data_1csx_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 1csx _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 ' -5' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.256 1.405 0 N-CA-C 106.398 -1.705 . . . . 49.33 106.398 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -145.16 23.5 1.5 Allowed 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 104.231 -2.507 . . . . 51.46 104.231 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -139.97 132.07 27.98 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-N 109.743 -3.389 . . . . 40.76 109.149 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -131.23 136.92 48.64 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 126.668 2.48 . . . . 34.44 108.194 178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -45.87 145.09 1.55 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 127.489 2.993 . . . . 27.89 106.544 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.97 -149.6 6.38 Favored Glycine 0 C--O 1.249 1.036 1 O-C-N 130.634 4.958 . . . . 23.91 107.254 -178.132 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -88.97 120.36 30.32 Favored 'General case' 0 C--O 1.267 2.022 0 O-C-N 127.306 2.415 . . . . 18.55 112.498 -177.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.1 73.6 Favored 'General case' 0 C--O 1.284 2.889 0 C-N-CA 113.616 -3.234 . . . . 12.31 108.6 176.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -67.45 -45.42 76.05 Favored 'General case' 0 C--O 1.269 2.104 0 N-CA-C 106.847 -1.538 . . . . 22.5 106.847 179.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -47.97 74.52 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 116.678 -2.009 . . . . 29.37 109.254 -179.278 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.98 -43.99 96.49 Favored Glycine 0 C--O 1.253 1.3 0 O-C-N 125.498 1.749 . . . . 10.36 114.118 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.14 -43.44 61.2 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 118.416 -0.802 . . . . 5.48 110.851 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.339 9.5 p -78.4 -31.44 48.3 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 128.568 3.667 . . . . 10.68 111.779 -175.859 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -46.67 89.51 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 101.27 -3.604 . . . . 18.64 101.27 176.864 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -58.21 -46.34 86.03 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 112.84 -1.982 . . . . 9.56 113.813 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.27 33.6 mttt -59.31 -49.54 77.44 Favored 'General case' 0 C--O 1.273 2.335 0 N-CA-C 108.625 -0.88 . . . . 17.26 108.625 -177.347 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.3 p -79.53 -23.06 43.13 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-O 114.912 -2.47 . . . . 10.51 113.402 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.85 -10.52 9.11 Favored 'General case' 0 C--O 1.267 1.978 0 CA-C-N 125.699 3.863 . . . . 34.47 117.012 -179.053 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.0 m -126.29 -25.01 3.57 Favored 'General case' 0 C--N 1.318 -0.799 1 CA-C-O 110.176 -4.726 . . . . 4.58 116.116 -179.877 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.57 -31.47 71.52 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-N 123.16 2.709 . . . . 4.02 115.991 -176.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -48.39 -34.17 10.37 Favored 'General case' 0 C--O 1.291 3.26 0 CA-C-N 113.566 -1.652 . . . . 14.19 107.483 178.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.8 m -123.09 -8.01 8.28 Favored 'General case' 0 C--O 1.261 1.709 0 O-C-N 127.569 3.043 . . . . 4.62 116.589 -177.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -141.37 161.77 37.09 Favored 'General case' 0 N--CA 1.5 2.054 0 C-N-CA 115.572 -2.451 . . . . 7.47 111.71 -177.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.8 p -122.71 156.0 35.31 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 130.529 3.532 . . . . 8.63 103.957 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 195' ' ' HOH . 15.8 m -118.94 -19.27 5.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.631 3.082 . . . . 7.12 116.51 -177.641 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -80.75 152.92 28.09 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 116.251 1.945 . . . . 22.87 116.251 -173.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -64.14 128.43 35.77 Favored 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 104.68 -2.341 . . . . 23.68 104.68 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.34 10.56 81.99 Favored Glycine 0 C--O 1.266 2.147 0 C-N-CA 116.402 -2.809 . . . . 8.99 115.036 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.12 160.87 28.7 Favored Glycine 0 N--CA 1.505 3.264 1 N-CA-C 102.296 -4.322 . . . . 7.42 102.296 178.244 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -88.38 160.1 6.77 Favored 'Trans proline' 0 N--CA 1.443 -1.496 0 N-CA-C 118.637 2.514 . . . . 6.04 118.637 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -76.53 142.81 40.71 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 109.648 -3.433 . . . . 17.9 103.535 176.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -126.29 -123.15 0.24 Allowed 'General case' 0 C--O 1.287 3.053 1 CA-C-O 110.153 -4.737 . . . . 10.95 103.59 177.576 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . 0.401 ' O ' ' OH ' ' A' ' 46' ' ' TYR . 20.1 t -63.15 -45.96 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 128.376 3.548 . . . . 5.06 107.235 174.891 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.55 171.1 19.0 Favored Glycine 0 CA--C 1.56 2.899 0 CA-C-O 127.475 3.82 . . . . 4.0 108.984 175.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -70.21 156.36 62.35 Favored 'Trans proline' 0 C--O 1.263 1.768 0 C-N-CA 121.872 1.715 . . . . 4.0 112.257 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.99 133.9 45.6 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 101.968 -3.345 . . . . 10.75 101.968 175.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.44 7.75 34.4 Favored 'General case' 1 C--O 1.311 4.338 0 N-CA-C 118.797 2.888 . . . . 5.49 118.797 -177.289 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -56.08 140.21 44.52 Favored 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 117.26 -1.776 . . . . 19.19 108.943 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.07 20.2 33.83 Favored Glycine 0 N--CA 1.403 -3.532 1 C-N-CA 132.255 4.74 . . . . 12.28 117.021 -179.254 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.27 -22.22 13.75 Favored 'Isoleucine or valine' 0 C--O 1.276 2.46 0 N-CA-C 115.666 1.728 . . . . 15.49 115.666 179.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.259 97.8 m-85 -75.45 137.56 41.04 Favored 'General case' 0 N--CA 1.509 2.517 0 CA-C-N 124.173 3.169 . . . . 23.35 112.246 -178.681 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.21 -19.05 8.66 Favored Glycine 0 N--CA 1.499 2.876 0 C-N-CA 117.17 -2.443 . . . . 21.46 109.152 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' NH2' ' O ' ' A' ' 168' ' ' HOH . 17.8 ttp180 -78.39 155.49 29.98 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.763 -1.199 . . . . 26.67 107.763 176.839 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -96.24 159.68 14.83 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 104.81 -2.292 . . . . 18.52 104.81 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.4 p -71.05 143.69 50.62 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 123.736 1.732 . . . . 