data_6p4z_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6p4z _Structure_validation_residue.Date_analyzed 2019-06-07 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 N--CA 1.453 -0.215 0 CA-C-O 120.379 -0.123 . . . . 31.75 113.398 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tp -70.75 -37.85 70.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.882 0.372 . . . . 29.64 110.805 -172.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.6 t -57.57 -46.18 86.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 O-C-N 121.824 -0.548 . . . . 30.26 110.119 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -74.2 -39.71 62.96 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 122.132 -0.355 . . . . 30.26 111.372 -175.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -63.08 -41.85 99.51 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 112.286 0.476 . . . . 36.49 112.286 -178.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.7 m -66.57 -24.55 66.36 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.924 -0.71 . . . . 20.97 112.655 -179.414 -64.92 -74.583 108.684 103.505 2.027 102.816 -155.726 63.851 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -95.99 -41.34 8.82 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 113.311 0.856 . . . . 27.76 113.311 -174.43 -173.737 48.828 100.864 102.953 2.03 100.411 -89.133 -60.964 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.3 p -80.87 -31.34 35.38 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 111.558 0.207 . . . . 33.92 111.558 178.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 10' ' ' ILE . 31.0 t -126.28 -125.03 0.24 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.222 -0.658 . . . . 34.02 109.222 -179.744 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . 0.405 ' N ' ' OG ' ' A' ' 9' ' ' SER . 44.0 pt -140.02 161.09 26.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 108.234 -1.024 . . . . 36.9 108.234 175.601 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -147.85 158.87 44.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.365 -0.834 . . . . 19.84 108.949 176.908 63.851 -155.726 108.684 102.816 2.027 103.505 -74.583 -64.92 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -103.15 159.35 15.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.844 -0.616 . . . . 18.7 109.929 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.02 -27.77 69.11 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.086 -1.045 . . . . 22.39 111.18 175.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -70.71 -35.74 72.9 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 120.41 -0.516 . . . . 32.35 111.323 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -66.08 -39.0 89.68 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 120.356 -0.538 . . . . 27.24 111.239 172.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.1 mt -63.57 -34.17 77.22 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.488 -0.485 . . . . 24.66 110.886 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -56.96 -22.66 39.81 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.514 0.561 . . . . 37.66 112.514 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -67.08 -16.41 64.32 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.54 -0.464 . . . . 31.14 111.996 -179.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -100.83 2.93 41.55 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 112.472 0.545 . . . . 34.47 112.472 -176.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 m -69.34 154.63 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.81 -0.756 . . . . 27.05 110.401 171.187 -51.512 -50.676 -77.588 103.959 2.022 104.183 -61.16 -58.736 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 m120 . . . . . 0 C--O 1.236 0.372 0 CA-C-O 121.765 0.793 . . . . 46.48 110.942 175.012 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 CA--C 1.52 -0.179 0 N-CA-C 109.667 -0.494 . . . . 32.29 109.667 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 24.5 m -100.67 159.93 3.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.485 -0.932 . . . . 30.73 108.485 -178.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.75 164.89 25.15 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.799 -0.76 . . . . 39.2 110.571 173.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -131.32 141.54 49.95 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.274 -0.875 . . . . 39.06 110.676 -163.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -117.27 106.85 13.72 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 106.538 -1.653 . . . . 31.25 106.538 167.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt -134.97 117.33 15.67 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.922 -0.399 . . . . 20.24 109.922 -166.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -120.83 153.2 37.42 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.346 0.658 . . . . 26.31 109.348 178.185 -60.964 -89.133 100.864 100.411 2.03 102.953 48.828 -173.737 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.07 -140.54 46.79 Favored Glycine 0 C--O 1.238 0.381 0 CA-C-O 122.027 0.793 . . . . 22.81 112.084 171.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p -62.7 -21.49 65.8 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.914 -0.643 . . . . 21.19 112.415 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -62.38 -35.92 80.66 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.093 -0.643 . . . . 20.84 111.221 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.44 -40.88 98.35 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 119.74 -0.784 . . . . 19.3 111.489 175.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.0 t -67.56 -33.88 64.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 C-N-CA 120.423 -0.511 . . . . 24.27 110.186 -178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . 0.441 ' OE1' ' OE2' ' D' ' 13' ' ' GLU . 31.0 mm-40 -65.45 -45.23 84.58 Favored 'General case' 0 C--O 1.198 -1.607 0 N-CA-C 108.254 -1.017 . . . . 61.35 108.254 176.624 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.58 94.04 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.513 -0.875 . . . . 17.0 111.567 179.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 mt -57.65 -42.23 83.06 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.915 -0.714 . . . . 17.01 111.076 178.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -58.65 -43.32 89.74 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 120.887 0.375 . . . . 