000000002 114.999 -179.222 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -62.22 -45.73 92.05 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 117.173 -1.394 . . . . 27.609999999999999 109.283 -178.621 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.77 -18.99 33.31 Favored 'General case' 0 C--O 1.256 1.411 0 N-CA-C 121.168 3.766 . . . . 31.460000000000001 121.168 -176.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . 0.784 ' HG2' ' HG3' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -105.82 -12.71 15.77 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 115.873 -2.013 . . . . 39.93 114.333 -179.357 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.6 p -144.43 -16.71 0.56 Allowed 'General case' 0 N--CA 1.486 1.355 0 O-C-N 126.487 2.367 . . . . 29.82 114.47 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 67.99 37.25 3.09 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.455 -0.778 . . . . 36.82 109.238 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 33' ' ' LYS . 33.5 m-85 61.19 17.12 7.85 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 119.002 2.964 . . . . 31.09 119.002 179.027 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . 0.727 ' HB3' ' O ' ' A' ' 593' ' ' HOH . 44.5 t30 -108.56 117.62 34.65 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 126.074 2.845 . . . . 33.640000000000001 113.279 179.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -68.19 -22.61 64.81 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 112.8 -2.0 . . . . 30.68 114.055 -178.834 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.39 32.55 1.05 Allowed 'General case' 0 C--N 1.307 -1.26 0 O-C-N 124.808 1.318 . . . . 34.920000000000002 109.828 179.416 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.32 96.94 10.92 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 116.733 2.123 . . . . 32.960000000000001 116.733 -176.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.3 p -84.85 151.05 24.59 Favored 'General case' 0 C--O 1.244 0.784 0 O-C-N 128.211 3.444 . . . . 36.420000000000002 104.743 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . 0.656 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . 43.9 t30 -155.41 101.71 2.21 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 101.44 -3.541 . . . . 35.670000000000002 101.44 -178.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . 0.669 ' HG2' HH11 ' A' ' 45' ' ' ARG . 7.1 mtp85 -87.64 104.75 16.82 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 117.074 2.25 . . . . 46.049999999999997 117.074 -179.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.57 174.36 1.36 Allowed 'General case' 0 N--CA 1.475 0.777 0 O-C-N 128.934 3.896 . . . . 34.030000000000001 107.187 178.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.66 -55.73 8.06 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 124.365 1.041 . . . . 33.939999999999998 112.807 -179.464 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -52.36 -12.98 0.3 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 114.542 -2.647 . . . . 31.600000000000001 111.516 -175.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.56 -27.54 11.22 Favored Glycine 0 C--O 1.258 1.643 1 O-C-N 129.692 4.37 . . . . 31.890000000000001 108.667 179.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . 0.805 ' HB2' ' OG ' ' A' ' 60' ' ' SER . 9.5 p -57.97 166.53 1.47 Allowed 'General case' 0 C--O 1.259 1.567 0 O-C-N 126.939 2.199 . . . . 30.440000000000001 105.495 177.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . 0.495 ' HB ' ' CZ ' ' A' ' 53' ' ' TYR . 3.7 m -142.42 162.95 34.15 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 113.237 -1.801 . . . . 23.920000000000002 112.506 -177.525 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . 0.656 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . 2.6 m-20 -110.57 123.91 50.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 110.034 -3.257 . . . . 22.960000000000001 105.256 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . 0.515 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 5.1 m-85 -127.56 157.73 39.37 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 126.428 2.33 . . . . 23.07 107.352 177.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.57 173.67 49.67 Favored Glycine 0 N--CA 1.437 -1.255 0 CA-C-N 111.543 -2.571 . . . . 26.949999999999999 119.144 175.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . 0.538 HD13 ' OG1' ' A' ' 40' ' ' THR . 1.5 tp -51.54 -48.5 35.52 Favored 'Isoleucine or valine' 0 C--O 1.262 1.756 1 CA-C-N 105.614 -5.293 . . . . 25.780000000000001 107.822 -179.53 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . 0.727 HD11 ' CE ' ' A' ' 12' ' ' MET . 15.1 mt -98.48 16.2 22.5 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 126.004 2.065 . . . . 26.84 115.719 -177.208 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . 0.784 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 67.3 mm-40 46.23 37.67 4.26 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 119.212 3.041 . . . . 24.41 119.212 177.663 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . 0.543 ' CG2' ' HB2' ' A' ' 63' ' ' TRP . 4.2 mp -53.15 138.18 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 O-C-N 120.454 -1.404 . . . . 24.879999999999999 110.459 178.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -83.87 149.2 26.52 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 125.272 1.429 . . . . 27.399999999999999 109.589 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . 0.805 ' OG ' ' HB2' ' A' ' 50' ' ' SER . 38.7 p -78.3 -39.68 39.12 Favored 'General case' 0 C--O 1.254 1.293 0 N-CA-C 117.934 2.568 . . . . 28.09 117.934 -177.911 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . 0.708 ' HG2' HG23 ' A' ' 69' ' ' THR . 42.4 mtp85 -72.3 -12.78 61.29 Favored 'General case' 0 C--N 1.313 -1.013 1 CA-C-O 111.533 -4.08 . . . . 35.039999999999999 112.127 179.107 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . 0.758 ' CD1' ' HG3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -128.17 -16.31 4.53 Favored 'General case' 0 C--O 1.258 1.534 1 CA-C-O 111.186 -4.245 . . . . 36.82 113.956 -178.734 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . 0.543 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . 33.6 m95 -128.18 -22.49 3.43 Favored 'General case' 0 C--O 1.255 1.363 0 O-C-N 128.682 3.739 . . . . 27.649999999999999 120.413 -179.609 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.84 -161.2 1.11 Allowed 'General case' 0 C--O 1.248 1.002 0 O-C-N 128.846 3.841 . . . . 26.379999999999999 111.099 -178.571 69.889 80.702 98.544 110.599 2.048 105.773 -58.318 -57.178 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -147.33 131.53 17.4 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 114.312 -1.313 . . . . 