data_1dei_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 1dei _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.296 0 N-CA-C 105.198 -3.161 . . . . 8.64 105.198 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -57.83 -34.09 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 120.205 2.002 . . . . 9.37 115.188 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.63 -44.19 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 O-C-N 119.914 -1.741 . . . . 7.92 108.196 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.53 -39.79 95.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 122.271 2.305 . . . . 12.92 111.297 -179.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -80.62 -35.91 33.36 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 114.12 1.156 . . . . 15.32 114.12 -172.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -112.94 -20.47 11.55 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 115.408 1.633 . . . . 8.13 115.408 -174.741 -64.361 -72.977 103.541 102.69 2.022 105.611 -152.852 68.324 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -101.75 -57.26 2.11 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 118.335 0.516 . . . . 9.94 110.387 179.038 173.843 56.296 98.106 108.975 2.015 104.081 -80.823 -56.128 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -63.85 -48.96 74.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 119.468 1.031 . . . . 10.0 108.229 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.4 m -106.27 172.58 6.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 120.422 -1.424 . . . . 10.04 107.845 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.4 mt -94.22 135.69 27.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 105.692 -1.966 . . . . 12.49 105.692 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.6 p -116.43 157.59 24.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.374 1.083 . . . . 8.93 111.159 175.069 68.324 -152.852 103.541 105.611 2.022 102.69 -72.977 -64.361 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.8 p -81.81 170.08 16.12 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 120.018 -1.676 . . . . 9.99 110.856 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -41.03 92.04 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.26 -0.9 . . . . 13.25 109.535 176.518 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.17 -31.23 65.75 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.286 -2.134 . . . . 40.75 109.612 -174.787 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.68 -46.19 83.49 Favored 'General case' 0 C--N 1.338 0.103 0 O-C-N 120.313 -1.492 . . . . 16.74 110.682 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -40.81 94.75 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 121.326 -0.859 . . . . 14.38 109.573 178.207 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -61.32 -26.93 68.13 Favored 'General case' 0 C--N 1.363 1.191 0 CA-C-O 123.393 1.568 . . . . 12.06 112.731 -179.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -73.45 -20.3 60.74 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 119.54 -1.975 . . . . 19.33 111.714 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -77.41 -4.68 46.54 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 116.213 -1.851 . . . . 18.68 111.715 176.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.9 m -77.68 135.79 38.11 Favored 'General case' 0 C--O 1.262 1.763 0 CA-C-N 120.964 1.711 . . . . 14.02 108.777 -178.241 -56.897 -66.372 -75.189 104.321 2.003 103.987 -63.09 -49.337 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 N--CA 1.45 -0.44 0 CA-C-N 109.868 -3.333 . . . . 22.25 107.072 -177.353 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.7 t80 . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 117.273 -1.346 . . . . 33.85 107.692 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.2 t -131.01 121.05 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 105.446 -2.057 . . . . 27.99 105.446 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -83.64 118.63 23.97 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 118.447 -2.658 . . . . 23.32 108.103 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -96.0 2.48 53.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 120.473 1.488 . . . . 21.55 110.847 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -78.09 148.06 34.39 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 119.351 -2.093 . . . . 13.58 109.724 173.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 mt -123.46 103.44 8.47 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 107.52 -1.289 . . . . 12.27 107.52 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.1 m -127.95 153.54 46.59 Favored 'General case' 0 C--O 1.253 1.279 0 C-N-CA 124.004 0.922 . . . . 10.05 112.025 -176.206 -56.128 -80.823 98.106 104.081 2.015 108.975 56.296 173.843 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.79 -131.59 47.43 Favored Glycine 0 CA--C 1.508 -0.389 0 O-C-N 124.722 1.263 . . . . 8.78 113.102 175.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 95.5 p -61.13 -32.36 72.06 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.583 0.706 . . . . 8.98 110.136 -178.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -64.94 -34.2 77.85 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 118.661 -2.524 . . . . 26.34 113.007 176.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -43.49 86.03 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.394 -0.965 . . . . 12.98 108.394 175.022 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.7 -41.6 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 107.847 -1.168 . . . . 10.6 107.847 -176.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.22 -41.28 97.