34.01 111.173 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -70.11 -40.73 74.73 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.258 -0.577 . . . . 27.28 110.878 -176.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.11 -40.89 86.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 120.862 0.363 . . . . 19.67 111.274 -177.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.1 m -94.47 -29.5 14.91 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.528 0.936 . . . . 24.33 113.528 -169.813 -58.736 -61.16 -77.588 104.183 2.022 103.959 -50.676 -51.512 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.42 -136.04 51.37 Favored Glycine 0 C--O 1.238 0.404 0 C-N-CA 120.324 -0.941 . . . . 28.45 111.905 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' B' ' 202' ' ' HOH . . . -64.78 -15.67 61.97 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.291 0.478 . . . . 35.36 112.291 -175.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -68.1 -23.74 64.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.282 -0.967 . . . . 51.18 111.461 178.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 -177.53 34.53 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-O 122.57 1.095 . . . . 24.63 111.531 -173.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -161.87 167.86 24.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 119.735 -0.786 . . . . 19.1 109.645 -174.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -110.31 133.62 53.07 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.901 -1.045 . . . . 40.71 108.527 169.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -106.38 113.29 26.71 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.718 -1.586 . . . . 23.8 106.718 173.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.1 m -133.3 82.4 53.14 Favored Pre-proline 0 C--O 1.238 0.478 0 CA-C-O 120.867 0.365 . . . . 34.54 110.405 -170.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -74.98 163.88 34.48 Favored 'Trans proline' 0 C--N 1.327 -0.588 0 CA-C-O 121.951 0.73 . . . . 28.57 111.627 175.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -81.69 148.14 29.14 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.874 -1.057 . . . . 38.77 110.261 173.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.388 0 N-CA-C 112.684 0.624 . . . . 51.7 112.684 -177.876 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.437 0 N-CA-C 111.37 -0.692 . . . . 34.7 111.37 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 16.2 tt -62.0 -35.7 69.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 119.974 -0.691 . . . . 26.63 111.586 -178.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 84.9 t -67.59 -37.92 79.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 119.75 -0.78 . . . . 32.47 110.209 -178.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -72.58 -38.89 67.77 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.452 -0.899 . . . . 42.62 111.154 179.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -73.48 -38.97 65.24 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.299 -0.56 . . . . 52.99 111.683 -176.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 93.8 m -110.76 -26.78 9.19 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 114.599 1.333 . . . . 27.44 114.599 -165.506 -69.967 -75.175 110.415 102.068 2.046 102.134 -150.357 68.709 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 36.6 t -103.25 -55.26 2.44 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 118.708 0.685 . . . . 35.22 111.338 -179.284 174.333 62.648 100.511 106.492 1.98 105.439 -85.174 -58.014 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 22.5 m -63.27 -56.48 16.18 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.327 -0.549 . . . . 36.28 110.568 174.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 12.5 t -89.22 -161.6 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.732 -0.84 . . . . 30.82 108.732 169.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 16.1 pt -121.53 148.01 25.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 109.008 -0.738 . . . . 32.64 109.008 175.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 p -136.74 159.72 41.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 29.17 109.697 177.584 68.709 -150.357 110.415 102.134 2.046 102.068 -75.175 -69.967 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 79.5 p -88.12 163.3 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.073 -0.967 . . . . 29.53 110.197 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.17 -31.08 70.82 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.714 -0.794 . . . . 36.46 110.815 174.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -62.67 -45.47 92.63 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.832 -0.347 . . . . 44.38 111.529 173.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . . . -59.46 -37.24 77.67 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 119.626 -0.83 . . . . 33.26 110.863 173.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.88 -27.69 68.33 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.08 -0.648 . . . . 28.3 112.374 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' C' ' 101' ' ' HOH . 36.7 mt-10 -66.17 -14.89 62.59 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 119.71 -0.796 . . . . 43.26 112.438 177.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.43 -21.67 60.35 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.61 -0.836 . . . . 28.73 112.115 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -103.58 8.11 37.63 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 123.384 0.674 . . . . 25.1 112.437 -173.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 68.7 m -73.66 155.7 38.74 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.651 -0.82 . . . . 28.02 110.067 169.957 -58.219 -38.723 -87.526 105.91 1.997 103.275 -58.566 -61.189 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 121.958 0.885 . . . . 37.56 111.388 167.289 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 C--O 1.223 -0.309 0 CA-C-O 121.233 0.54 . . . . 31.71 111.621 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -122.48 112.58 18.22 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.711 -1.218 . . . . 24.95 107.711 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -130.56 148.86 52.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.081 0.467 . . . . 31.14 110.816 -174.585 -58.014 -85.174 100.511 105.439 1.98 106.492 62.648 174.333 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.61 -136.75 44.49 Favored Glycine 0 C--O 1.239 0.457 0 C-N-CA 119.796 -1.192 . . . . 