26.52 111.782 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' OD2' ' CE1' ' A' ' 53' ' ' TYR . 27.4 p30 -146.66 -3.47 0.61 Allowed 'General case' 0 C--O 1.247 0.965 0 C-N-CA 126.254 1.821 . . . . 32.549999999999997 113.043 -176.604 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . 0.638 ' O ' ' HG2' ' A' ' 68' ' ' ARG . . . 50.28 124.61 0.0 OUTLIER Glycine 0 N--CA 1.475 1.242 1 CA-C-O 129.483 4.935 . . . . 32.479999999999997 108.545 178.021 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . 0.718 HH11 ' HG3' ' A' ' 68' ' ' ARG . 11.6 ptt85 93.64 94.24 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.546 2 N-CA-C 95.484 -5.746 . . . . 36.170000000000002 95.484 -161.003 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . 0.918 ' CG2' ' HB2' ' A' ' 72' ' ' SER . 1.2 m 170.04 79.01 0.03 OUTLIER Pre-proline 0 C--N 1.356 0.861 2 CA-C-N 105.847 -5.161 . . . . 37.689999999999998 112.377 175.242 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . 0.877 ' HB3' ' O ' ' A' ' 586' ' ' HOH . 0.0 OUTLIER -36.82 48.77 0.0 OUTLIER 'Trans proline' 0 C--O 1.267 1.945 1 O-C-N 131.277 5.356 . . . . 40.229999999999997 117.92 -179.289 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 69' ' ' THR . . . 128.05 38.94 0.36 Allowed Glycine 0 C--O 1.254 1.366 0 O-C-N 127.039 2.712 . . . . 38.520000000000003 115.103 178.062 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . 0.918 ' HB2' ' CG2' ' A' ' 69' ' ' THR . 29.5 t -59.92 113.47 2.32 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 125.018 2.342 . . . . 37.880000000000003 111.973 179.201 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . 0.758 ' HG3' ' CD1' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -76.83 -11.4 59.82 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 126.492 1.917 . . . . 48.780000000000001 111.835 -179.027 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 74' ' ' ASN . 49.8 t-20 24.88 51.3 0.02 OUTLIER 'General case' 0 C--O 1.268 2.079 0 N-CA-C 120.306 3.447 . . . . 33.18 120.306 178.637 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . 0.555 ' CD2' ' O ' ' A' ' 569' ' ' HOH . 93.9 mt -49.89 -2.22 0.01 OUTLIER 'General case' 0 C--O 1.27 2.162 0 N-CA-C 120.675 3.583 . . . . 28.989999999999998 120.675 179.663 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 63' ' ' TRP . 0.8 OUTLIER -110.21 -16.54 13.74 Favored 'General case' 0 C--O 1.246 0.9 0 O-C-N 117.751 -3.093 . . . . 30.530000000000001 106.535 -177.689 -26.863 -161.913 9.462 119.887 2.033 110.862 93.799 168.835 3 3 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 54.71 55.75 7.53 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 103.782 -2.673 . . . . 32.719999999999999 103.782 -177.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.26 135.78 21.54 Favored Pre-proline 0 N--CA 1.473 0.678 0 O-C-N 126.486 2.366 . . . . 28.789999999999999 109.803 179.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.9 137.5 19.84 Favored 'Trans proline' 0 C--O 1.268 2.004 0 N-CA-C 105.507 -2.536 . . . . 27.149999999999999 105.507 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . 0.665 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 63.7 m -56.23 -26.81 52.64 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 120.826 -1.171 . . . . 25.899999999999999 110.576 -177.518 -57.178 -58.318 98.544 105.773 2.048 110.599 80.702 69.889 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 p -55.62 -37.33 68.02 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 127.52 2.328 . . . . 27.449999999999999 115.389 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.44 -29.01 69.05 Favored 'General case' 0 C--O 1.255 1.359 0 C-N-CA 124.795 1.238 . . . . 28.75 113.765 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -72.31 -45.66 59.03 Favored 'General case' 0 C--O 1.208 -1.124 0 C-N-CA 126.103 1.761 . . . . 30.219999999999999 108.073 -179.143 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . 0.515 ' CD2' ' HB3' ' A' ' 53' ' ' TYR . 21.3 mt -53.76 -37.61 63.57 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 126.885 2.616 . . . . 28.219999999999999 112.509 178.503 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . 0.579 ' O ' ' N ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -68.22 133.61 49.12 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 126.545 2.403 . . . . 28.440000000000001 111.526 179.346 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . 0.626 ' OG ' ' HB3' ' A' ' 1' ' ' LYS . 26.8 m -42.48 -8.22 0.01 OUTLIER 'General case' 0 C--O 1.25 1.106 0 CA-C-O 112.567 -3.587 . . . . 30.739999999999998 113.238 -177.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -75.02 156.16 36.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 128.358 3.536 . . . . 34.460000000000001 107.437 178.707 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . 0.954 HG12 ' O ' ' A' ' 589' ' ' HOH . 1.8 pt -120.69 1.14 7.15 Favored 'Isoleucine or valine' 0 C--O 1.25 1.124 0 CA-C-N 121.509 1.959 . . . . 27.399999999999999 108.426 176.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -44.75 88.31 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 120.514 -1.366 . . . . 23.600000000000001 111.681 -179.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.54 -37.25 72.76 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 117.301 2.334 . . . . 26.34 117.301 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -31.84 19.21 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 127.998 2.519 . . . . 24.23 108.66 179.625 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 88' ' ' ILE . 84.4 t -72.02 -17.52 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 109.736 -0.468 . . . . 21.699999999999999 109.736 178.728 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . 0.455 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 1.3 m-20 -93.37 -50.25 5.54 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 125.905 1.682 . . . . 21.899999999999999 108.008 178.003 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.2 t -67.76 -26.69 66.24 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 119.39 0.996 . . . . 27.629999999999999 111.154 177.561 168.835 93.799 9.462 110.862 2.033 119.887 -161.913 -26.863 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.09 -28.04 54.39 Favored 'General case' 0 C--O 1.25 1.12 0 CA-C-O 117.134 -1.412 . . . . 26.010000000000002 109.746 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . 0.796 ' HD2' ' O ' ' A' ' 560' ' ' HOH . 4.7 mtpt -69.45 -28.26 65.96 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 127.648 3.092 . . . . 