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 121.472 -0.768 . . . . 12.22 111.633 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.12 86.21 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 108.625 -0.88 . . . . 7.72 108.625 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.24 -32.75 73.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 120.261 -1.525 . . . . 14.25 110.72 175.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -68.64 -37.89 80.04 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.421 -1.326 . . . . 37.61 107.421 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.1 tp -67.96 -50.56 55.12 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.869 1.213 . . . . 12.2 112.085 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -72.78 -40.57 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 113.907 -1.497 . . . . 13.13 112.664 -171.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.4 m -96.11 -24.31 16.36 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.485 0.921 . . . . 20.69 113.485 -176.506 -49.337 -63.09 -75.189 103.987 2.003 104.321 -66.372 -56.897 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.26 139.9 44.61 Favored Glycine 0 CA--C 1.508 -0.361 0 N-CA-C 111.617 -0.593 . . . . 24.63 111.617 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -90.1 114.17 26.04 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.817 -1.402 . . . . 22.24 109.573 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -162.48 119.2 1.98 Allowed 'General case' 0 C--O 1.25 1.13 0 N-CA-C 104.889 -2.263 . . . . 23.88 104.889 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.464 0 CA-C-N 113.904 -1.498 . . . . 23.73 111.458 172.873 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.729 0 N-CA-C 109.314 -1.514 . . . . 13.24 109.314 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt -64.5 -34.81 71.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 114.766 1.395 . . . . 24.29 114.766 -170.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.13 -39.54 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 119.586 -1.946 . . . . 15.97 107.701 -176.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -66.18 -43.98 85.29 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.261 -1.336 . . . . 21.0 111.061 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -70.48 -41.03 73.26 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 114.586 1.328 . . . . 15.06 114.586 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 83.5 m -106.19 -25.38 12.02 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 116.452 2.019 . . . . 11.41 116.452 -172.201 -64.295 -71.32 100.43 105.211 1.996 100.358 -161.345 76.807 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 47.5 t -98.49 -52.56 3.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 118.118 0.417 . . . . 12.12 110.046 -179.225 179.097 54.369 103.027 107.892 2.029 102.851 -82.983 -56.48 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 32.9 m -70.74 -52.47 20.63 Favored 'General case' 0 C--N 1.312 -1.022 0 O-C-N 119.354 -2.091 . . . . 13.93 109.601 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 37.0 m -98.23 -172.05 2.27 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 121.049 1.75 . . . . 10.73 110.04 176.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -108.04 129.5 62.13 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 122.208 2.277 . . . . 12.51 106.97 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 p -113.76 159.94 19.21 Favored 'General case' 0 N--CA 1.438 -1.029 0 O-C-N 118.552 -2.593 . . . . 8.66 111.627 -178.549 76.807 -161.345 100.43 100.358 1.996 105.211 -71.32 -64.295 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 87.0 p -94.2 165.58 12.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.012 -1.055 . . . . 14.76 111.813 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 33.6 tp -54.99 -37.06 66.08 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.553 -1.967 . . . . 14.52 107.826 175.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -65.71 -41.76 91.94 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 123.658 0.783 . . . . 21.0 111.696 -176.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -62.89 -41.73 99.53 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 117.677 -1.154 . . . . 13.08 110.161 174.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.5 -42.08 96.04 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 121.069 1.759 . . . . 14.73 111.884 176.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -55.34 -31.85 62.04 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 122.954 1.359 . . . . 19.15 114.544 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -67.95 -14.84 63.28 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 121.237 -0.915 . . . . 27.21 111.147 177.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -97.28 2.51 50.86 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 119.419 -2.051 . . . . 29.71 112.497 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 65.8 m -78.33 169.05 18.88 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 124.513 2.101 . . . . 25.27 112.264 -176.017 -57.706 -52.136 -81.983 103.711 2.021 110.179 -56.181 -59.316 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.314 -0.954 0 N-CA-C 100.877 -3.749 . . . . 26.56 100.877 162.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' D' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 114.811 -2.519 . . . . 36.95 106.251 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 t -112.04 99.85 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-N 125.451 3.751 . . . . 28.71 108.212 167.