24.74 112.519 169.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 78.0 p -62.68 -24.92 67.88 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 119.322 -0.951 . . . . 31.46 111.209 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -69.43 -38.13 77.73 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.076 -0.65 . . . . 25.49 111.04 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.56 -43.49 96.89 Favored 'General case' 0 C--O 1.241 0.65 0 O-C-N 122.152 -0.342 . . . . 21.11 111.673 174.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.06 -30.92 33.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 C-N-CA 117.952 -1.499 . . . . 24.46 111.488 -179.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' GLU . . . . . 0.441 ' OE2' ' OE1' ' B' ' 13' ' ' GLU . 32.2 mm-40 -58.75 -40.76 84.79 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 121.37 -0.831 . . . . 50.24 111.33 171.079 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.32 75.45 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 121.936 -0.477 . . . . 15.93 111.948 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -60.06 -47.19 86.89 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.934 -0.706 . . . . 22.82 110.478 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -53.35 -44.79 68.78 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 120.265 -0.574 . . . . 25.72 110.504 175.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -63.21 -45.35 92.1 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.891 -0.724 . . . . 31.04 111.857 -177.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.11 -30.4 11.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 118.358 -1.337 . . . . 29.28 111.312 -173.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 75.9 m -96.45 -37.68 10.34 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 113.321 0.86 . . . . 23.3 113.321 -172.681 -61.189 -58.566 -87.526 103.275 1.997 105.91 -38.723 -58.219 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.84 -127.73 35.53 Favored Glycine 0 C--O 1.239 0.429 0 C-N-CA 120.768 -0.729 . . . . 26.04 112.744 175.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . . . -66.04 -17.72 64.88 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 112.744 0.646 . . . . 30.11 112.744 -175.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -64.07 -25.94 68.33 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 119.278 -0.969 . . . . 31.39 110.641 176.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.17 174.56 40.93 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 110.103 -1.199 . . . . 17.47 110.103 -173.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -163.0 171.22 16.85 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.725 -0.843 . . . . 21.57 108.725 -176.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -125.68 137.21 53.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.812 -1.085 . . . . 21.58 108.725 174.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -113.23 108.04 16.73 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.448 -1.686 . . . . 32.21 106.448 174.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 23.9 p -129.28 78.7 75.5 Favored Pre-proline 0 C--O 1.236 0.368 0 N-CA-C 108.024 -1.102 . . . . 28.29 108.024 -174.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -64.65 -23.95 63.07 Favored 'Trans proline' 0 C--O 1.239 0.574 0 N-CA-C 114.426 0.895 . . . . 39.03 114.426 -174.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.48 -14.61 60.44 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.118 -1.033 . . . . 34.98 111.416 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 32.1 m . . . . . 0 C--O 1.239 0.507 0 C-N-CA 126.476 1.91 . . . . 47.34 110.425 179.865 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ' GD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' ' CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . 0.466 ' O ' ' N ' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . 0.439 ' O ' ' OE1' ' C' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.215 0 CA-C-O 120.379 -0.123 . . . . 31.75 113.398 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tp -70.75 -37.85 70.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.882 0.372 . . . . 29.64 110.805 -172.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' B' ' 28' ' ' PRO . 71.6 t -57.57 -46.18 86.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 O-C-N 121.824 -0.548 . . . . 30.26 110.119 176.051 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -74.2 -39.71 62.96 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 122.132 -0.355 . . . . 30.26 111.372 -175.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -63.08 -41.85 99.51 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 112.286 0.476 . . . . 36.49 112.286 -178.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.7 m -66.57 -24.55 66.36 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.924 -0.71 . . . . 20.97 112.655 -179.414 -64.92 -74.583 108.684 103.505 2.027 102.816 -155.726 63.851 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -95.99 -41.34 8.82 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 113.311 0.856 . . . . 27.76 113.311 -174.43 -173.737 48.828 100.864 102.953 2.03 100.411 -89.133 -60.964 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.3 p -80.87 -31.34 35.38 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 111.558 0.207 . . . . 33.92 111.558 178.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 10' ' ' ILE . 31.0 t -126.28 -125.03 0.24 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.222 -0.658 . . . . 34.02 109.222 -179.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . 0.405 ' N ' ' OG ' ' A' ' 9' ' ' SER . 44.0 pt -140.02 161.09 26.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 108.234 -1.024 . . . . 36.9 108.234 175.601 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -147.85 158.87 44.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.365 -0.834 . . . . 19.84 108.949 176.908 63.851 -155.726 108.684 102.816 2.027 103.505 -74.583 -64.92 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -103.15 159.35 15.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.844 -0.616 . . . . 18.7 109.929 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.02 -27.77 69.11 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.086 -1.045 . . . . 22.39 111.18 175.