23.84 103.877 178.356 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 98' ' ' ILE . 19.2 tttm -81.9 -84.75 0.11 Allowed 'General case' 0 N--CA 1.477 0.881 0 O-C-N 126.68 2.488 . . . . 25.079999999999998 106.203 178.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . 0.81 HG22 ' N ' ' A' ' 99' ' ' VAL . 1.8 mt -6.01 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.984 1 CA-C-O 128.628 4.061 . . . . 32.479999999999997 113.763 178.701 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . 0.81 ' N ' HG22 ' A' ' 98' ' ' ILE . 3.8 m -46.23 -77.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 110.874 -2.876 . . . . 37.630000000000003 106.797 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 m -33.73 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 130.455 3.502 . . . . 54.770000000000003 120.236 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . 0.651 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 1.0 OUTLIER -71.3 58.73 0.26 Allowed 'General case' 0 C--O 1.255 1.393 0 C-N-CA 126.371 1.868 . . . . 40.289999999999999 107.89 178.105 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.0 -78.44 0.52 Allowed Glycine 0 CA--C 1.539 1.592 0 O-C-N 126.359 2.287 . . . . 38.350000000000001 112.019 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . 0.441 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 6.8 m-20 -12.58 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.251 1 C-N-CA 131.759 4.024 . . . . 37.659999999999997 118.774 179.203 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 134.49 -176.52 19.83 Favored Glycine 0 N--CA 1.47 0.933 0 N-CA-C 104.433 -3.467 . . . . 37.990000000000002 104.433 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . 0.648 ' O ' ' N ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -53.13 -28.05 23.8 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-O 124.15 1.929 . . . . 64.439999999999998 107.768 179.363 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . 0.612 ' ND2' ' O ' ' A' ' 571' ' ' HOH . 88.9 m-20 -33.11 53.99 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.994 1 C-N-CA 131.999 4.12 . . . . 44.640000000000001 114.656 179.604 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . 0.648 ' N ' ' O ' ' A' ' 105' ' ' MET . . . -157.78 -4.87 0.09 Allowed 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 127.044 2.138 . . . . 42.600000000000001 106.508 176.476 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . 0.732 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 3.0 m-90 -100.06 122.34 42.78 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 106.668 -1.604 . . . . 38.530000000000001 106.668 179.048 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 113' ' ' ASN . 3.5 t -58.63 -50.41 79.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 114.021 -1.445 . . . . 35.170000000000002 109.659 -179.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . 0.506 ' O ' ' C ' ' A' ' 111' ' ' TRP . . . -64.43 -68.44 0.35 Allowed 'General case' 0 C--N 1.293 -1.884 2 O-C-N 129.409 4.193 . . . . 37.740000000000002 112.377 -179.841 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . 0.82 ' HE1' HD21 ' A' ' 27' ' ' ASN . 81.1 t90 -45.12 -65.8 0.48 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 102.084 -3.302 . . . . 40.030000000000001 102.084 178.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . 0.732 ' HB2' ' O ' ' A' ' 108' ' ' TRP . 0.0 OUTLIER -49.91 -83.36 0.01 OUTLIER 'General case' 0 C--O 1.263 1.769 0 O-C-N 126.904 2.627 . . . . 39.990000000000002 109.704 179.816 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 109' ' ' VAL 0.252 1.6 t30 -80.99 57.3 3.05 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 116.237 1.94 . . . . 38.619999999999997 116.237 -176.882 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 110' ' ' ALA . 2.7 tpm_? -173.04 -57.06 0.02 OUTLIER 'General case' 0 C--O 1.242 0.659 0 N-CA-C 113.325 0.861 . . . . 39.619999999999997 113.325 175.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.9 m -108.54 40.12 1.85 Allowed 'General case' 0 C--O 1.255 1.372 0 O-C-N 119.151 -2.218 . . . . 27.300000000000001 114.445 -177.311 -42.598 -111.901 -67.179 96.634 2.018 109.038 -98.501 -170.342 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -99.53 77.04 2.06 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 127.294 2.871 . . . . 31.48 113.305 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . 0.586 ' O ' ' N ' ' A' ' 119' ' ' ASP . . . 110.95 -1.54 28.62 Favored Glycine 0 C--O 1.255 1.455 0 N-CA-C 120.948 3.139 . . . . 31.280000000000001 120.948 178.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 119' ' ' ASP . 0.2 OUTLIER -63.43 67.55 0.02 OUTLIER 'General case' 0 C--O 1.256 1.434 1 CA-C-N 126.313 5.056 . . . . 35.619999999999997 109.245 -179.179 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . 0.678 ' C ' ' O ' ' A' ' 118' ' ' THR 0.319 0.8 OUTLIER 21.25 84.2 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 128.337 3.923 . . . . 40.630000000000003 106.774 -176.993 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . 0.564 HG12 ' OD1' ' A' ' 27' ' ' ASN 0.261 0.0 OUTLIER -13.17 -63.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.427 -1.613 1 C-N-CA 137.429 6.292 . . . . 35.460000000000001 118.108 178.054 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -31.41 -86.33 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 127.28 2.232 . . . . 36.729999999999997 107.174 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . 0.953 ' O ' ' HD3' ' A' ' 125' ' ' ARG . . . 12.78 -70.55 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.938 0 C-N-CA 131.2 3.8 . . . . 29.82 119.198 -179.322 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -59.94 -11.49 5.76 Favored 'General case' 0 C--O 1.251 1.164 0 O-C-N 117.941 -2.974 . . . . 31.77 117.292 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . 0.533 HG13 ' CD2' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -108.66 0.02 9.73 Favored 'Isoleucine or valine' 0 C--O 1.257 1.449 0 C-N-CA 127.502 2.321 . . . . 32.939999999999998 108.543 178.797 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . 0.953 ' HD3' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -93.63 165.75 12.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 113.605 -3.093 . . . . 31.100000000000001 106.353 -179.18 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . 0.454 ' N ' ' HG2' ' A' ' 125' ' ' ARG . . . 91.34 -57.78 3.12 Favored Glycine 0 N--CA 1.486 2.009 1 O-C-N 129.82 4.45 . . . . 29.23 104.962 -178.911 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 127' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 126' ' ' GLY . 21.4 m -59.43 -179.78 0.09 Allowed 'General case' 0 C--O 1.249 1.06 0 N-CA-C 101.81 -3.404 . . . . 