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -60.5 127.51 32.06 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 112.579 -2.1 . . . . 19.18 109.379 174.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -100.77 -15.43 17.66 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 113.965 -1.47 . . . . 25.42 114.821 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -75.85 148.76 38.11 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 118.95 -2.344 . . . . 14.23 112.84 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 65.4 mt -121.02 103.76 9.28 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 105.334 -2.098 . . . . 9.61 105.334 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 61.8 m -125.88 156.49 39.57 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.271 -0.893 . . . . 13.01 112.63 -178.29 -56.48 -82.983 103.027 102.851 2.029 107.892 54.369 179.097 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.95 -133.95 50.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 124.915 1.245 . . . . 16.24 112.803 174.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -63.56 -26.86 68.89 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 123.803 1.763 . . . . 22.14 111.771 -178.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -68.41 -37.01 79.92 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 120.191 -1.568 . . . . 21.3 110.413 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -43.86 97.96 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.949 -0.76 . . . . 16.18 108.949 174.174 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 50.5 t -65.44 -41.58 91.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.074 -1.084 . . . . 16.24 108.074 -178.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -61.84 -36.87 82.46 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 119.136 -2.227 . . . . 19.86 110.216 177.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.71 84.84 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 110.017 -0.364 . . . . 12.74 110.017 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.45 -37.71 83.39 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 116.428 -1.748 . . . . 23.1 110.981 175.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -63.74 -36.52 84.13 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 123.784 2.993 . . . . 33.58 109.634 174.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.03 -52.42 64.05 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 123.008 2.64 . . . . 12.57 113.382 177.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.9 -43.41 79.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 CA-C-N 112.524 -2.125 . . . . 14.31 110.77 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 83.5 m -97.48 5.9 48.96 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 117.174 2.287 . . . . 21.82 117.174 -174.289 -59.316 -56.181 -81.983 110.179 2.021 103.711 -52.136 -57.706 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.99 -174.57 15.33 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 114.53 -3.7 . . . . 25.76 120.807 153.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 59.44 51.63 6.46 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 110.207 -2.996 . . . . 28.72 110.732 -172.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 56.9 mtp85 -126.1 14.07 7.84 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.789 1.28 . . . . 17.23 113.841 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.719 0 CA-C-N 113.584 -1.644 . . . . 16.43 115.678 177.629 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.296 0 N-CA-C 105.198 -3.161 . . . . 8.64 105.198 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -57.83 -34.09 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 120.205 2.002 . . . . 9.37 115.188 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.63 -44.19 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 O-C-N 119.914 -1.741 . . . . 7.92 108.196 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.53 -39.79 95.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 122.271 2.305 . . . . 12.92 111.297 -179.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -80.62 -35.91 33.36 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 114.12 1.156 . . . . 15.32 114.12 -172.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -112.94 -20.47 11.55 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 115.408 1.633 . . . . 8.13 115.408 -174.741 -64.361 -72.977 103.541 102.69 2.022 105.611 -152.852 68.324 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -101.75 -57.26 2.11 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 118.335 0.516 . . . . 9.94 110.387 179.038 173.843 56.296 98.106 108.975 2.015 104.081 -80.823 -56.128 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -63.85 -48.96 74.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 119.468 1.031 . . . . 10.0 108.229 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.4 m -106.27 172.58 6.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 120.422 -1.424 . . . . 10.04 107.845 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.4 mt -94.22 135.69 27.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 105.692 -1.966 . . . . 12.49 105.692 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.6 p -116.43 157.59 24.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.374 1.083 . . . . 8.93 111.159 175.069 68.324 -152.852 103.541 105.611 2.022 102.69 -72.977 -64.361 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.8 p -81.81 170.08 16.12 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 120.018 -1.676 . . . . 9.99 110.856 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -41.03 92.04 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.26 -0.9 . . . . 