17.6 111.088 178.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.94 26.93 54.78 Favored Glycine 0 C--O 1.276 2.757 0 C-N-CA 127.343 2.401 . . . . 16.46 116.553 -179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -115.72 3.27 13.84 Favored 'General case' 0 C--O 1.267 2.011 0 N-CA-C 118.956 2.947 . . . . 26.09 118.956 -177.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.04 139.58 48.59 Favored 'General case' 0 N--CA 1.508 2.459 0 N-CA-C 103.921 -2.622 . . . . 12.55 103.921 176.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -93.23 156.86 16.57 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 113.136 -3.426 . . . . 35.28 110.645 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.47 0.9 78.86 Favored Glycine 0 C--O 1.285 3.318 0 CA-C-N 111.339 -2.664 . . . . 7.91 112.832 -178.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . 0.401 ' OH ' ' O ' ' A' ' 28' ' ' VAL . 48.4 t80 -118.49 129.87 55.61 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 125.079 2.371 . . . . 10.52 114.452 179.8 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . 0.448 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 29.1 t -82.87 85.76 7.06 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 128.029 2.532 . . . . 9.39 115.306 179.198 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -79.06 172.43 13.81 Favored 'General case' 0 N--CA 1.514 2.755 0 C-N-CA 117.044 -1.862 . . . . 15.98 109.58 179.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.8 p -81.97 172.11 13.65 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 116.65 -1.643 . . . . 12.81 107.593 179.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -63.5 -38.72 92.2 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 127.077 2.735 . . . . 24.73 108.088 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.37 67.74 Favored 'General case' 0 C--O 1.281 2.718 0 N-CA-C 116.341 1.978 . . . . 14.76 116.341 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -55.68 -54.89 38.72 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 105.853 -1.906 . . . . 19.01 105.853 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.1 mm -48.87 -49.35 15.24 Favored 'Isoleucine or valine' 0 C--O 1.247 0.952 0 O-C-N 125.233 1.583 . . . . 26.28 114.771 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -76.08 -13.11 60.22 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 114.636 1.346 . . . . 37.0 114.636 -176.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -78.29 -18.46 55.23 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 126.399 2.312 . . . . 31.77 108.959 -177.629 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 38.53 40.44 0.38 Allowed 'General case' 0 N--CA 1.427 -1.609 0 C-N-CA 130.584 3.554 . . . . 29.89 117.348 178.196 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.84 129.97 26.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 C-N-CA 127.245 2.218 . . . . 31.27 112.092 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -96.84 116.04 28.48 Favored 'General case' 0 N--CA 1.479 0.988 1 N-CA-C 99.15 -4.389 . . . . 32.3 99.15 175.773 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -81.18 105.07 12.09 Favored 'General case' 0 C--O 1.246 0.88 0 O-C-N 127.109 2.756 . . . . 26.82 116.136 -176.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 63' ' ' ASN . 4.3 p30 -124.78 161.01 27.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 126.733 2.521 . . . . 34.5 107.59 177.2 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -30.27 1.4 Allowed 'General case' 0 C--O 1.259 1.561 0 O-C-N 127.631 3.082 . . . . 29.68 114.7 -179.42 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -79.51 -51.25 9.57 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 128.93 2.892 . . . . 29.81 115.423 -177.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -57.17 -55.39 35.38 Favored 'General case' 0 C--N 1.291 -1.952 0 C-N-CA 130.607 3.563 . . . . 24.3 105.571 176.252 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 26.3 tpp -52.29 -33.46 42.22 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-N 110.605 -2.998 . . . . 24.44 111.01 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -65.54 -52.5 51.99 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.438 -0.801 . . . . 11.27 111.849 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.42 -50.13 65.85 Favored 'General case' 0 CA--C 1.551 1.014 1 O-C-N 130.46 4.85 . . . . 26.9 107.562 179.68 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . 0.272 90.0 t80 -58.75 -46.77 86.7 Favored 'General case' 0 N--CA 1.508 2.457 1 O-C-N 129.442 4.214 . . . . 12.21 113.003 -177.737 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.296 12.6 mt -61.54 -23.44 65.95 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 115.596 1.702 . . . . 12.72 115.596 179.759 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.9 m -58.85 -51.74 68.73 Favored 'General case' 0 C--O 1.26 1.613 0 N-CA-C 115.423 1.638 . . . . 13.67 115.423 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -160.0 90.45 1.81 Allowed Pre-proline 0 C--O 1.254 1.321 0 C-N-CA 126.289 1.836 . . . . 19.24 108.536 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ILE . 77.6 Cg_exo -52.06 -53.47 6.91 Favored 'Trans proline' 0 C--O 1.251 1.151 1 O-C-N 129.745 4.55 . . . . 10.84 114.961 -177.578 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.41 0 O-C-N 128.155 3.409 . . . . 19.53 108.934 178.959 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -53.42 32.79 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 127.955 3.285 . . . . 20.51 106.608 -179.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -69.28 -39.31 78.45 Favored 'General case' 0 C--N 1.281 -2.372 0 C-N-CA 130.581 3.553 . . . . 28.35 111.839 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' PRO . 1.1 mt -130.78 80.96 68.67 Favored Pre-proline 0 N--CA 1.478 0.954 0 CA-C-O 122.993 1.378 . . . . 23.55 113.621 -179.94 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.74 114.35 1.81 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 124.48 3.453 . . . . 16.97 111.434 -179.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.91 11.66 56.34 Favored Glycine 0 N--CA 1.435 -1.399 0 C-N-CA 127.311 2.386 . . . . 15.05 117.892 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.3 t -68.86 144.1 54.34 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 114.239 -2.791 . . . . 13.36 107.808 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 47' ' ' SER . 47.7 pttt -87.89 14.44 8.81 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 122.4 2.364 . . . . 17.58 113.016 177.323 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.2 ttt -82.12 106.7 14.23 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 104.462 -2.421 . . . . 13.93 104.462 178.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.18 65.88 9.29 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 128.178 3.424 . . . . 17.51 110.289 -178.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -127.35 124.73 39.33 Favored 'General case' 0 N--CA 1.507 2.407 0 C-N-CA 117.771 -1.572 . . . . 20.08 107.737 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 188' ' ' HOH . . . -47.68 -59.9 5.73 Favored Glycine 0 C--O 1.226 -0.375 0 CA-C-N 112.465 -2.152 . . . . 20.26 113.05 -177.818 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.18 164.48 9.98 Favored Glycine 0 N--CA 1.512 3.75 0 N-CA-C 104.26 -3.536 . . . . 19.94 104.26 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 mt -115.35 95.02 4.97 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 128.274 2.985 . . . . 16.27 103.284 -178.