30.829999999999998 101.81 177.499 -48.216 -73.268 -72.446 101.642 2.025 109.216 -53.249 -55.563 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -89.32 -2.97 58.65 Favored 'General case' 0 C--O 1.242 0.693 1 O-C-N 130.01 4.569 . . . . 36.310000000000002 111.917 178.68 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . 0.533 ' CD2' HG13 ' A' ' 124' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.266 1.934 1 CA-C-O 111.499 -4.096 . . . . 40.869999999999997 108.897 177.365 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 550' ' ' HOH . . . . . 0.524 ' O ' ' HD3' ' A' ' 5' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 553' ' ' HOH . . . . . 0.594 ' O ' ' HH2' ' A' ' 111' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 560' ' ' HOH . . . . . 0.796 ' O ' ' HD2' ' A' ' 96' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 561' ' ' HOH . . . . . 0.759 ' O ' HG11 ' A' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 563' ' ' HOH . . . . . 0.581 ' O ' HD13 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 564' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 565' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 566' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 567' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 568' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 569' ' ' HOH . . . . . 0.555 ' O ' ' CD2' ' A' ' 75' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 570' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 571' ' ' HOH . . . . . 0.612 ' O ' ' ND2' ' A' ' 106' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 572' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 573' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 574' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 575' ' ' HOH . . . . . 0.641 ' O ' ' HD2' ' A' ' 20' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 576' ' ' HOH . . . . . 0.621 ' O ' ' HD3' ' A' ' 68' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 577' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 578' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 579' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 580' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 581' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 582' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 583' ' ' HOH . . . . . 0.55 ' O ' ' HG2' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 584' ' ' HOH . . . . . 0.78 ' O ' ' HE2' ' A' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 585' ' ' HOH . . . . . 0.425 ' O ' ' CE ' ' A' ' 96' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 586' ' ' HOH . . . . . 0.877 ' O ' ' HB3' ' A' ' 70' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 587' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 588' ' ' HOH . . . . . 0.416 ' O ' ' NH2' ' A' ' 125' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 589' ' ' HOH . . . . . 0.954 ' O ' HG12 ' A' ' 88' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 590' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 591' ' ' HOH . . . . . 0.423 ' O ' HD21 ' A' ' 129' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 592' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 593' ' ' HOH . . . . . 0.727 ' O ' ' HB3' ' A' ' 39' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 594' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 595' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.626 ' HB3' ' OG ' ' A' ' 86' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-O 117.925 -1.036 . . . . 32.780000000000001 108.827 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.759 HG11 ' O ' ' A' ' 561' ' ' HOH . 1.9 t -106.89 122.65 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 127.785 3.178 . . . . 24.190000000000001 112.119 -178.66 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.541 ' CD2' ' OE2' ' A' ' 7' ' ' GLU . 23.5 m-85 -82.28 -139.69 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.173 -2.158 . . . . 27.02 105.173 178.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.71 157.83 29.9 Favored Glycine 0 CA--C 1.533 1.176 1 N-CA-C 99.662 -5.375 . . . . 25.440000000000001 99.662 178.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.524 ' HD3' ' O ' ' A' ' 550' ' ' HOH . 52.6 ttp85 -44.39 -49.21 9.76 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 125.576 1.398 . . . . 26.75 110.625 179.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -75.95 -45.14 36.5 Favored 'General case' 0 C--O 1.252 1.234 0 CA-C-O 112.814 -3.469 . . . . 31.890000000000001 114.517 -177.329 -55.563 -53.249 -72.446 109.216 2.025 101.642 -73.268 -48.216 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.677 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 20.5 tt0 -52.69 -64.21 0.89 Allowed 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 103.798 -2.667 . . . . 28.030000000000001 103.798 179.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.625 ' HG ' HG13 ' A' ' 29' ' ' VAL . 14.6 tp -35.16 -63.1 0.35 Allowed 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 126.712 2.005 . . . . 25.899999999999999 109.327 -177.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.92 -38.08 7.1 Favored 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 126.833 2.053 . . . . 24.489999999999998 109.02 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -70.57 -46.54 63.3 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.363 -1.29 . . . . 23.640000000000001 111.807 -179.495 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.17 -29.14 48.45 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.382 -1.281 . . . . 28.370000000000001 110.526 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . 0.727 ' CE ' HD11 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -67.34 -48.97 65.96 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 103.575 -2.75 . . . . 30.649999999999999 103.575 178.871 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.78 ' HE2' ' O ' ' A' ' 584' ' ' HOH . 13.9 tttm -52.13 -54.21 33.43 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 116.456 2.021 . . . . 30.5 116.456 -178.361 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 3.8 ptt-85 -82.34 35.46 0.44 Allowed 'General case' 0 C--O 1.26 1.647 0 N-CA-C 116.366 1.987 . . . . 36.630000000000003 116.366 179.568 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.638 ' HB3' HG11 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -141.89 -7.03 0.96 Allowed 'General case' 0 C--O 1.243 0.719 0 CA-C-O 117.496 -1.24 . . . . 29.170000000000002 107.702 178.878 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.34 -17.12 31.65 Favored Glycine 0 C--O 1.258 1.655 0 N-CA-C 121.771 3.469 . . . . 