13.25 109.535 176.518 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.17 -31.23 65.75 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.286 -2.134 . . . . 40.75 109.612 -174.787 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.68 -46.19 83.49 Favored 'General case' 0 C--N 1.338 0.103 0 O-C-N 120.313 -1.492 . . . . 16.74 110.682 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -40.81 94.75 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 121.326 -0.859 . . . . 14.38 109.573 178.207 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -61.32 -26.93 68.13 Favored 'General case' 0 C--N 1.363 1.191 0 CA-C-O 123.393 1.568 . . . . 12.06 112.731 -179.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -73.45 -20.3 60.74 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 119.54 -1.975 . . . . 19.33 111.714 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -77.41 -4.68 46.54 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 116.213 -1.851 . . . . 18.68 111.715 176.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.9 m -77.68 135.79 38.11 Favored 'General case' 0 C--O 1.262 1.763 0 CA-C-N 120.964 1.711 . . . . 14.02 108.777 -178.241 -56.897 -66.372 -75.189 104.321 2.003 103.987 -63.09 -49.337 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 N--CA 1.45 -0.44 0 CA-C-N 109.868 -3.333 . . . . 22.25 107.072 -177.353 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.7 t80 . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 117.273 -1.346 . . . . 33.85 107.692 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.2 t -131.01 121.05 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 105.446 -2.057 . . . . 27.99 105.446 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -83.64 118.63 23.97 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 118.447 -2.658 . . . . 23.32 108.103 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -96.0 2.48 53.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 120.473 1.488 . . . . 21.55 110.847 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -78.09 148.06 34.39 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 119.351 -2.093 . . . . 13.58 109.724 173.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 59.3 mt -123.46 103.44 8.47 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 107.52 -1.289 . . . . 12.27 107.52 179.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.1 m -127.95 153.54 46.59 Favored 'General case' 0 C--O 1.253 1.279 0 C-N-CA 124.004 0.922 . . . . 10.05 112.025 -176.206 -56.128 -80.823 98.106 104.081 2.015 108.975 56.296 173.843 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.79 -131.59 47.43 Favored Glycine 0 CA--C 1.508 -0.389 0 O-C-N 124.722 1.263 . . . . 8.78 113.102 175.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 95.5 p -61.13 -32.36 72.06 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.583 0.706 . . . . 8.98 110.136 -178.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -64.94 -34.2 77.85 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 118.661 -2.524 . . . . 26.34 113.007 176.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 6' ' ' LEU . 0.2 OUTLIER -66.32 -43.49 86.03 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.394 -0.965 . . . . 12.98 108.394 175.022 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.7 -41.6 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 107.847 -1.168 . . . . 10.6 107.847 -176.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.22 -41.28 97.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 121.472 -0.768 . . . . 12.22 111.633 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.12 86.21 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 108.625 -0.88 . . . . 7.72 108.625 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.24 -32.75 73.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 120.261 -1.525 . . . . 14.25 110.72 175.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -68.64 -37.89 80.04 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.421 -1.326 . . . . 37.61 107.421 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . 0.443 ' HA ' ' NH2' ' B' ' 22' ' ' ARG . 33.1 tp -67.96 -50.56 55.12 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.869 1.213 . . . . 12.2 112.085 179.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -72.78 -40.57 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 113.907 -1.497 . . . . 13.13 112.664 -171.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.4 m -96.11 -24.31 16.36 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.485 0.921 . . . . 20.69 113.485 -176.506 -49.337 -63.09 -75.189 103.987 2.003 104.321 -66.372 -56.897 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.26 139.9 44.61 Favored Glycine 0 CA--C 1.508 -0.361 0 N-CA-C 111.617 -0.593 . . . . 24.63 111.617 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -90.1 114.17 26.04 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.817 -1.402 . . . . 22.24 109.573 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' B' ' 17' ' ' LEU . 21.6 ptt180 -162.48 119.2 1.98 Allowed 'General case' 0 C--O 1.25 1.13 0 N-CA-C 104.889 -2.263 . . . . 23.88 104.889 178.69 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.464 0 CA-C-N 113.904 -1.498 . . . . 23.73 111.458 172.873 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.729 0 N-CA-C 109.314 -1.514 . . . . 13.24 109.314 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt -64.5 -34.81 71.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 114.766 1.395 . . . . 24.29 114.766 -170.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.13 -39.54 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 119.586 -1.946 . . . . 