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -70.71 -35.74 72.9 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 120.41 -0.516 . . . . 32.35 111.323 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -66.08 -39.0 89.68 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 120.356 -0.538 . . . . 27.24 111.239 172.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.1 mt -63.57 -34.17 77.22 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.488 -0.485 . . . . 24.66 110.886 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -56.96 -22.66 39.81 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.514 0.561 . . . . 37.66 112.514 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -67.08 -16.41 64.32 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.54 -0.464 . . . . 31.14 111.996 -179.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -100.83 2.93 41.55 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 112.472 0.545 . . . . 34.47 112.472 -176.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 m -69.34 154.63 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.81 -0.756 . . . . 27.05 110.401 171.187 -51.512 -50.676 -77.588 103.959 2.022 104.183 -61.16 -58.736 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.541 ' HB2' ' O ' ' B' ' 22' ' ' ARG . 19.8 m120 . . . . . 0 C--O 1.236 0.372 0 CA-C-O 121.765 0.793 . . . . 46.48 110.942 175.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 CA--C 1.52 -0.179 0 N-CA-C 109.667 -0.494 . . . . 32.29 109.667 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 24.5 m -100.67 159.93 3.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.485 -0.932 . . . . 30.73 108.485 -178.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.75 164.89 25.15 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.799 -0.76 . . . . 39.2 110.571 173.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -131.32 141.54 49.95 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.274 -0.875 . . . . 39.06 110.676 -163.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -117.27 106.85 13.72 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 106.538 -1.653 . . . . 31.25 106.538 167.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt -134.97 117.33 15.67 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.922 -0.399 . . . . 20.24 109.922 -166.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -120.83 153.2 37.42 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.346 0.658 . . . . 26.31 109.348 178.185 -60.964 -89.133 100.864 100.411 2.03 102.953 48.828 -173.737 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.07 -140.54 46.79 Favored Glycine 0 C--O 1.238 0.381 0 CA-C-O 122.027 0.793 . . . . 22.81 112.084 171.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p -62.7 -21.49 65.8 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.914 -0.643 . . . . 21.19 112.415 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -62.38 -35.92 80.66 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.093 -0.643 . . . . 20.84 111.221 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.44 -40.88 98.35 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 119.74 -0.784 . . . . 19.3 111.489 175.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.0 t -67.56 -33.88 64.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 C-N-CA 120.423 -0.511 . . . . 24.27 110.186 -178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . 0.441 ' OE1' ' OE2' ' D' ' 13' ' ' GLU . 31.0 mm-40 -65.45 -45.23 84.58 Favored 'General case' 0 C--O 1.198 -1.607 0 N-CA-C 108.254 -1.017 . . . . 61.35 108.254 176.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.58 94.04 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.513 -0.875 . . . . 17.0 111.567 179.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 mt -57.65 -42.23 83.06 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.915 -0.714 . . . . 17.01 111.076 178.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -58.65 -43.32 89.74 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 120.887 0.375 . . . . 34.01 111.173 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -70.11 -40.73 74.73 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.258 -0.577 . . . . 27.28 110.878 -176.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.11 -40.89 86.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 120.862 0.363 . . . . 19.67 111.274 -177.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.1 m -94.47 -29.5 14.91 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.528 0.936 . . . . 24.33 113.528 -169.813 -58.736 -61.16 -77.588 104.183 2.022 103.959 -50.676 -51.512 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.42 -136.04 51.37 Favored Glycine 0 C--O 1.238 0.404 0 C-N-CA 120.324 -0.941 . . . . 28.45 111.905 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . . . -64.78 -15.67 61.97 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.291 0.478 . . . . 35.36 112.291 -175.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . 0.541 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 26.8 mtp180 -68.1 -23.74 64.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.282 -0.967 . . . . 51.18 111.461 178.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 -177.53 34.53 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-O 122.57 1.095 . . . . 24.63 111.531 -173.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -161.87 167.86 24.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 119.735 -0.786 . . . . 19.1 109.645 -174.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . 0.447 ' HD1' HD21 ' A' ' 21' ' ' ASN . 10.1 m-85 -110.31 133.62 53.07 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.901 -1.045 . . . . 40.71 108.527 169.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -106.38 113.29 26.71 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.718 -1.586 . . . . 23.8 106.718 173.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.1 m -133.3 82.4 53.14 Favored Pre-proline 0 C--O 1.238 0.478 0 CA-C-O 120.867 0.365 . . . . 34.54 110.405 -170.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . 0.449 ' HB3' HG11 ' A' ' 3' ' ' VAL . 28.9 Cg_endo -74.98 163.88 34.48 Favored 'Trans proline' 0 C--N 1.327 -0.588 0 CA-C-O 121.951 0.73 . . . . 28.57 111.627 175.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -81.69 148.14 29.14 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.874 -1.057 . . . . 38.77 110.261 173.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.388 0 N-CA-C 112.684 0.624 . . . . 