27.75 121.771 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' HG ' HG13 ' A' ' 92' ' ' VAL . 38.2 mt -71.46 -3.34 20.5 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.317 2.059 . . . . 25.050000000000001 112.183 -179.367 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.774 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -64.52 76.78 0.04 OUTLIER 'General case' 0 C--O 1.259 1.57 0 C-N-CA 126.471 1.909 . . . . 30.949999999999999 109.722 179.913 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.774 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 28.2 m120 79.12 67.79 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 119.127 -1.029 . . . . 29.32 110.293 -178.377 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.641 ' HD2' ' O ' ' A' ' 575' ' ' HOH . 11.6 t80 -118.84 115.74 25.04 Favored 'General case' 0 N--CA 1.444 -0.746 1 CA-C-O 130.408 4.908 . . . . 35.399999999999999 118.477 -177.151 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 55.05 54.64 8.65 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 109.617 -3.447 . . . . 30.670000000000002 103.218 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 23' ' ' TYR . . . 55.31 57.92 16.27 Favored Glycine 0 N--CA 1.43 -1.735 0 O-C-N 128.897 3.873 . . . . 25.640000000000001 116.826 -178.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.452 ' CB ' ' O ' ' A' ' 22' ' ' GLY 0.428 0.0 OUTLIER -163.53 92.83 0.73 Allowed 'General case' 0 N--CA 1.51 2.546 1 CA-C-O 129.03 4.252 . . . . 34.950000000000003 107.175 176.601 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . 0.516 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 30.0 t -23.41 161.82 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.89 1 C-N-CA 135.052 5.341 . . . . 26.739999999999998 113.019 -178.505 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 12' ' ' MET . 53.4 tp -73.45 -41.32 63.36 Favored 'General case' 0 C--O 1.252 1.187 0 O-C-N 126.446 2.341 . . . . 22.02 108.559 -178.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.17 -41.87 31.11 Favored Glycine 0 N--CA 1.482 1.702 0 O-C-N 126.422 2.326 . . . . 19.899999999999999 108.463 -179.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.759 ' HB3' ' HE1' ' A' ' 111' ' ' TRP . 2.1 m-80 -55.82 -34.73 65.63 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 115.013 -2.423 . . . . 23.550000000000001 112.062 -178.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.561 ' HB3' ' HE2' ' A' ' 12' ' ' MET . 95.9 m95 -80.85 -47.35 13.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 127.909 3.256 . . . . 19.59 112.199 -176.136 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.625 HG13 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -63.22 -41.96 94.71 Favored 'Isoleucine or valine' 0 C--O 1.258 1.524 0 O-C-N 127.73 3.144 . . . . 15.949999999999999 106.42 179.321 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 32.3 t -60.55 -50.11 74.84 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 124.191 0.932 . . . . 22.989999999999998 111.838 179.02 -170.342 -98.501 -67.179 109.038 2.018 96.634 -111.901 -42.598 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.26 -40.83 62.25 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 127.809 3.193 . . . . 15.869999999999999 109.088 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -63.58 -41.33 98.38 Favored 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 127.66 3.1 . . . . 18.170000000000002 114.999 -179.222 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -62.22 -45.73 92.05 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 117.173 -1.394 . . . . 27.609999999999999 109.283 -178.621 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.77 -18.99 33.31 Favored 'General case' 0 C--O 1.256 1.411 0 N-CA-C 121.168 3.766 . . . . 31.460000000000001 121.168 -176.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.784 ' HG2' ' HG3' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -105.82 -12.71 15.77 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 115.873 -2.013 . . . . 39.93 114.333 -179.357 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.6 p -144.43 -16.71 0.56 Allowed 'General case' 0 N--CA 1.486 1.355 0 O-C-N 126.487 2.367 . . . . 29.82 114.47 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 67.99 37.25 3.09 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.455 -0.778 . . . . 36.82 109.238 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 33' ' ' LYS . 33.5 m-85 61.19 17.12 7.85 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 119.002 2.964 . . . . 31.09 119.002 179.027 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.727 ' HB3' ' O ' ' A' ' 593' ' ' HOH . 44.5 t30 -108.56 117.62 34.65 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 126.074 2.845 . . . . 33.640000000000001 113.279 179.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -68.19 -22.61 64.81 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 112.8 -2.0 . . . . 30.68 114.055 -178.834 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.39 32.55 1.05 Allowed 'General case' 0 C--N 1.307 -1.26 0 O-C-N 124.808 1.318 . . . . 34.920000000000002 109.828 179.416 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.32 96.94 10.92 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 116.733 2.123 . . . . 32.960000000000001 116.733 -176.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.3 p -84.85 151.05 24.59 Favored 'General case' 0 C--O 1.244 0.784 0 O-C-N 128.211 3.444 . . . . 36.420000000000002 104.743 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.656 ' HB3' ' HB2' ' A' ' 52' ' ' ASP . 43.9 t30 -155.41 101.71 2.21 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 101.44 -3.541 . . . . 35.670000000000002 101.44 -178.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.669 ' HG2' HH11 ' A' ' 45' ' ' ARG . 7.1 mtp85 -87.64 104.75 16.82 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 117.074 2.25 . . . . 46.049999999999997 117.074 -179.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.57 174.36 1.36 Allowed 'General case' 0 N--CA 1.475 0.777 0 O-C-N 128.934 3.896 . . . . 34.030000000000001 107.187 178.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.66 -55.73 8.06 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 124.365 1.041 . . . . 33.939999999999998 112.807 -179.464 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -52.36 -12.98 0.3 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 114.542 -2.647 . . . . 31.600000000000001 111.516 -175.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.56 -27.54 11.22 Favored Glycine 0 C--O 1.258 1.643 1 O-C-N 129.692 4.37 . . . . 31.890000000000001 108.667 179.