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -68.71 -30.72 69.42 Favored 'General case' 0 C--O 1.271 2.206 0 N-CA-C 115.424 1.639 . . . . 32.12 115.424 -177.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -79.13 114.53 18.15 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 124.924 1.39 . . . . 23.18 110.533 -177.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -53.41 -43.26 67.8 Favored 'General case' 0 C--O 1.253 1.255 0 O-C-N 127.339 2.899 . . . . 25.69 110.584 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . 0.25 0.3 OUTLIER -55.85 -39.17 71.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 112.625 -3.56 . . . . 24.53 107.969 -179.469 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -64.5 -45.73 86.0 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 127.498 2.999 . . . . 17.11 111.929 179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.2 mtm-85 -63.08 -43.48 98.44 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 112.481 -2.145 . . . . 24.31 109.882 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 144' ' ' HOH . 87.5 m-20 -61.22 -47.67 85.02 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 127.939 3.274 . . . . 11.28 106.927 -178.072 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -58.78 -58.44 8.58 Favored 'General case' 0 C--O 1.272 2.263 0 O-C-N 128.222 3.451 . . . . 11.92 110.831 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.0 p -52.21 -53.54 42.15 Favored 'General case' 0 C--O 1.261 1.67 0 CA-C-N 114.016 -1.447 . . . . 13.92 112.145 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.4 -25.47 36.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.828 -1.17 . . . . 11.59 110.067 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.377 91.9 m -65.78 -43.95 87.27 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 112.523 -2.126 . . . . 13.27 107.546 -177.566 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -69.96 -43.15 72.13 Favored 'General case' 0 C--O 1.256 1.428 0 C-N-CA 127.818 2.447 . . . . 12.46 115.378 178.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.309 17.7 mt -63.8 -41.96 97.8 Favored 'General case' 0 C--O 1.26 1.654 0 O-C-N 125.8 1.938 . . . . 17.09 108.324 -178.428 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -58.77 -43.71 90.47 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 125.548 2.594 . . . . 26.09 109.785 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -65.88 -64.78 0.78 Allowed 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 110.805 -2.907 . . . . 29.64 111.595 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.27 72.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 118.937 2.94 . . . . 12.68 118.937 -175.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . 0.25 27.6 p -83.65 -1.15 53.34 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 115.051 1.5 . . . . 15.46 115.051 -179.426 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.258 1.532 0 CA-C-O 112.774 -3.488 . . . . 28.67 112.018 179.306 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . 0.424 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . 0.411 ' O ' ' NH2' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' HOH . . . . . 0.463 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' HOH . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -5' ' ' THR . . . . . 0.629 ' HB ' ' OD1' ' A' ' 62' ' ' ASN . 28.8 p . . . . . 0 C--O 1.256 1.405 0 N-CA-C 106.398 -1.705 . . . . 49.33 106.398 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -4' ' ' GLU . . . . . 0.507 ' HB3' ' O ' ' A' ' 214' ' ' HOH . 32.7 mt-10 -145.16 23.5 1.5 Allowed 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 104.231 -2.507 . . . . 51.46 104.231 178.005 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -3' ' ' PHE . . . . . 0.603 ' HB3' ' ND2' ' A' ' 62' ' ' ASN . 32.1 t80 -139.97 132.07 27.98 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-N 109.743 -3.389 . . . . 40.76 109.149 -178.974 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -2' ' ' LYS . . . . . 0.527 ' HE2' ' O ' ' A' ' 221' ' ' HOH . 9.4 mttm -131.23 136.92 48.64 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 126.668 2.48 . . . . 34.44 108.194 178.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -45.87 145.09 1.55 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 127.489 2.993 . . . . 27.89 106.544 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' HG21 ' A' ' 96' ' ' THR . . . -131.97 -149.6 6.38 Favored Glycine 0 C--O 1.249 1.036 1 O-C-N 130.634 4.958 . . . . 23.91 107.254 -178.132 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . 0.751 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 46.4 t -88.97 120.36 30.32 Favored 'General case' 0 C--O 1.267 2.022 0 O-C-N 127.306 2.415 . . . . 18.55 112.498 -177.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.1 73.6 Favored 'General case' 0 C--O 1.284 2.889 0 C-N-CA 113.616 -3.234 . . . . 12.31 108.6 176.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -67.45 -45.42 76.05 Favored 'General case' 0 C--O 1.269 2.104 0 N-CA-C 106.847 -1.538 . . . . 22.5 106.847 179.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.751 ' HB2' ' HB3' ' A' ' 2' ' ' SER . 0.0 OUTLIER -55.2 -47.97 74.52 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 116.678 -2.009 . . . . 29.37 109.254 -179.278 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.98 -43.99 96.49 Favored Glycine 0 C--O 1.253 1.3 0 O-C-N 125.498 1.749 . . . . 10.36 114.118 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.14 -43.44 61.2 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 118.416 -0.802 . . . . 5.48 110.851 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.339 9.5 p -78.4 -31.44 48.3 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 128.568 3.667 . . . . 10.68 111.779 -175.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -46.67 89.51 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 101.27 -3.604 . . . . 18.64 101.27 176.864 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CD2' ' HB2' ' A' ' 14' ' ' CYS . 41.4 t80 -58.21 -46.34 86.03 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 112.84 -1.982 . . . . 9.56 113.813 -178.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.27 33.6 mttt -59.31 -49.54 77.44 Favored 'General case' 0 C--O 1.273 2.335 0 N-CA-C 108.625 -0.88 . . . . 17.26 108.625 -177.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.3 p -79.53 -23.06 43.13 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-O 114.912 -2.47 . . . . 10.51 113.402 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HG3' HH11 ' A' ' 13' ' ' ARG . 0.0 OUTLIER -120.85 -10.52 9.11 Favored 'General case' 0 C--O 1.267 1.978 0 CA-C-N 125.699 3.863 . . . . 34.47 117.012 -179.053 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 10' ' ' PHE . 8.0 m -126.29 -25.01 3.57 Favored 'General case' 0 C--N 1.318 -0.799 1 CA-C-O 110.176 -4.726 . . . . 4.58 116.116 -179.877 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.57 -31.47 71.52 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-N 123.16 2.709 . . . . 4.02 115.991 -176.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -48.39 -34.17 10.37 Favored 'General case' 0 C--O 1.291 3.26 0 CA-C-N 113.566 -1.652 . . . . 14.19 107.483 178.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.8 m -123.09 -8.01 8.28 Favored 'General case' 0 C--O 1.261 1.709 0 O-C-N 127.569 3.043 . . . . 4.62 116.589 -177.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 110' ' ' HOH . 93.8 m-70 -141.37 161.77 37.09 Favored 'General case' 0 N--CA 1.5 2.054 0 C-N-CA 115.572 -2.451 . . . . 