15.97 107.701 -176.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -66.18 -43.98 85.29 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.261 -1.336 . . . . 21.0 111.061 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -70.48 -41.03 73.26 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 114.586 1.328 . . . . 15.06 114.586 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 83.5 m -106.19 -25.38 12.02 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 116.452 2.019 . . . . 11.41 116.452 -172.201 -64.295 -71.32 100.43 105.211 1.996 100.358 -161.345 76.807 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 47.5 t -98.49 -52.56 3.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 118.118 0.417 . . . . 12.12 110.046 -179.225 179.097 54.369 103.027 107.892 2.029 102.851 -82.983 -56.48 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 32.9 m -70.74 -52.47 20.63 Favored 'General case' 0 C--N 1.312 -1.022 0 O-C-N 119.354 -2.091 . . . . 13.93 109.601 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 37.0 m -98.23 -172.05 2.27 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 121.049 1.75 . . . . 10.73 110.04 176.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -108.04 129.5 62.13 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 122.208 2.277 . . . . 12.51 106.97 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 p -113.76 159.94 19.21 Favored 'General case' 0 N--CA 1.438 -1.029 0 O-C-N 118.552 -2.593 . . . . 8.66 111.627 -178.549 76.807 -161.345 100.43 100.358 1.996 105.211 -71.32 -64.295 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 87.0 p -94.2 165.58 12.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.012 -1.055 . . . . 14.76 111.813 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 33.6 tp -54.99 -37.06 66.08 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.553 -1.967 . . . . 14.52 107.826 175.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -65.71 -41.76 91.94 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 123.658 0.783 . . . . 21.0 111.696 -176.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -62.89 -41.73 99.53 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 117.677 -1.154 . . . . 13.08 110.161 174.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.5 -42.08 96.04 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 121.069 1.759 . . . . 14.73 111.884 176.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -55.34 -31.85 62.04 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 122.954 1.359 . . . . 19.15 114.544 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -67.95 -14.84 63.28 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 121.237 -0.915 . . . . 27.21 111.147 177.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -97.28 2.51 50.86 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 119.419 -2.051 . . . . 29.71 112.497 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 65.8 m -78.33 169.05 18.88 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 124.513 2.101 . . . . 25.27 112.264 -176.017 -57.706 -52.136 -81.983 103.711 2.021 110.179 -56.181 -59.316 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 . . . . . 0 C--N 1.314 -0.954 0 N-CA-C 100.877 -3.749 . . . . 26.56 100.877 162.469 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' PHE . . . . . 0.495 ' H3 ' ' HD1' ' D' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 114.811 -2.519 . . . . 36.95 106.251 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 t -112.04 99.85 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-N 125.451 3.751 . . . . 28.71 108.212 167.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -60.5 127.51 32.06 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 112.579 -2.1 . . . . 19.18 109.379 174.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -100.77 -15.43 17.66 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 113.965 -1.47 . . . . 25.42 114.821 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -75.85 148.76 38.11 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 118.95 -2.344 . . . . 14.23 112.84 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 65.4 mt -121.02 103.76 9.28 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 105.334 -2.098 . . . . 9.61 105.334 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 61.8 m -125.88 156.49 39.57 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.271 -0.893 . . . . 13.01 112.63 -178.29 -56.48 -82.983 103.027 102.851 2.029 107.892 54.369 179.097 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.95 -133.95 50.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 124.915 1.245 . . . . 16.24 112.803 174.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -63.56 -26.86 68.89 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 123.803 1.763 . . . . 22.14 111.771 -178.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -68.41 -37.01 79.92 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 120.191 -1.568 . . . . 21.3 110.413 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -43.86 97.96 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.949 -0.76 . . . . 16.18 108.949 174.174 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 12' ' ' VAL . . . . . 0.441 ' O ' ' HD1' ' D' ' 16' ' ' TYR . 50.5 t -65.44 -41.58 91.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.074 -1.084 . . . . 16.24 108.074 -178.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -61.84 -36.87 82.46 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 119.136 -2.227 . . . . 19.86 110.216 177.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.71 84.84 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 110.017 -0.364 . . . . 