51.7 112.684 -177.876 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLY . . . . . 0.429 ' O ' ' HG2' ' C' ' 5' ' ' GLN . . . . . . . . 0 CA--C 1.521 0.437 0 N-CA-C 111.37 -0.692 . . . . 34.7 111.37 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ILE . . . . . 0.486 HG12 HD21 ' D' ' 11' ' ' LEU . 16.2 tt -62.0 -35.7 69.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 119.974 -0.691 . . . . 26.63 111.586 -178.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 84.9 t -67.59 -37.92 79.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 119.75 -0.78 . . . . 32.47 110.209 -178.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -72.58 -38.89 67.77 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.452 -0.899 . . . . 42.62 111.154 179.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' C' ' 1' ' ' GLY . 95.6 mm-40 -73.48 -38.97 65.24 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.299 -0.56 . . . . 52.99 111.683 -176.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 93.8 m -110.76 -26.78 9.19 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 114.599 1.333 . . . . 27.44 114.599 -165.506 -69.967 -75.175 110.415 102.068 2.046 102.134 -150.357 68.709 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 36.6 t -103.25 -55.26 2.44 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 118.708 0.685 . . . . 35.22 111.338 -179.284 174.333 62.648 100.511 106.492 1.98 105.439 -85.174 -58.014 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 22.5 m -63.27 -56.48 16.18 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.327 -0.549 . . . . 36.28 110.568 174.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 12.5 t -89.22 -161.6 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.732 -0.84 . . . . 30.82 108.732 169.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 16.1 pt -121.53 148.01 25.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 109.008 -0.738 . . . . 32.64 109.008 175.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 p -136.74 159.72 41.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 29.17 109.697 177.584 68.709 -150.357 110.415 102.134 2.046 102.068 -75.175 -69.967 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 79.5 p -88.12 163.3 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.073 -0.967 . . . . 29.53 110.197 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.17 -31.08 70.82 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.714 -0.794 . . . . 36.46 110.815 174.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -62.67 -45.47 92.63 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.832 -0.347 . . . . 44.38 111.529 173.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . . . -59.46 -37.24 77.67 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 119.626 -0.83 . . . . 33.26 110.863 173.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.88 -27.69 68.33 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.08 -0.648 . . . . 28.3 112.374 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' C' ' 101' ' ' HOH . 36.7 mt-10 -66.17 -14.89 62.59 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 119.71 -0.796 . . . . 43.26 112.438 177.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.43 -21.67 60.35 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.61 -0.836 . . . . 28.73 112.115 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -103.58 8.11 37.63 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 123.384 0.674 . . . . 25.1 112.437 -173.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 68.7 m -73.66 155.7 38.74 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.651 -0.82 . . . . 28.02 110.067 169.957 -58.219 -38.723 -87.526 105.91 1.997 103.275 -58.566 -61.189 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 121.958 0.885 . . . . 37.56 111.388 167.289 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 C--O 1.223 -0.309 0 CA-C-O 121.233 0.54 . . . . 31.71 111.621 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -122.48 112.58 18.22 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.711 -1.218 . . . . 24.95 107.711 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -130.56 148.86 52.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.081 0.467 . . . . 31.14 110.816 -174.585 -58.014 -85.174 100.511 105.439 1.98 106.492 62.648 174.333 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.61 -136.75 44.49 Favored Glycine 0 C--O 1.239 0.457 0 C-N-CA 119.796 -1.192 . . . . 24.74 112.519 169.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' SER . . . . . 0.493 ' HA ' HG22 ' D' ' 12' ' ' VAL . 78.0 p -62.68 -24.92 67.88 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 119.322 -0.951 . . . . 31.46 111.209 -178.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -69.43 -38.13 77.73 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.076 -0.65 . . . . 25.49 111.04 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' LEU . . . . . 0.486 HD21 HG12 ' C' ' 2' ' ' ILE . 24.5 tp -63.56 -43.49 96.89 Favored 'General case' 0 C--O 1.241 0.65 0 O-C-N 122.152 -0.342 . . . . 21.11 111.673 174.612 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 12' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' D' ' 9' ' ' SER . 34.3 m -73.06 -30.92 33.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 C-N-CA 117.952 -1.499 . . . . 24.46 111.488 -179.575 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 13' ' ' GLU . . . . . 0.441 ' OE2' ' OE1' ' B' ' 13' ' ' GLU . 32.2 mm-40 -58.75 -40.76 84.79 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 121.37 -0.831 . . . . 50.24 111.33 171.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.32 75.45 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 121.936 -0.477 . . . . 15.93 111.948 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -60.06 -47.19 86.89 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.934 -0.706 . . . . 22.82 110.478 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -53.35 -44.79 68.78 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 120.265 -0.574 . . . . 25.72 110.504 175.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -63.21 -45.35 92.1 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.891 -0.724 . . . . 31.04 111.857 -177.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.11 -30.4 11.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 118.358 -1.337 . . . . 29.28 111.312 -173.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 75.9 m -96.45 -37.68 10.34 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 113.321 0.86 . . . . 