7.47 111.71 -177.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' A' ' 195' ' ' HOH . 76.8 p -122.71 156.0 35.31 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 130.529 3.532 . . . . 8.63 103.957 178.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 195' ' ' HOH . 15.8 m -118.94 -19.27 5.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.631 3.082 . . . . 7.12 116.51 -177.641 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 2.4 pm0 -80.75 152.92 28.09 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 116.251 1.945 . . . . 22.87 116.251 -173.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -64.14 128.43 35.77 Favored 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 104.68 -2.341 . . . . 23.68 104.68 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.34 10.56 81.99 Favored Glycine 0 C--O 1.266 2.147 0 C-N-CA 116.402 -2.809 . . . . 8.99 115.036 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.12 160.87 28.7 Favored Glycine 0 N--CA 1.505 3.264 1 N-CA-C 102.296 -4.322 . . . . 7.42 102.296 178.244 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . 0.459 ' HD2' HG21 ' A' ' 19' ' ' THR . 31.1 Cg_endo -88.38 160.1 6.77 Favored 'Trans proline' 0 N--CA 1.443 -1.496 0 N-CA-C 118.637 2.514 . . . . 6.04 118.637 179.513 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . 0.649 ' HB3' ' O ' ' A' ' 181' ' ' HOH . 11.6 m-70 -76.53 142.81 40.71 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 109.648 -3.433 . . . . 17.9 103.535 176.213 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 125' ' ' HOH . 46.3 mtmt -126.29 -123.15 0.24 Allowed 'General case' 0 C--O 1.287 3.053 1 CA-C-O 110.153 -4.737 . . . . 10.95 103.59 177.576 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.1 t -63.15 -45.96 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 128.376 3.548 . . . . 5.06 107.235 174.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.55 171.1 19.0 Favored Glycine 0 CA--C 1.56 2.899 0 CA-C-O 127.475 3.82 . . . . 4.0 108.984 175.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -70.21 156.36 62.35 Favored 'Trans proline' 0 C--O 1.263 1.768 0 C-N-CA 121.872 1.715 . . . . 4.0 112.257 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.99 133.9 45.6 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 101.968 -3.345 . . . . 10.75 101.968 175.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.44 7.75 34.4 Favored 'General case' 1 C--O 1.311 4.338 0 N-CA-C 118.797 2.888 . . . . 5.49 118.797 -177.289 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -56.08 140.21 44.52 Favored 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 117.26 -1.776 . . . . 19.19 108.943 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.07 20.2 33.83 Favored Glycine 0 N--CA 1.403 -3.532 1 C-N-CA 132.255 4.74 . . . . 12.28 117.021 -179.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.27 -22.22 13.75 Favored 'Isoleucine or valine' 0 C--O 1.276 2.46 0 N-CA-C 115.666 1.728 . . . . 15.49 115.666 179.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.259 97.8 m-85 -75.45 137.56 41.04 Favored 'General case' 0 N--CA 1.509 2.517 0 CA-C-N 124.173 3.169 . . . . 23.35 112.246 -178.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.21 -19.05 8.66 Favored Glycine 0 N--CA 1.499 2.876 0 C-N-CA 117.17 -2.443 . . . . 21.46 109.152 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -78.39 155.49 29.98 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.763 -1.199 . . . . 26.67 107.763 176.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CE1' HD23 ' A' ' 58' ' ' LEU . 75.0 m80 -96.24 159.68 14.83 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 104.81 -2.292 . . . . 18.52 104.81 177.009 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . 0.483 ' HA ' ' O2A' ' A' ' 104' ' ' HEM . 52.4 p -71.05 143.69 50.62 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 123.736 1.732 . . . . 17.6 111.088 178.029 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . 0.594 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 79.94 26.93 54.78 Favored Glycine 0 C--O 1.276 2.757 0 C-N-CA 127.343 2.401 . . . . 16.46 116.553 -179.532 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -115.72 3.27 13.84 Favored 'General case' 0 C--O 1.267 2.011 0 N-CA-C 118.956 2.947 . . . . 26.09 118.956 -177.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . 0.558 ' HA ' ' O ' ' A' ' 174' ' ' HOH . . . -72.04 139.58 48.59 Favored 'General case' 0 N--CA 1.508 2.459 0 N-CA-C 103.921 -2.622 . . . . 12.55 103.921 176.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -93.23 156.86 16.57 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 113.136 -3.426 . . . . 35.28 110.645 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.47 0.9 78.86 Favored Glycine 0 C--O 1.285 3.318 0 CA-C-N 111.339 -2.664 . . . . 7.91 112.832 -178.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . 0.52 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 48.4 t80 -118.49 129.87 55.61 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 125.079 2.371 . . . . 10.52 114.452 179.8 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . 0.4 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 29.1 t -82.87 85.76 7.06 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 128.029 2.532 . . . . 9.39 115.306 179.198 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . 0.834 ' HB2' HD11 ' A' ' 53' ' ' ILE . 87.1 m-85 -79.06 172.43 13.81 Favored 'General case' 0 N--CA 1.514 2.755 0 C-N-CA 117.044 -1.862 . . . . 15.98 109.58 179.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . 0.539 ' O ' HG12 ' A' ' 53' ' ' ILE . 63.8 p -81.97 172.11 13.65 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 116.65 -1.643 . . . . 12.81 107.593 179.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . 0.516 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 8.8 m-20 -63.5 -38.72 92.2 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 127.077 2.735 . . . . 24.73 108.088 177.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.37 67.74 Favored 'General case' 0 C--O 1.281 2.718 0 N-CA-C 116.341 1.978 . . . . 14.76 116.341 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -55.68 -54.89 38.72 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 105.853 -1.906 . . . . 19.01 105.853 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . 0.834 HD11 ' HB2' ' A' ' 48' ' ' TYR . 21.1 mm -48.87 -49.35 15.24 Favored 'Isoleucine or valine' 0 C--O 1.247 0.952 0 O-C-N 125.233 1.583 . . . . 26.28 114.771 -179.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 23.3 mttt -76.08 -13.11 60.22 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 114.636 1.346 . . . . 37.0 114.636 -176.572 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.601 ' HG3' ' CG2' ' A' ' 57' ' ' VAL 0.25 0.1 OUTLIER -78.29 -18.46 55.23 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 126.399 2.312 . . . . 31.77 108.959 -177.629 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.3 t30 38.53 40.44 0.38 Allowed 'General case' 0 N--CA 1.427 -1.609 0 C-N-CA 130.584 3.554 . . . . 29.89 117.348 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . 0.601 ' CG2' ' HG3' ' A' ' 55' ' ' LYS . 47.0 t -62.84 129.97 26.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 C-N-CA 127.245 2.218 . . . . 31.27 112.092 179.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . 0.607 HD23 ' CE1' ' A' ' 39' ' ' HIS . 1.1 tm? -96.84 116.04 28.48 Favored 'General case' 0 N--CA 1.479 0.988 1 N-CA-C 99.15 -4.389 . . . . 