12.74 110.017 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.45 -37.71 83.39 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 116.428 -1.748 . . . . 23.1 110.981 175.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' TYR . . . . . 0.441 ' HD1' ' O ' ' D' ' 12' ' ' VAL . 15.9 m-85 -63.74 -36.52 84.13 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 123.784 2.993 . . . . 33.58 109.634 174.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.03 -52.42 64.05 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 123.008 2.64 . . . . 12.57 113.382 177.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.9 -43.41 79.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 CA-C-N 112.524 -2.125 . . . . 14.31 110.77 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 83.5 m -97.48 5.9 48.96 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 117.174 2.287 . . . . 21.82 117.174 -174.289 -59.316 -56.181 -81.983 110.179 2.021 103.711 -52.136 -57.706 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.99 -174.57 15.33 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 114.53 -3.7 . . . . 25.76 120.807 153.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 59.44 51.63 6.46 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 110.207 -2.996 . . . . 28.72 110.732 -172.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 56.9 mtp85 -126.1 14.07 7.84 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.789 1.28 . . . . 17.23 113.841 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.719 0 CA-C-N 113.584 -1.644 . . . . 16.43 115.678 177.629 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.296 0 N-CA-C 105.198 -3.161 . . . . 8.64 105.198 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -57.83 -34.09 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 120.205 2.002 . . . . 9.37 115.188 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.63 -44.19 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 O-C-N 119.914 -1.741 . . . . 7.92 108.196 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.53 -39.79 95.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 122.271 2.305 . . . . 12.92 111.297 -179.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -80.62 -35.91 33.36 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 114.12 1.156 . . . . 15.32 114.12 -172.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -112.94 -20.47 11.55 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 115.408 1.633 . . . . 8.13 115.408 -174.741 -64.361 -72.977 103.541 102.69 2.022 105.611 -152.852 68.324 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -101.75 -57.26 2.11 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 118.335 0.516 . . . . 9.94 110.387 179.038 173.843 56.296 98.106 108.975 2.015 104.081 -80.823 -56.128 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -63.85 -48.96 74.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 119.468 1.031 . . . . 10.0 108.229 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.4 m -106.27 172.58 6.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 120.422 -1.424 . . . . 10.04 107.845 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.4 mt -94.22 135.69 27.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 105.692 -1.966 . . . . 12.49 105.692 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.6 p -116.43 157.59 24.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.374 1.083 . . . . 8.93 111.159 175.069 68.324 -152.852 103.541 105.611 2.022 102.69 -72.977 -64.361 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.8 p -81.81 170.08 16.12 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 120.018 -1.676 . . . . 9.99 110.856 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -41.03 92.04 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.26 -0.9 . . . . 13.25 109.535 176.518 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.17 -31.23 65.75 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.286 -2.134 . . . . 40.75 109.612 -174.787 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.68 -46.19 83.49 Favored 'General case' 0 C--N 1.338 0.103 0 O-C-N 120.313 -1.492 . . . . 16.74 110.682 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -40.81 94.75 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 121.326 -0.859 . . . . 14.38 109.573 178.207 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -61.32 -26.93 68.13 Favored 'General case' 0 C--N 1.363 1.191 0 CA-C-O 123.393 1.568 . . . . 12.06 112.731 -179.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -73.45 -20.3 60.74 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 119.54 -1.975 . . . . 19.33 111.714 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -77.41 -4.68 46.54 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 116.213 -1.851 . . . . 18.68 111.715 176.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.9 m -77.68 135.79 38.11 Favored 'General case' 0 C--O 1.262 1.763 0 CA-C-N 120.964 1.711 . . . . 14.02 108.777 -178.241 -56.897 -66.372 -75.189 104.321 2.003 103.987 -63.09 -49.337 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 N--CA 1.45 -0.44 0 CA-C-N 109.868 -3.333 . . . . 22.25 107.072 -177.353 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.7 t80 . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 117.273 -1.346 . . . . 33.85 107.692 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.2 t -131.01 121.05 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 105.446 -2.057 . . . . 27.99 105.446 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -83.64 118.63 23.97 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 118.447 -2.658 . . . . 23.32 108.103 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.461 HE21 HH11 ' D' ' 22' ' ' ARG . 