23.3 113.321 -172.681 -61.189 -58.566 -87.526 103.275 1.997 105.91 -38.723 -58.219 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.84 -127.73 35.53 Favored Glycine 0 C--O 1.239 0.429 0 C-N-CA 120.768 -0.729 . . . . 26.04 112.744 175.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . . . -66.04 -17.72 64.88 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 112.744 0.646 . . . . 30.11 112.744 -175.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -64.07 -25.94 68.33 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 119.278 -0.969 . . . . 31.39 110.641 176.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.17 174.56 40.93 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 110.103 -1.199 . . . . 17.47 110.103 -173.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -163.0 171.22 16.85 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.725 -0.843 . . . . 21.57 108.725 -176.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -125.68 137.21 53.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.812 -1.085 . . . . 21.58 108.725 174.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -113.23 108.04 16.73 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.448 -1.686 . . . . 32.21 106.448 174.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 23.9 p -129.28 78.7 75.5 Favored Pre-proline 0 C--O 1.236 0.368 0 N-CA-C 108.024 -1.102 . . . . 28.29 108.024 -174.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -64.65 -23.95 63.07 Favored 'Trans proline' 0 C--O 1.239 0.574 0 N-CA-C 114.426 0.895 . . . . 39.03 114.426 -174.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.48 -14.61 60.44 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.118 -1.033 . . . . 34.98 111.416 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 32.1 m . . . . . 0 C--O 1.239 0.507 0 C-N-CA 126.476 1.91 . . . . 47.34 110.425 179.865 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ' GD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 102' ' ' ' CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . 0.439 ' O ' ' OE1' ' C' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.215 0 CA-C-O 120.379 -0.123 . . . . 31.75 113.398 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tp -70.75 -37.85 70.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.882 0.372 . . . . 29.64 110.805 -172.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' B' ' 28' ' ' PRO . 71.6 t -57.57 -46.18 86.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 O-C-N 121.824 -0.548 . . . . 30.26 110.119 176.051 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -74.2 -39.71 62.96 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 122.132 -0.355 . . . . 30.26 111.372 -175.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -63.08 -41.85 99.51 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 112.286 0.476 . . . . 36.49 112.286 -178.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.7 m -66.57 -24.55 66.36 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.924 -0.71 . . . . 20.97 112.655 -179.414 -64.92 -74.583 108.684 103.505 2.027 102.816 -155.726 63.851 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -95.99 -41.34 8.82 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 113.311 0.856 . . . . 27.76 113.311 -174.43 -173.737 48.828 100.864 102.953 2.03 100.411 -89.133 -60.964 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.3 p -80.87 -31.34 35.38 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 111.558 0.207 . . . . 33.92 111.558 178.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 10' ' ' ILE . 31.0 t -126.28 -125.03 0.24 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 109.222 -0.658 . . . . 34.02 109.222 -179.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.405 ' N ' ' OG ' ' A' ' 9' ' ' SER . 44.0 pt -140.02 161.09 26.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 108.234 -1.024 . . . . 36.9 108.234 175.601 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -147.85 158.87 44.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.365 -0.834 . . . . 19.84 108.949 176.908 63.851 -155.726 108.684 102.816 2.027 103.505 -74.583 -64.92 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -103.15 159.35 15.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.844 -0.616 . . . . 18.7 109.929 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.02 -27.77 69.11 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.086 -1.045 . . . . 22.39 111.18 175.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -70.71 -35.74 72.9 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 120.41 -0.516 . . . . 32.35 111.323 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -66.08 -39.0 89.68 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 120.356 -0.538 . . . . 27.24 111.239 172.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.1 mt -63.57 -34.17 77.22 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.488 -0.485 . . . . 24.66 110.886 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -56.96 -22.66 39.81 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.514 0.561 . . . . 37.66 112.514 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -67.08 -16.41 64.32 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.54 -0.464 . . . . 31.14 111.996 -179.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -100.83 2.93 41.55 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 112.472 0.545 . . . . 34.47 112.472 -176.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 m -69.34 154.63 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.81 -0.756 . . . . 27.05 110.401 171.187 -51.512 -50.676 -77.588 103.959 2.022 104.183 -61.16 -58.736 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.541 ' HB2' ' O ' ' B' ' 22' ' ' ARG . 19.8 m120 . . . . . 0 C--O 1.236 0.372 0 CA-C-O 121.765 0.793 . . . . 46.48 110.942 175.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 CA--C 1.52 -0.179 0 N-CA-C 109.667 -0.494 . . . . 32.29 109.667 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 24.5 m -100.67 159.93 3.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.485 -0.932 . . . . 30.73 108.485 -178.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.75 164.89 25.15 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.799 -0.76 . . . . 39.2 110.571 173.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -131.32 141.54 49.95 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.274 -0.875 . . . . 39.06 110.676 -163.