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . 0.805 ' HB2' ' OG ' ' A' ' 60' ' ' SER . 9.5 p -57.97 166.53 1.47 Allowed 'General case' 0 C--O 1.259 1.567 0 O-C-N 126.939 2.199 . . . . 30.440000000000001 105.495 177.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . 0.495 ' HB ' ' CZ ' ' A' ' 53' ' ' TYR . 3.7 m -142.42 162.95 34.15 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 113.237 -1.801 . . . . 23.920000000000002 112.506 -177.525 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.656 ' HB2' ' HB3' ' A' ' 44' ' ' ASN . 2.6 m-20 -110.57 123.91 50.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 110.034 -3.257 . . . . 22.960000000000001 105.256 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.515 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 5.1 m-85 -127.56 157.73 39.37 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 126.428 2.33 . . . . 23.07 107.352 177.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.57 173.67 49.67 Favored Glycine 0 N--CA 1.437 -1.255 0 CA-C-N 111.543 -2.571 . . . . 26.949999999999999 119.144 175.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.538 HD13 ' OG1' ' A' ' 40' ' ' THR . 1.5 tp -51.54 -48.5 35.52 Favored 'Isoleucine or valine' 0 C--O 1.262 1.756 1 CA-C-N 105.614 -5.293 . . . . 25.780000000000001 107.822 -179.53 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.727 HD11 ' CE ' ' A' ' 12' ' ' MET . 15.1 mt -98.48 16.2 22.5 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 126.004 2.065 . . . . 26.84 115.719 -177.208 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.784 ' HG3' ' HG2' ' A' ' 35' ' ' GLU . 67.3 mm-40 46.23 37.67 4.26 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 119.212 3.041 . . . . 24.41 119.212 177.663 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.543 ' CG2' ' HB2' ' A' ' 63' ' ' TRP . 4.2 mp -53.15 138.18 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 O-C-N 120.454 -1.404 . . . . 24.879999999999999 110.459 178.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -83.87 149.2 26.52 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 125.272 1.429 . . . . 27.399999999999999 109.589 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . 0.805 ' OG ' ' HB2' ' A' ' 50' ' ' SER . 38.7 p -78.3 -39.68 39.12 Favored 'General case' 0 C--O 1.254 1.293 0 N-CA-C 117.934 2.568 . . . . 28.09 117.934 -177.911 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.708 ' HG2' HG23 ' A' ' 69' ' ' THR . 42.4 mtp85 -72.3 -12.78 61.29 Favored 'General case' 0 C--N 1.313 -1.013 1 CA-C-O 111.533 -4.08 . . . . 35.039999999999999 112.127 179.107 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.758 ' CD1' ' HG3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -128.17 -16.31 4.53 Favored 'General case' 0 C--O 1.258 1.534 1 CA-C-O 111.186 -4.245 . . . . 36.82 113.956 -178.734 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.543 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . 33.6 m95 -128.18 -22.49 3.43 Favored 'General case' 0 C--O 1.255 1.363 0 O-C-N 128.682 3.739 . . . . 27.649999999999999 120.413 -179.609 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.84 -161.2 1.11 Allowed 'General case' 0 C--O 1.248 1.002 0 O-C-N 128.846 3.841 . . . . 26.379999999999999 111.099 -178.571 69.889 80.702 98.544 110.599 2.048 105.773 -58.318 -57.178 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -147.33 131.53 17.4 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 114.312 -1.313 . . . . 26.52 111.782 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' OD2' ' CE1' ' A' ' 53' ' ' TYR . 27.4 p30 -146.66 -3.47 0.61 Allowed 'General case' 0 C--O 1.247 0.965 0 C-N-CA 126.254 1.821 . . . . 32.549999999999997 113.043 -176.604 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.638 ' O ' ' HG2' ' A' ' 68' ' ' ARG . . . 50.28 124.61 0.0 OUTLIER Glycine 0 N--CA 1.475 1.242 1 CA-C-O 129.483 4.935 . . . . 32.479999999999997 108.545 178.021 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.718 HH11 ' HG3' ' A' ' 68' ' ' ARG . 11.6 ptt85 93.64 94.24 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.546 2 N-CA-C 95.484 -5.746 . . . . 36.170000000000002 95.484 -161.003 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . 0.918 ' CG2' ' HB2' ' A' ' 72' ' ' SER . 1.2 m 170.04 79.01 0.03 OUTLIER Pre-proline 0 C--N 1.356 0.861 2 CA-C-N 105.847 -5.161 . . . . 37.689999999999998 112.377 175.242 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.877 ' HB3' ' O ' ' A' ' 586' ' ' HOH . 0.0 OUTLIER -36.82 48.77 0.0 OUTLIER 'Trans proline' 0 C--O 1.267 1.945 1 O-C-N 131.277 5.356 . . . . 40.229999999999997 117.92 -179.289 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 69' ' ' THR . . . 128.05 38.94 0.36 Allowed Glycine 0 C--O 1.254 1.366 0 O-C-N 127.039 2.712 . . . . 38.520000000000003 115.103 178.062 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . 0.918 ' HB2' ' CG2' ' A' ' 69' ' ' THR . 29.5 t -59.92 113.47 2.32 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 125.018 2.342 . . . . 37.880000000000003 111.973 179.201 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.758 ' HG3' ' CD1' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -76.83 -11.4 59.82 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 126.492 1.917 . . . . 48.780000000000001 111.835 -179.027 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 74' ' ' ASN . 49.8 t-20 24.88 51.3 0.02 OUTLIER 'General case' 0 C--O 1.268 2.079 0 N-CA-C 120.306 3.447 . . . . 33.18 120.306 178.637 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.555 ' CD2' ' O ' ' A' ' 569' ' ' HOH . 93.9 mt -49.89 -2.22 0.01 OUTLIER 'General case' 0 C--O 1.27 2.162 0 N-CA-C 120.675 3.583 . . . . 28.989999999999998 120.675 179.663 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 63' ' ' TRP . 0.8 OUTLIER -110.21 -16.54 13.74 Favored 'General case' 0 C--O 1.246 0.9 0 O-C-N 117.751 -3.093 . . . . 30.530000000000001 106.535 -177.689 -26.863 -161.913 9.462 119.887 2.033 110.862 93.799 168.835 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 54.71 55.75 7.53 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 103.782 -2.673 . . . . 32.719999999999999 103.782 -177.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.26 135.78 21.54 Favored Pre-proline 0 N--CA 1.473 0.678 0 O-C-N 126.486 2.366 . . . . 28.789999999999999 109.803 179.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.9 137.5 19.84 Favored 'Trans proline' 0 C--O 1.268 2.004 0 N-CA-C 105.507 -2.536 . . . . 27.149999999999999 105.507 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.665 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 63.7 m -56.23 -26.81 52.64 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 120.826 -1.171 . . . . 