32.3 99.15 175.773 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -81.18 105.07 12.09 Favored 'General case' 0 C--O 1.246 0.88 0 O-C-N 127.109 2.756 . . . . 26.82 116.136 -176.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . 0.674 ' HB3' ' O ' ' A' ' 124' ' ' HOH . 4.3 p30 -124.78 161.01 27.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 126.733 2.521 . . . . 34.5 107.59 177.2 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.581 ' OE2' HG21 ' A' ' -5' ' ' THR . 0.7 OUTLIER -45.53 -30.27 1.4 Allowed 'General case' 0 C--O 1.259 1.561 0 O-C-N 127.631 3.082 . . . . 29.68 114.7 -179.42 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . 0.629 ' OD1' ' HB ' ' A' ' -5' ' ' THR . 2.7 m120 -79.51 -51.25 9.57 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 128.93 2.892 . . . . 29.81 115.423 -177.813 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . 0.487 ' OD1' HG13 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -57.17 -55.39 35.38 Favored 'General case' 0 C--N 1.291 -1.952 0 C-N-CA 130.607 3.563 . . . . 24.3 105.571 176.252 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 26.3 tpp -52.29 -33.46 42.22 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-N 110.605 -2.998 . . . . 24.44 111.01 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -65.54 -52.5 51.99 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.438 -0.801 . . . . 11.27 111.849 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 127' ' ' HOH . 0.3 OUTLIER -53.42 -50.13 65.85 Favored 'General case' 0 CA--C 1.551 1.014 1 O-C-N 130.46 4.85 . . . . 26.9 107.562 179.68 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . 0.272 90.0 t80 -58.75 -46.77 86.7 Favored 'General case' 0 N--CA 1.508 2.457 1 O-C-N 129.442 4.214 . . . . 12.21 113.003 -177.737 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.296 12.6 mt -61.54 -23.44 65.95 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 115.596 1.702 . . . . 12.72 115.596 179.759 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.9 m -58.85 -51.74 68.73 Favored 'General case' 0 C--O 1.26 1.613 0 N-CA-C 115.423 1.638 . . . . 13.67 115.423 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . 0.57 ' HB3' ' HB2' ' A' ' 73' ' ' LYS . 2.1 t-20 -160.0 90.45 1.81 Allowed Pre-proline 0 C--O 1.254 1.321 0 C-N-CA 126.289 1.836 . . . . 19.24 108.536 -177.679 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 172' ' ' HOH . 77.6 Cg_exo -52.06 -53.47 6.91 Favored 'Trans proline' 0 C--O 1.251 1.151 1 O-C-N 129.745 4.55 . . . . 10.84 114.961 -177.578 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 72' ' ' M3L . . . . . 0.488 HM12 ' O ' ' A' ' 78' ' ' THR . . . . . . . . 0 CA--C 1.514 -0.41 0 O-C-N 128.155 3.409 . . . . 19.53 108.934 178.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 70' ' ' ASN . 0.5 OUTLIER -66.84 -53.42 32.79 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 127.955 3.285 . . . . 20.51 106.608 -179.698 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -69.28 -39.31 78.45 Favored 'General case' 0 C--N 1.281 -2.372 0 C-N-CA 130.581 3.553 . . . . 28.35 111.839 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.78 80.96 68.67 Favored Pre-proline 0 N--CA 1.478 0.954 0 CA-C-O 122.993 1.378 . . . . 23.55 113.621 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.74 114.35 1.81 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 124.48 3.453 . . . . 16.97 111.434 -179.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.91 11.66 56.34 Favored Glycine 0 N--CA 1.435 -1.399 0 C-N-CA 127.311 2.386 . . . . 15.05 117.892 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . 0.488 ' O ' HM12 ' A' ' 72' ' ' M3L . 7.3 t -68.86 144.1 54.34 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 114.239 -2.791 . . . . 13.36 107.808 178.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . 0.4 ' NZ ' ' O ' ' A' ' 47' ' ' SER . 47.7 pttt -87.89 14.44 8.81 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 122.4 2.364 . . . . 17.58 113.016 177.323 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.2 ttt -82.12 106.7 14.23 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 104.462 -2.421 . . . . 13.93 104.462 178.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.18 65.88 9.29 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 128.178 3.424 . . . . 17.51 110.289 -178.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -127.35 124.73 39.33 Favored 'General case' 0 N--CA 1.507 2.407 0 C-N-CA 117.771 -1.572 . . . . 20.08 107.737 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -47.68 -59.9 5.73 Favored Glycine 0 C--O 1.226 -0.375 0 CA-C-N 112.465 -2.152 . . . . 20.26 113.05 -177.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.18 164.48 9.98 Favored Glycine 0 N--CA 1.512 3.75 0 N-CA-C 104.26 -3.536 . . . . 19.94 104.26 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . 0.419 HD22 ' HB3' ' A' ' 90' ' ' ASP . 13.0 mt -115.35 95.02 4.97 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 128.274 2.985 . . . . 16.27 103.284 -178.826 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . 0.496 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 10.4 mmtt -68.71 -30.72 69.42 Favored 'General case' 0 C--O 1.271 2.206 0 N-CA-C 115.424 1.639 . . . . 32.12 115.424 -177.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . 0.634 ' HD2' ' O ' ' A' ' 151' ' ' HOH . 35.4 mttp -79.13 114.53 18.15 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 124.924 1.39 . . . . 23.18 110.533 -177.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -53.41 -43.26 67.8 Favored 'General case' 0 C--O 1.253 1.255 0 O-C-N 127.339 2.899 . . . . 25.69 110.584 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . 0.25 0.3 OUTLIER -55.85 -39.17 71.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 112.625 -3.56 . . . . 24.53 107.969 -179.469 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . 0.494 ' OD2' ' HB2' ' A' ' 87' ' ' LYS . 81.4 m-20 -64.5 -45.73 86.0 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 127.498 2.999 . . . . 17.11 111.929 179.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.2 mtm-85 -63.08 -43.48 98.44 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 112.481 -2.145 . . . . 24.31 109.882 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.22 -47.67 85.02 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 127.939 3.274 . . . . 11.28 106.927 -178.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -58.78 -58.44 8.58 Favored 'General case' 0 C--O 1.272 2.263 0 O-C-N 128.222 3.451 . . . . 11.92 110.831 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.0 p -52.21 -53.54 42.15 Favored 'General case' 0 C--O 1.261 1.67 0 CA-C-N 114.016 -1.447 . . . . 13.92 112.145 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.4 -25.47 36.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.828 -1.17 . . . . 11.59 110.067 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . 0.422 HG21 ' O ' ' A' ' 1' ' ' GLY 0.377 91.9 m -65.78 -43.95 87.27 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 112.523 -2.126 . . . . 13.27 107.546 -177.566 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -69.96 -43.15 72.13 Favored 'General case' 0 C--O 1.256 1.428 0 C-N-CA 127.818 2.447 . . . . 12.46 115.378 178.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.309 17.7 mt -63.8 -41.96 97.8 Favored 'General case' 0 C--O 1.26 1.654 0 O-C-N 125.8 1.938 . . . . 17.09 108.324 -178.428 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . 0.419 ' HD2' ' HB3' ' A' ' 61' ' ' GLU . 7.5 mtpp -58.77 -43.71 90.47 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 125.548 2.594 . . . . 