36.1 mt-30 -96.0 2.48 53.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 120.473 1.488 . . . . 21.55 110.847 179.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -78.09 148.06 34.39 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 119.351 -2.093 . . . . 13.58 109.724 173.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 59.3 mt -123.46 103.44 8.47 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 107.52 -1.289 . . . . 12.27 107.52 179.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.1 m -127.95 153.54 46.59 Favored 'General case' 0 C--O 1.253 1.279 0 C-N-CA 124.004 0.922 . . . . 10.05 112.025 -176.206 -56.128 -80.823 98.106 104.081 2.015 108.975 56.296 173.843 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.79 -131.59 47.43 Favored Glycine 0 CA--C 1.508 -0.389 0 O-C-N 124.722 1.263 . . . . 8.78 113.102 175.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 95.5 p -61.13 -32.36 72.06 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.583 0.706 . . . . 8.98 110.136 -178.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -64.94 -34.2 77.85 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 118.661 -2.524 . . . . 26.34 113.007 176.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 6' ' ' LEU . 0.2 OUTLIER -66.32 -43.49 86.03 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.394 -0.965 . . . . 12.98 108.394 175.022 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.7 -41.6 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 107.847 -1.168 . . . . 10.6 107.847 -176.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.22 -41.28 97.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 121.472 -0.768 . . . . 12.22 111.633 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.12 86.21 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 108.625 -0.88 . . . . 7.72 108.625 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.24 -32.75 73.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 120.261 -1.525 . . . . 14.25 110.72 175.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -68.64 -37.89 80.04 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.421 -1.326 . . . . 37.61 107.421 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.443 ' HA ' ' NH2' ' B' ' 22' ' ' ARG . 33.1 tp -67.96 -50.56 55.12 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.869 1.213 . . . . 12.2 112.085 179.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -72.78 -40.57 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 113.907 -1.497 . . . . 13.13 112.664 -171.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.4 m -96.11 -24.31 16.36 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.485 0.921 . . . . 20.69 113.485 -176.506 -49.337 -63.09 -75.189 103.987 2.003 104.321 -66.372 -56.897 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.26 139.9 44.61 Favored Glycine 0 CA--C 1.508 -0.361 0 N-CA-C 111.617 -0.593 . . . . 24.63 111.617 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -90.1 114.17 26.04 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.817 -1.402 . . . . 22.24 109.573 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' B' ' 17' ' ' LEU . 21.6 ptt180 -162.48 119.2 1.98 Allowed 'General case' 0 C--O 1.25 1.13 0 N-CA-C 104.889 -2.263 . . . . 23.88 104.889 178.69 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.464 0 CA-C-N 113.904 -1.498 . . . . 23.73 111.458 172.873 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.729 0 N-CA-C 109.314 -1.514 . . . . 13.24 109.314 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt -64.5 -34.81 71.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 114.766 1.395 . . . . 24.29 114.766 -170.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.13 -39.54 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 119.586 -1.946 . . . . 15.97 107.701 -176.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -66.18 -43.98 85.29 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.261 -1.336 . . . . 21.0 111.061 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -70.48 -41.03 73.26 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 114.586 1.328 . . . . 15.06 114.586 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 83.5 m -106.19 -25.38 12.02 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 116.452 2.019 . . . . 11.41 116.452 -172.201 -64.295 -71.32 100.43 105.211 1.996 100.358 -161.345 76.807 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 47.5 t -98.49 -52.56 3.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 118.118 0.417 . . . . 12.12 110.046 -179.225 179.097 54.369 103.027 107.892 2.029 102.851 -82.983 -56.48 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 32.9 m -70.74 -52.47 20.63 Favored 'General case' 0 C--N 1.312 -1.022 0 O-C-N 119.354 -2.091 . . . . 13.93 109.601 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 37.0 m -98.23 -172.05 2.27 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 121.049 1.75 . . . . 10.73 110.04 176.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -108.04 129.5 62.13 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 122.208 2.277 . . . . 12.51 106.97 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 p -113.76 159.94 19.21 Favored 'General case' 0 N--CA 1.438 -1.029 0 O-C-N 118.552 -2.593 . . . . 8.66 111.627 -178.549 76.807 -161.345 100.43 100.358 1.996 105.211 -71.32 -64.295 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' SER . . . . . 0.515 ' H ' ' NE2' ' C' ' 15' ' ' GLN . 87.0 p -94.2 165.58 12.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.012 -1.055 . . . . 14.76 111.813 -178.245 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 33.6 tp -54.99 -37.06 66.08 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.553 -1.967 . . . . 