25.899999999999999 110.576 -177.518 -57.178 -58.318 98.544 105.773 2.048 110.599 80.702 69.889 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 p -55.62 -37.33 68.02 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 127.52 2.328 . . . . 27.449999999999999 115.389 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.44 -29.01 69.05 Favored 'General case' 0 C--O 1.255 1.359 0 C-N-CA 124.795 1.238 . . . . 28.75 113.765 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -72.31 -45.66 59.03 Favored 'General case' 0 C--O 1.208 -1.124 0 C-N-CA 126.103 1.761 . . . . 30.219999999999999 108.073 -179.143 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.515 ' CD2' ' HB3' ' A' ' 53' ' ' TYR . 21.3 mt -53.76 -37.61 63.57 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 126.885 2.616 . . . . 28.219999999999999 112.509 178.503 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . 0.579 ' O ' ' N ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -68.22 133.61 49.12 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 126.545 2.403 . . . . 28.440000000000001 111.526 179.346 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . 0.626 ' OG ' ' HB3' ' A' ' 1' ' ' LYS . 26.8 m -42.48 -8.22 0.01 OUTLIER 'General case' 0 C--O 1.25 1.106 0 CA-C-O 112.567 -3.587 . . . . 30.739999999999998 113.238 -177.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -75.02 156.16 36.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 128.358 3.536 . . . . 34.460000000000001 107.437 178.707 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.954 HG12 ' O ' ' A' ' 589' ' ' HOH . 1.8 pt -120.69 1.14 7.15 Favored 'Isoleucine or valine' 0 C--O 1.25 1.124 0 CA-C-N 121.509 1.959 . . . . 27.399999999999999 108.426 176.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -44.75 88.31 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 120.514 -1.366 . . . . 23.600000000000001 111.681 -179.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.54 -37.25 72.76 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 117.301 2.334 . . . . 26.34 117.301 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -31.84 19.21 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 127.998 2.519 . . . . 24.23 108.66 179.625 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 88' ' ' ILE . 84.4 t -72.02 -17.52 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 109.736 -0.468 . . . . 21.699999999999999 109.736 178.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.455 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 1.3 m-20 -93.37 -50.25 5.54 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 125.905 1.682 . . . . 21.899999999999999 108.008 178.003 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.2 t -67.76 -26.69 66.24 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 119.39 0.996 . . . . 27.629999999999999 111.154 177.561 168.835 93.799 9.462 110.862 2.033 119.887 -161.913 -26.863 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.09 -28.04 54.39 Favored 'General case' 0 C--O 1.25 1.12 0 CA-C-O 117.134 -1.412 . . . . 26.010000000000002 109.746 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.796 ' HD2' ' O ' ' A' ' 560' ' ' HOH . 4.7 mtpt -69.45 -28.26 65.96 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 127.648 3.092 . . . . 23.84 103.877 178.356 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 98' ' ' ILE . 19.2 tttm -81.9 -84.75 0.11 Allowed 'General case' 0 N--CA 1.477 0.881 0 O-C-N 126.68 2.488 . . . . 25.079999999999998 106.203 178.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.81 HG22 ' N ' ' A' ' 99' ' ' VAL . 1.8 mt -6.01 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.984 1 CA-C-O 128.628 4.061 . . . . 32.479999999999997 113.763 178.701 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.81 ' N ' HG22 ' A' ' 98' ' ' ILE . 3.8 m -46.23 -77.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 110.874 -2.876 . . . . 37.630000000000003 106.797 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 m -33.73 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 130.455 3.502 . . . . 54.770000000000003 120.236 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.651 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 1.0 OUTLIER -71.3 58.73 0.26 Allowed 'General case' 0 C--O 1.255 1.393 0 C-N-CA 126.371 1.868 . . . . 40.289999999999999 107.89 178.105 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.0 -78.44 0.52 Allowed Glycine 0 CA--C 1.539 1.592 0 O-C-N 126.359 2.287 . . . . 38.350000000000001 112.019 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.441 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 6.8 m-20 -12.58 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.251 1 C-N-CA 131.759 4.024 . . . . 37.659999999999997 118.774 179.203 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 134.49 -176.52 19.83 Favored Glycine 0 N--CA 1.47 0.933 0 N-CA-C 104.433 -3.467 . . . . 37.990000000000002 104.433 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . 0.648 ' O ' ' N ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -53.13 -28.05 23.8 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-O 124.15 1.929 . . . . 64.439999999999998 107.768 179.363 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.612 ' ND2' ' O ' ' A' ' 571' ' ' HOH . 88.9 m-20 -33.11 53.99 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.994 1 C-N-CA 131.999 4.12 . . . . 44.640000000000001 114.656 179.604 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.648 ' N ' ' O ' ' A' ' 105' ' ' MET . . . -157.78 -4.87 0.09 Allowed 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 127.044 2.138 . . . . 42.600000000000001 106.508 176.476 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.732 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 3.0 m-90 -100.06 122.34 42.78 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 106.668 -1.604 . . . . 38.530000000000001 106.668 179.048 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 113' ' ' ASN . 3.5 t -58.63 -50.41 79.18 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 114.021 -1.445 . . . . 35.170000000000002 109.659 -179.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.506 ' O ' ' C ' ' A' ' 111' ' ' TRP . . . -64.43 -68.44 0.35 Allowed 'General case' 0 C--N 1.293 -1.884 2 O-C-N 129.409 4.193 . . . . 37.740000000000002 112.377 -179.841 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.759 ' HE1' ' HB3' ' A' ' 27' ' ' ASN . 81.1 t90 -45.12 -65.8 0.48 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 102.084 -3.302 . . . . 40.030000000000001 102.084 178.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.732 ' HB2' ' O ' ' A' ' 108' ' ' TRP . 