26.09 109.785 177.59 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -65.88 -64.78 0.78 Allowed 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 110.805 -2.907 . . . . 29.64 111.595 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.27 72.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 118.937 2.94 . . . . 12.68 118.937 -175.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . 0.25 27.6 p -83.65 -1.15 53.34 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 115.051 1.5 . . . . 15.46 115.051 -179.426 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.258 1.532 0 CA-C-O 112.774 -3.488 . . . . 28.67 112.018 179.306 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HEM . . . . . 0.483 ' O2A' ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . 0.409 ' O ' ' HA ' ' A' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . 0.674 ' O ' ' HB3' ' A' ' 60' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . 0.458 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . 0.501 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . 0.634 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . 0.405 ' O ' ' HD2' ' A' ' 71' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . 0.558 ' O ' ' HA ' ' A' ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 181' ' ' HOH . . . . . 0.649 ' O ' ' HB3' ' A' ' 26' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 195' ' ' HOH . . . . . 0.695 ' O ' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . 0.48 ' O ' ' HE3' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . 0.507 ' O ' ' HB3' ' A' ' -4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . 0.527 ' O ' ' HE2' ' A' ' -2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' THR . . . . . 1.053 ' HB ' HD21 ' A' ' 62' ' ' ASN . 28.8 p . . . . . 0 C--O 1.256 1.405 0 N-CA-C 106.398 -1.705 . . . . 49.33 106.398 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.507 ' HB3' ' O ' ' A' ' 214' ' ' HOH . 32.7 mt-10 -145.16 23.5 1.5 Allowed 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 104.231 -2.507 . . . . 51.46 104.231 178.005 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' PHE . . . . . 0.453 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . 32.1 t80 -139.97 132.07 27.98 Favored 'General case' 0 C--O 1.254 1.32 0 CA-C-N 109.743 -3.389 . . . . 40.76 109.149 -178.974 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.527 ' HE2' ' O ' ' A' ' 221' ' ' HOH . 9.4 mttm -131.23 136.92 48.64 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 126.668 2.48 . . . . 34.44 108.194 178.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -45.87 145.09 1.55 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 127.489 2.993 . . . . 27.89 106.544 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' HG21 ' A' ' 96' ' ' THR . . . -131.97 -149.6 6.38 Favored Glycine 0 C--O 1.249 1.036 1 O-C-N 130.634 4.958 . . . . 23.91 107.254 -178.132 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . 0.751 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 46.4 t -88.97 120.36 30.32 Favored 'General case' 0 C--O 1.267 2.022 0 O-C-N 127.306 2.415 . . . . 18.55 112.498 -177.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.1 73.6 Favored 'General case' 0 C--O 1.284 2.889 0 C-N-CA 113.616 -3.234 . . . . 12.31 108.6 176.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -67.45 -45.42 76.05 Favored 'General case' 0 C--O 1.269 2.104 0 N-CA-C 106.847 -1.538 . . . . 22.5 106.847 179.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.751 ' HB2' ' HB3' ' A' ' 2' ' ' SER . 0.0 OUTLIER -55.2 -47.97 74.52 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 116.678 -2.009 . . . . 29.37 109.254 -179.278 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.98 -43.99 96.49 Favored Glycine 0 C--O 1.253 1.3 0 O-C-N 125.498 1.749 . . . . 10.36 114.118 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.14 -43.44 61.2 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 118.416 -0.802 . . . . 5.48 110.851 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.339 9.5 p -78.4 -31.44 48.3 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 128.568 3.667 . . . . 10.68 111.779 -175.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -46.67 89.51 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 101.27 -3.604 . . . . 18.64 101.27 176.864 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CD2' ' HB2' ' A' ' 14' ' ' CYS . 41.4 t80 -58.21 -46.34 86.03 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 112.84 -1.982 . . . . 9.56 113.813 -178.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.27 33.6 mttt -59.31 -49.54 77.44 Favored 'General case' 0 C--O 1.273 2.335 0 N-CA-C 108.625 -0.88 . . . . 17.26 108.625 -177.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.3 p -79.53 -23.06 43.13 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-O 114.912 -2.47 . . . . 10.51 113.402 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HG3' HH11 ' A' ' 13' ' ' ARG . 0.0 OUTLIER -120.85 -10.52 9.11 Favored 'General case' 0 C--O 1.267 1.978 0 CA-C-N 125.699 3.863 . . . . 34.47 117.012 -179.053 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 10' ' ' PHE . 8.0 m -126.29 -25.01 3.57 Favored 'General case' 0 C--N 1.318 -0.799 1 CA-C-O 110.176 -4.726 . . . . 4.58 116.116 -179.877 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.57 -31.47 71.52 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-N 123.16 2.709 . . . . 4.02 115.991 -176.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -48.39 -34.17 10.37 Favored 'General case' 0 C--O 1.291 3.26 0 CA-C-N 113.566 -1.652 . . . . 14.19 107.483 178.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.8 m -123.09 -8.01 8.28 Favored 'General case' 0 C--O 1.261 1.709 0 O-C-N 127.569 3.043 . . . . 4.62 116.589 -177.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 110' ' ' HOH . 93.8 m-70 -141.37 161.77 37.09 Favored 'General case' 0 N--CA 1.5 2.054 0 C-N-CA 115.572 -2.451 . . . . 7.47 111.71 -177.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' A' ' 195' ' ' HOH . 76.8 p -122.71 156.0 35.31 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 130.529 3.532 . . . . 8.63 103.957 178.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 195' ' ' HOH . 15.8 m -118.94 -19.27 5.74 Favored 'Isoleucine or valine' 0 C--O 1.251 1.174 0 O-C-N 127.631 3.082 . . . . 7.12 116.51 -177.641 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 2.4 pm0 -80.75 152.92 28.09 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 116.251 1.945 . . . . 22.87 116.251 -173.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -64.14 128.43 35.77 Favored 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 104.68 -2.341 . . . . 23.68 104.68 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.34 10.56 81.99 Favored Glycine 0 C--O 1.266 2.147 0 C-N-CA 116.402 -2.809 . . . . 8.99 115.036 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.12 160.87 28.7 Favored Glycine 0 N--CA 1.505 3.264 1 N-CA-C 102.296 -4.322 . . . . 7.42 102.296 178.244 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.459 ' HD2' HG21 ' A' ' 19' ' ' THR . 31.1 Cg_endo -88.38 160.1 6.77 Favored 'Trans proline' 0 N--CA 1.443 -1.496 0 N-CA-C 118.637 2.514 . . . . 6.04 118.637 179.513 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.649 ' HB3' ' O ' ' A' ' 181' ' ' HOH . 11.6 m-70 -76.53 142.81 40.71 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 109.648 -3.433 . . . . 17.9 103.535 176.213 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 125' ' ' HOH . 46.3 mtmt -126.29 -123.15 0.24 Allowed 'General case' 0 C--O 1.287 3.053 1 CA-C-O 110.153 -4.737 . . . . 