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -117.27 106.85 13.72 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 106.538 -1.653 . . . . 31.25 106.538 167.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt -134.97 117.33 15.67 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.922 -0.399 . . . . 20.24 109.922 -166.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -120.83 153.2 37.42 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.346 0.658 . . . . 26.31 109.348 178.185 -60.964 -89.133 100.864 100.411 2.03 102.953 48.828 -173.737 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.07 -140.54 46.79 Favored Glycine 0 C--O 1.238 0.381 0 CA-C-O 122.027 0.793 . . . . 22.81 112.084 171.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p -62.7 -21.49 65.8 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.914 -0.643 . . . . 21.19 112.415 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -62.38 -35.92 80.66 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.093 -0.643 . . . . 20.84 111.221 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.44 -40.88 98.35 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 119.74 -0.784 . . . . 19.3 111.489 175.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.0 t -67.56 -33.88 64.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 C-N-CA 120.423 -0.511 . . . . 24.27 110.186 -178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.441 ' OE1' ' OE2' ' D' ' 13' ' ' GLU . 31.0 mm-40 -65.45 -45.23 84.58 Favored 'General case' 0 C--O 1.198 -1.607 0 N-CA-C 108.254 -1.017 . . . . 61.35 108.254 176.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.58 94.04 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.513 -0.875 . . . . 17.0 111.567 179.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 mt -57.65 -42.23 83.06 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 119.915 -0.714 . . . . 17.01 111.076 178.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -58.65 -43.32 89.74 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 120.887 0.375 . . . . 34.01 111.173 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -70.11 -40.73 74.73 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.258 -0.577 . . . . 27.28 110.878 -176.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.11 -40.89 86.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 120.862 0.363 . . . . 19.67 111.274 -177.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.1 m -94.47 -29.5 14.91 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.528 0.936 . . . . 24.33 113.528 -169.813 -58.736 -61.16 -77.588 104.183 2.022 103.959 -50.676 -51.512 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.42 -136.04 51.37 Favored Glycine 0 C--O 1.238 0.404 0 C-N-CA 120.324 -0.941 . . . . 28.45 111.905 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . . . -64.78 -15.67 61.97 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.291 0.478 . . . . 35.36 112.291 -175.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.541 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 26.8 mtp180 -68.1 -23.74 64.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.282 -0.967 . . . . 51.18 111.461 178.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 -177.53 34.53 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-O 122.57 1.095 . . . . 24.63 111.531 -173.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -161.87 167.86 24.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 119.735 -0.786 . . . . 19.1 109.645 -174.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.447 ' HD1' HD21 ' A' ' 21' ' ' ASN . 10.1 m-85 -110.31 133.62 53.07 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.901 -1.045 . . . . 40.71 108.527 169.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -106.38 113.29 26.71 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.718 -1.586 . . . . 23.8 106.718 173.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.1 m -133.3 82.4 53.14 Favored Pre-proline 0 C--O 1.238 0.478 0 CA-C-O 120.867 0.365 . . . . 34.54 110.405 -170.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.449 ' HB3' HG11 ' A' ' 3' ' ' VAL . 28.9 Cg_endo -74.98 163.88 34.48 Favored 'Trans proline' 0 C--N 1.327 -0.588 0 CA-C-O 121.951 0.73 . . . . 28.57 111.627 175.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . -81.69 148.14 29.14 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.874 -1.057 . . . . 38.77 110.261 173.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.388 0 N-CA-C 112.684 0.624 . . . . 51.7 112.684 -177.876 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLY . . . . . 0.429 ' O ' ' HG2' ' C' ' 5' ' ' GLN . . . . . . . . 0 CA--C 1.521 0.437 0 N-CA-C 111.37 -0.692 . . . . 34.7 111.37 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.486 HG12 HD21 ' D' ' 11' ' ' LEU . 16.2 tt -62.0 -35.7 69.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 119.974 -0.691 . . . . 26.63 111.586 -178.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 84.9 t -67.59 -37.92 79.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 119.75 -0.78 . . . . 32.47 110.209 -178.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -72.58 -38.89 67.77 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.452 -0.899 . . . . 42.62 111.154 179.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' C' ' 1' ' ' GLY . 95.6 mm-40 -73.48 -38.97 65.24 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.299 -0.56 . . . . 52.99 111.683 -176.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 93.8 m -110.76 -26.78 9.19 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 114.599 1.333 . . . . 27.44 114.599 -165.506 -69.967 -75.175 110.415 102.068 2.046 102.134 -150.357 68.709 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 36.6 t -103.25 -55.26 2.44 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 118.708 0.685 . . . . 35.22 111.338 -179.284 174.333 62.648 100.511 106.492 1.98 105.439 -85.174 -58.014 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 22.5 m -63.27 -56.48 16.18 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.327 -0.549 . . . . 36.28 110.568 174.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 12.5 t -89.22 -161.6 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.732 -0.84 . . . . 30.82 108.732 169.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 16.1 pt -121.53 148.01 25.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 109.008 -0.738 . . . . 32.64 109.008 175.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 p -136.74 159.72 41.