14.52 107.826 175.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -65.71 -41.76 91.94 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 123.658 0.783 . . . . 21.0 111.696 -176.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.515 ' NE2' ' H ' ' C' ' 12' ' ' SER . 60.4 mt-30 -62.89 -41.73 99.53 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 117.677 -1.154 . . . . 13.08 110.161 174.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.5 -42.08 96.04 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 121.069 1.759 . . . . 14.73 111.884 176.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -55.34 -31.85 62.04 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 122.954 1.359 . . . . 19.15 114.544 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -67.95 -14.84 63.28 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 121.237 -0.915 . . . . 27.21 111.147 177.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -97.28 2.51 50.86 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 119.419 -2.051 . . . . 29.71 112.497 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 65.8 m -78.33 169.05 18.88 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 124.513 2.101 . . . . 25.27 112.264 -176.017 -57.706 -52.136 -81.983 103.711 2.021 110.179 -56.181 -59.316 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.314 -0.954 0 N-CA-C 100.877 -3.749 . . . . 26.56 100.877 162.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' PHE . . . . . 0.495 ' H3 ' ' HD1' ' D' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 114.811 -2.519 . . . . 36.95 106.251 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 t -112.04 99.85 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-N 125.451 3.751 . . . . 28.71 108.212 167.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -60.5 127.51 32.06 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 112.579 -2.1 . . . . 19.18 109.379 174.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -100.77 -15.43 17.66 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 113.965 -1.47 . . . . 25.42 114.821 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -75.85 148.76 38.11 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 118.95 -2.344 . . . . 14.23 112.84 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 65.4 mt -121.02 103.76 9.28 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 105.334 -2.098 . . . . 9.61 105.334 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 61.8 m -125.88 156.49 39.57 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.271 -0.893 . . . . 13.01 112.63 -178.29 -56.48 -82.983 103.027 102.851 2.029 107.892 54.369 179.097 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.95 -133.95 50.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 124.915 1.245 . . . . 16.24 112.803 174.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -63.56 -26.86 68.89 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 123.803 1.763 . . . . 22.14 111.771 -178.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' HIS . . . . . 0.458 ' HD2' ' O ' ' D' ' 32' ' ' HOH . 4.6 t60 -68.41 -37.01 79.92 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 120.191 -1.568 . . . . 21.3 110.413 179.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -43.86 97.96 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.949 -0.76 . . . . 16.18 108.949 174.174 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.441 ' O ' ' HD1' ' D' ' 16' ' ' TYR . 50.5 t -65.44 -41.58 91.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.074 -1.084 . . . . 16.24 108.074 -178.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -61.84 -36.87 82.46 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 119.136 -2.227 . . . . 19.86 110.216 177.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.71 84.84 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 110.017 -0.364 . . . . 12.74 110.017 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.45 -37.71 83.39 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 116.428 -1.748 . . . . 23.1 110.981 175.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.441 ' HD1' ' O ' ' D' ' 12' ' ' VAL . 15.9 m-85 -63.74 -36.52 84.13 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 123.784 2.993 . . . . 33.58 109.634 174.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.03 -52.42 64.05 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 123.008 2.64 . . . . 12.57 113.382 177.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.9 -43.41 79.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 CA-C-N 112.524 -2.125 . . . . 14.31 110.77 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 83.5 m -97.48 5.9 48.96 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 117.174 2.287 . . . . 21.82 117.174 -174.289 -59.316 -56.181 -81.983 110.179 2.021 103.711 -52.136 -57.706 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.99 -174.57 15.33 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 114.53 -3.7 . . . . 25.76 120.807 153.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 59.44 51.63 6.46 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 110.207 -2.996 . . . . 28.72 110.732 -172.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.461 HH11 HE21 ' B' ' 4' ' ' GLN . 56.9 mtp85 -126.1 14.07 7.84 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.789 1.28 . . . . 17.23 113.841 -179.891 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.719 0 CA-C-N 113.584 -1.644 . . . . 16.43 115.678 177.629 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' HOH . . . . . 0.458 ' O ' ' HD2' ' D' ' 10' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_