10.95 103.59 177.576 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.1 t -63.15 -45.96 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 128.376 3.548 . . . . 5.06 107.235 174.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.55 171.1 19.0 Favored Glycine 0 CA--C 1.56 2.899 0 CA-C-O 127.475 3.82 . . . . 4.0 108.984 175.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -70.21 156.36 62.35 Favored 'Trans proline' 0 C--O 1.263 1.768 0 C-N-CA 121.872 1.715 . . . . 4.0 112.257 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.99 133.9 45.6 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 101.968 -3.345 . . . . 10.75 101.968 175.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.44 7.75 34.4 Favored 'General case' 1 C--O 1.311 4.338 0 N-CA-C 118.797 2.888 . . . . 5.49 118.797 -177.289 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -56.08 140.21 44.52 Favored 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 117.26 -1.776 . . . . 19.19 108.943 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.07 20.2 33.83 Favored Glycine 0 N--CA 1.403 -3.532 1 C-N-CA 132.255 4.74 . . . . 12.28 117.021 -179.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.27 -22.22 13.75 Favored 'Isoleucine or valine' 0 C--O 1.276 2.46 0 N-CA-C 115.666 1.728 . . . . 15.49 115.666 179.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.259 97.8 m-85 -75.45 137.56 41.04 Favored 'General case' 0 N--CA 1.509 2.517 0 CA-C-N 124.173 3.169 . . . . 23.35 112.246 -178.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.21 -19.05 8.66 Favored Glycine 0 N--CA 1.499 2.876 0 C-N-CA 117.17 -2.443 . . . . 21.46 109.152 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -78.39 155.49 29.98 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.763 -1.199 . . . . 26.67 107.763 176.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CE1' HD23 ' A' ' 58' ' ' LEU . 75.0 m80 -96.24 159.68 14.83 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 104.81 -2.292 . . . . 18.52 104.81 177.009 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . 0.483 ' HA ' ' O2A' ' A' ' 104' ' ' HEM . 52.4 p -71.05 143.69 50.62 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 123.736 1.732 . . . . 17.6 111.088 178.029 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.594 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 79.94 26.93 54.78 Favored Glycine 0 C--O 1.276 2.757 0 C-N-CA 127.343 2.401 . . . . 16.46 116.553 -179.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -115.72 3.27 13.84 Favored 'General case' 0 C--O 1.267 2.011 0 N-CA-C 118.956 2.947 . . . . 26.09 118.956 -177.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.558 ' HA ' ' O ' ' A' ' 174' ' ' HOH . . . -72.04 139.58 48.59 Favored 'General case' 0 N--CA 1.508 2.459 0 N-CA-C 103.921 -2.622 . . . . 12.55 103.921 176.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -93.23 156.86 16.57 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 113.136 -3.426 . . . . 35.28 110.645 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.47 0.9 78.86 Favored Glycine 0 C--O 1.285 3.318 0 CA-C-N 111.339 -2.664 . . . . 7.91 112.832 -178.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.52 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 48.4 t80 -118.49 129.87 55.61 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 125.079 2.371 . . . . 10.52 114.452 179.8 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . 0.4 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 29.1 t -82.87 85.76 7.06 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 128.029 2.532 . . . . 9.39 115.306 179.198 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.834 ' HB2' HD11 ' A' ' 53' ' ' ILE . 87.1 m-85 -79.06 172.43 13.81 Favored 'General case' 0 N--CA 1.514 2.755 0 C-N-CA 117.044 -1.862 . . . . 15.98 109.58 179.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . 0.539 ' O ' HG12 ' A' ' 53' ' ' ILE . 63.8 p -81.97 172.11 13.65 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 116.65 -1.643 . . . . 12.81 107.593 179.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.516 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 8.8 m-20 -63.5 -38.72 92.2 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 127.077 2.735 . . . . 24.73 108.088 177.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.37 67.74 Favored 'General case' 0 C--O 1.281 2.718 0 N-CA-C 116.341 1.978 . . . . 14.76 116.341 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -55.68 -54.89 38.72 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 105.853 -1.906 . . . . 19.01 105.853 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.834 HD11 ' HB2' ' A' ' 48' ' ' TYR . 21.1 mm -48.87 -49.35 15.24 Favored 'Isoleucine or valine' 0 C--O 1.247 0.952 0 O-C-N 125.233 1.583 . . . . 26.28 114.771 -179.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 23.3 mttt -76.08 -13.11 60.22 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 114.636 1.346 . . . . 37.0 114.636 -176.572 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.601 ' HG3' ' CG2' ' A' ' 57' ' ' VAL 0.25 0.1 OUTLIER -78.29 -18.46 55.23 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 126.399 2.312 . . . . 31.77 108.959 -177.629 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.412 HD22 ' HA ' ' A' ' 56' ' ' ASN . 1.0 OUTLIER 38.53 40.44 0.38 Allowed 'General case' 0 N--CA 1.427 -1.609 0 C-N-CA 130.584 3.554 . . . . 29.89 117.348 178.196 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.601 ' CG2' ' HG3' ' A' ' 55' ' ' LYS . 47.0 t -62.84 129.97 26.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 C-N-CA 127.245 2.218 . . . . 31.27 112.092 179.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.607 HD23 ' CE1' ' A' ' 39' ' ' HIS . 1.1 tm? -96.84 116.04 28.48 Favored 'General case' 0 N--CA 1.479 0.988 1 N-CA-C 99.15 -4.389 . . . . 32.3 99.15 175.773 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -81.18 105.07 12.09 Favored 'General case' 0 C--O 1.246 0.88 0 O-C-N 127.109 2.756 . . . . 26.82 116.136 -176.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.674 ' HB3' ' O ' ' A' ' 124' ' ' HOH . 4.3 p30 -124.78 161.01 27.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 126.733 2.521 . . . . 34.5 107.59 177.2 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.581 ' OE2' HG21 ' A' ' -5' ' ' THR . 0.7 OUTLIER -45.53 -30.27 1.4 Allowed 'General case' 0 C--O 1.259 1.561 0 O-C-N 127.631 3.082 . . . . 29.68 114.7 -179.42 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . 1.053 HD21 ' HB ' ' A' ' -5' ' ' THR . 49.7 m-20 -79.51 -51.25 9.57 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 128.93 2.892 . . . . 29.81 115.423 -177.813 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.487 ' OD1' HG13 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -57.17 -55.39 35.38 Favored 'General case' 0 C--N 1.291 -1.952 0 C-N-CA 130.607 3.563 . . . . 24.3 105.571 176.252 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 26.3 tpp -52.29 -33.46 42.22 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-N 110.605 -2.998 . . . . 24.44 111.01 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -65.54 -52.5 51.99 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.438 -0.801 . . . . 11.27 111.849 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 127' ' ' HOH . 0.3 OUTLIER -53.42 -50.13 65.85 Favored 'General case' 0 CA--C 1.551 1.014 1 O-C-N 130.46 4.85 . . . . 26.9 107.562 179.68 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . 0.272 90.0 t80 -58.75 -46.77 86.7 Favored 'General case' 0 N--CA 1.508 2.457 1 O-C-N 129.442 4.214 . . . . 12.21 113.003 -177.737 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.296 12.6 mt -61.54 -23.44 65.95 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 115.596 1.702 . . . . 12.72 115.596 179.759 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.9 m -58.85 -51.74 68.73 Favored 'General case' 0 C--O 1.26 1.613 0 N-CA-C 115.423 1.638 . . . . 13.67 115.423 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.57 ' HB3' ' HB2' ' A' ' 73' ' ' LYS . 2.1 t-20 -160.0 90.45 1.81 Allowed Pre-proline 0 C--O 1.254 1.321 0 C-N-CA 126.289 1.836 . . . . 19.24 108.536 -177.679 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 172' ' ' HOH . 77.6 Cg_exo -52.06 -53.47 6.91 Favored 'Trans proline' 0 C--O 1.251 1.151 1 O-C-N 129.745 4.55 . . . . 10.84 114.961 -177.578 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.488 HM12 ' O ' ' A' ' 78' ' ' THR . . . . . . . . 0 CA--C 1.514 -0.41 0 O-C-N 128.155 3.409 . . . . 19.53 108.934 178.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 70' ' ' ASN . 0.5 OUTLIER -66.84 -53.42 32.79 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 127.955 3.285 . . . . 20.51 106.608 -179.698 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -69.28 -39.31 78.45 Favored 'General case' 0 C--N 1.281 -2.372 0 C-N-CA 130.581 3.553 . . . . 28.35 111.839 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.78 80.96 68.67 Favored Pre-proline 0 N--CA 1.478 0.954 0 CA-C-O 122.993 1.378 . . . . 23.55 113.621 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.74 114.35 1.81 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 124.48 3.453 . . . . 16.97 111.434 -179.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.91 11.66 56.34 Favored Glycine 0 N--CA 1.435 -1.399 0 C-N-CA 127.311 2.386 . . . . 15.05 117.892 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . 0.488 ' O ' HM12 ' A' ' 72' ' ' M3L . 7.3 t -68.86 144.1 54.34 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 114.239 -2.791 . . . . 13.36 107.808 178.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.4 ' NZ ' ' O ' ' A' ' 47' ' ' SER . 47.7 pttt -87.89 14.44 8.81 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 122.4 2.364 . . . . 17.58 113.016 177.323 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.2 ttt -82.12 106.7 14.23 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 104.462 -2.421 . . . . 13.93 104.462 178.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.18 65.88 9.29 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 128.178 3.424 . . . . 17.51 110.289 -178.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -127.35 124.73 39.33 Favored 'General case' 0 N--CA 1.507 2.407 0 C-N-CA 117.771 -1.572 . . . . 20.08 107.737 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -47.68 -59.9 5.73 Favored Glycine 0 C--O 1.226 -0.375 0 CA-C-N 112.465 -2.152 . . . . 20.26 113.05 -177.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.18 164.48 9.98 Favored Glycine 0 N--CA 1.512 3.75 0 N-CA-C 104.26 -3.536 . . . . 19.94 104.26 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.419 HD22 ' HB3' ' A' ' 90' ' ' ASP . 13.0 mt -115.35 95.02 4.97 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 128.274 2.985 . . . . 16.27 103.284 -178.826 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.496 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 10.4 mmtt -68.71 -30.72 69.42 Favored 'General case' 0 C--O 1.271 2.206 0 N-CA-C 115.424 1.639 . . . . 32.12 115.424 -177.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.634 ' HD2' ' O ' ' A' ' 151' ' ' HOH . 35.4 mttp -79.13 114.53 18.15 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 124.924 1.39 . . . . 23.18 110.533 -177.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -53.41 -43.26 67.8 Favored 'General case' 0 C--O 1.253 1.255 0 O-C-N 127.339 2.899 . . . . 25.69 110.584 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . 0.25 0.3 OUTLIER -55.85 -39.17 71.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 112.625 -3.56 . . . . 24.53 107.969 -179.469 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.494 ' OD2' ' HB2' ' A' ' 87' ' ' LYS . 81.4 m-20 -64.5 -45.73 86.0 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 127.498 2.999 . . . . 17.11 111.929 179.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.2 mtm-85 -63.08 -43.48 98.44 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 112.481 -2.145 . . . . 24.31 109.882 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.22 -47.67 85.02 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 127.939 3.274 . . . . 11.28 106.927 -178.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -58.78 -58.44 8.58 Favored 'General case' 0 C--O 1.272 2.263 0 O-C-N 128.222 3.451 . . . . 11.92 110.831 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.0 p -52.21 -53.54 42.15 Favored 'General case' 0 C--O 1.261 1.67 0 CA-C-N 114.016 -1.447 . . . . 13.92 112.145 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.4 -25.47 36.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.828 -1.17 . . . . 11.59 110.067 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . 0.422 HG21 ' O ' ' A' ' 1' ' ' GLY 0.377 91.9 m -65.78 -43.95 87.27 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 112.523 -2.126 . . . . 13.27 107.546 -177.566 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -69.96 -43.15 72.13 Favored 'General case' 0 C--O 1.256 1.428 0 C-N-CA 127.818 2.447 . . . . 12.46 115.378 178.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.309 17.7 mt -63.8 -41.96 97.8 Favored 'General case' 0 C--O 1.26 1.654 0 O-C-N 125.8 1.938 . . . . 17.09 108.324 -178.428 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.419 ' HD2' ' HB3' ' A' ' 61' ' ' GLU . 7.5 mtpp -58.77 -43.71 90.47 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 125.548 2.594 . . . . 26.09 109.785 177.59 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -65.88 -64.78 0.78 Allowed 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 110.805 -2.907 . . . . 29.64 111.595 177.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.27 72.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 118.937 2.94 . . . . 12.68 118.937 -175.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . 0.25 27.6 p -83.65 -1.15 53.34 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 115.051 1.5 . . . . 15.46 115.051 -179.426 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.258 1.532 0 CA-C-O 112.774 -3.488 . . . . 28.67 112.018 179.306 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HEM . . . . . 0.483 ' O2A' ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . 0.409 ' O ' ' HA ' ' A' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . 0.674 ' O ' ' HB3' ' A' ' 60' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . 0.458 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . 0.501 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . 0.634 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . 0.405 ' O ' ' HD2' ' A' ' 71' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . 0.558 ' O ' ' HA ' ' A' ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' HOH . . . . . 0.649 ' O ' ' HB3' ' A' ' 26' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' HOH . . . . . 0.695 ' O ' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . 0.48 ' O ' ' HE3' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . 0.507 ' O ' ' HB3' ' A' ' -4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . 0.527 ' O ' ' HE2' ' A' ' -2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_