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 29.17 109.697 177.584 68.709 -150.357 110.415 102.134 2.046 102.068 -75.175 -69.967 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 79.5 p -88.12 163.3 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.073 -0.967 . . . . 29.53 110.197 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.17 -31.08 70.82 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.714 -0.794 . . . . 36.46 110.815 174.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -62.67 -45.47 92.63 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.832 -0.347 . . . . 44.38 111.529 173.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . . . -59.46 -37.24 77.67 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 119.626 -0.83 . . . . 33.26 110.863 173.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.88 -27.69 68.33 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.08 -0.648 . . . . 28.3 112.374 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' C' ' 101' ' ' HOH . 36.7 mt-10 -66.17 -14.89 62.59 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 119.71 -0.796 . . . . 43.26 112.438 177.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.43 -21.67 60.35 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.61 -0.836 . . . . 28.73 112.115 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -103.58 8.11 37.63 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 123.384 0.674 . . . . 25.1 112.437 -173.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 68.7 m -73.66 155.7 38.74 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.651 -0.82 . . . . 28.02 110.067 169.957 -58.219 -38.723 -87.526 105.91 1.997 103.275 -58.566 -61.189 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 121.958 0.885 . . . . 37.56 111.388 167.289 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 C--O 1.223 -0.309 0 CA-C-O 121.233 0.54 . . . . 31.71 111.621 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -122.48 112.58 18.22 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.711 -1.218 . . . . 24.95 107.711 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -130.56 148.86 52.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.081 0.467 . . . . 31.14 110.816 -174.585 -58.014 -85.174 100.511 105.439 1.98 106.492 62.648 174.333 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.61 -136.75 44.49 Favored Glycine 0 C--O 1.239 0.457 0 C-N-CA 119.796 -1.192 . . . . 24.74 112.519 169.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' SER . . . . . 0.493 ' HA ' HG22 ' D' ' 12' ' ' VAL . 78.0 p -62.68 -24.92 67.88 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 119.322 -0.951 . . . . 31.46 111.209 -178.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -69.43 -38.13 77.73 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.076 -0.65 . . . . 25.49 111.04 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.486 HD21 HG12 ' C' ' 2' ' ' ILE . 24.5 tp -63.56 -43.49 96.89 Favored 'General case' 0 C--O 1.241 0.65 0 O-C-N 122.152 -0.342 . . . . 21.11 111.673 174.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' D' ' 9' ' ' SER . 34.3 m -73.06 -30.92 33.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 C-N-CA 117.952 -1.499 . . . . 24.46 111.488 -179.575 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.441 ' OE2' ' OE1' ' B' ' 13' ' ' GLU . 32.2 mm-40 -58.75 -40.76 84.79 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 121.37 -0.831 . . . . 50.24 111.33 171.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.32 75.45 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 121.936 -0.477 . . . . 15.93 111.948 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -60.06 -47.19 86.89 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.934 -0.706 . . . . 22.82 110.478 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -53.35 -44.79 68.78 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 120.265 -0.574 . . . . 25.72 110.504 175.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -63.21 -45.35 92.1 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.891 -0.724 . . . . 31.04 111.857 -177.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.11 -30.4 11.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 118.358 -1.337 . . . . 29.28 111.312 -173.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 75.9 m -96.45 -37.68 10.34 Favored 'General case' 0 C--O 1.241 0.657 0 N-CA-C 113.321 0.86 . . . . 23.3 113.321 -172.681 -61.189 -58.566 -87.526 103.275 1.997 105.91 -38.723 -58.219 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.84 -127.73 35.53 Favored Glycine 0 C--O 1.239 0.429 0 C-N-CA 120.768 -0.729 . . . . 26.04 112.744 175.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . . . -66.04 -17.72 64.88 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 112.744 0.646 . . . . 30.11 112.744 -175.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -64.07 -25.94 68.33 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 119.278 -0.969 . . . . 31.39 110.641 176.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.17 174.56 40.93 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 110.103 -1.199 . . . . 17.47 110.103 -173.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -163.0 171.22 16.85 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.725 -0.843 . . . . 21.57 108.725 -176.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -125.68 137.21 53.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.812 -1.085 . . . . 21.58 108.725 174.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -113.23 108.04 16.73 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.448 -1.686 . . . . 32.21 106.448 174.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 23.9 p -129.28 78.7 75.5 Favored Pre-proline 0 C--O 1.236 0.368 0 N-CA-C 108.024 -1.102 . . . . 28.29 108.024 -174.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -64.65 -23.95 63.07 Favored 'Trans proline' 0 C--O 1.239 0.574 0 N-CA-C 114.426 0.895 . . . . 39.03 114.426 -174.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . . . -75.48 -14.61 60.44 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.118 -1.033 . . . . 34.98 111.416 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 32.1 m . . . . . 0 C--O 1.239 0.507 0 C-N-CA 126.476 1.91 . . . . 47.34 110.425 179.865 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ' GD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' ' CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . 0.439 ' O ' ' OE1' ' C' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_