0.0 OUTLIER -49.91 -83.36 0.01 OUTLIER 'General case' 0 C--O 1.263 1.769 0 O-C-N 126.904 2.627 . . . . 39.990000000000002 109.704 179.816 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 109' ' ' VAL 0.252 1.6 t30 -80.99 57.3 3.05 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 116.237 1.94 . . . . 38.619999999999997 116.237 -176.882 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 110' ' ' ALA . 2.7 tpm_? -173.04 -57.06 0.02 OUTLIER 'General case' 0 C--O 1.242 0.659 0 N-CA-C 113.325 0.861 . . . . 39.619999999999997 113.325 175.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.9 m -108.54 40.12 1.85 Allowed 'General case' 0 C--O 1.255 1.372 0 O-C-N 119.151 -2.218 . . . . 27.300000000000001 114.445 -177.311 -42.598 -111.901 -67.179 96.634 2.018 109.038 -98.501 -170.342 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -99.53 77.04 2.06 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 127.294 2.871 . . . . 31.48 113.305 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.586 ' O ' ' N ' ' A' ' 119' ' ' ASP . . . 110.95 -1.54 28.62 Favored Glycine 0 C--O 1.255 1.455 0 N-CA-C 120.948 3.139 . . . . 31.280000000000001 120.948 178.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . 0.678 ' O ' ' C ' ' A' ' 119' ' ' ASP . 0.2 OUTLIER -63.43 67.55 0.02 OUTLIER 'General case' 0 C--O 1.256 1.434 1 CA-C-N 126.313 5.056 . . . . 35.619999999999997 109.245 -179.179 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.678 ' C ' ' O ' ' A' ' 118' ' ' THR 0.319 0.8 OUTLIER 21.25 84.2 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 128.337 3.923 . . . . 40.630000000000003 106.774 -176.993 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.734 HG12 HD21 ' A' ' 27' ' ' ASN 0.261 0.0 OUTLIER -13.17 -63.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.427 -1.613 1 C-N-CA 137.429 6.292 . . . . 35.460000000000001 118.108 178.054 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -31.41 -86.33 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 127.28 2.232 . . . . 36.729999999999997 107.174 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.953 ' O ' ' HD3' ' A' ' 125' ' ' ARG . . . 12.78 -70.55 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.938 0 C-N-CA 131.2 3.8 . . . . 29.82 119.198 -179.322 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -59.94 -11.49 5.76 Favored 'General case' 0 C--O 1.251 1.164 0 O-C-N 117.941 -2.974 . . . . 31.77 117.292 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.533 HG13 ' CD2' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -108.66 0.02 9.73 Favored 'Isoleucine or valine' 0 C--O 1.257 1.449 0 C-N-CA 127.502 2.321 . . . . 32.939999999999998 108.543 178.797 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.953 ' HD3' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -93.63 165.75 12.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 113.605 -3.093 . . . . 31.100000000000001 106.353 -179.18 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.454 ' N ' ' HG2' ' A' ' 125' ' ' ARG . . . 91.34 -57.78 3.12 Favored Glycine 0 N--CA 1.486 2.009 1 O-C-N 129.82 4.45 . . . . 29.23 104.962 -178.911 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 126' ' ' GLY . 21.4 m -59.43 -179.78 0.09 Allowed 'General case' 0 C--O 1.249 1.06 0 N-CA-C 101.81 -3.404 . . . . 30.829999999999998 101.81 177.499 -48.216 -73.268 -72.446 101.642 2.025 109.216 -53.249 -55.563 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -89.32 -2.97 58.65 Favored 'General case' 0 C--O 1.242 0.693 1 O-C-N 130.01 4.569 . . . . 36.310000000000002 111.917 178.68 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.533 ' CD2' HG13 ' A' ' 124' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.266 1.934 1 CA-C-O 111.499 -4.096 . . . . 40.869999999999997 108.897 177.365 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 550' ' ' HOH . . . . . 0.524 ' O ' ' HD3' ' A' ' 5' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 553' ' ' HOH . . . . . 0.594 ' O ' ' HH2' ' A' ' 111' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 560' ' ' HOH . . . . . 0.796 ' O ' ' HD2' ' A' ' 96' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 561' ' ' HOH . . . . . 0.759 ' O ' HG11 ' A' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 563' ' ' HOH . . . . . 0.581 ' O ' HD13 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 564' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 565' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 566' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 567' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 568' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 569' ' ' HOH . . . . . 0.555 ' O ' ' CD2' ' A' ' 75' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 570' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 571' ' ' HOH . . . . . 0.612 ' O ' ' ND2' ' A' ' 106' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 572' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 573' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 574' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 575' ' ' HOH . . . . . 0.641 ' O ' ' HD2' ' A' ' 20' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 576' ' ' HOH . . . . . 0.621 ' O ' ' HD3' ' A' ' 68' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 577' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 578' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 579' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 580' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 581' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 582' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 583' ' ' HOH . . . . . 0.55 ' O ' ' HG2' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 584' ' ' HOH . . . . . 0.78 ' O ' ' HE2' ' A' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 585' ' ' HOH . . . . . 0.425 ' O ' ' CE ' ' A' ' 96' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 586' ' ' HOH . . . . . 0.877 ' O ' ' HB3' ' A' ' 70' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 587' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 588' ' ' HOH . . . . . 0.416 ' O ' ' NH2' ' A' ' 125' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 589' ' ' HOH . . . . . 0.954 ' O ' HG12 ' A' ' 88' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 590' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 591' ' ' HOH . . . . . 0.423 ' O ' HD21 ' A' ' 129' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 592' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 593' ' ' HOH . . . . . 0.727 ' O ' ' HB3' ' A' ' 39' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 594' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 595' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_