data_6ves_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 6ves _Structure_validation_residue.Date_analyzed 2020-11-14 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 1.49 2.261 0 N-CA-C 111.986 -0.446 . . . . 67.099999999999994 111.986 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -60.32 -41.3 86.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 120.566 -0.454 . . . . 48.0 110.828 -174.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.4 -46.53 96.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.405 0.621 . . . . 37.299999999999997 110.101 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -65.62 -34.75 78.94 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.808 -0.757 . . . . 70.079999999999998 111.222 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -82.8 -33.1 27.35 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.611 0.597 . . . . 74.930000000000007 112.611 -175.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.6 m -116.53 -24.83 7.66 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 114.42 1.267 . . . . 34.030000000000001 114.42 -169.622 -66.177 -74.941 105.04 102.437 2.027 103.331 -154.626 79.589 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 t -98.0 -58.26 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 118.336 0.516 . . . . 31.539999999999999 111.136 176.697 172.081 57.883 100.123 104.332 2.03 104.026 -89.378 -51.762 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.8 -43.8 97.66 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.663 -0.415 . . . . 45.170000000000002 110.802 176.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -115.65 -176.22 2.88 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 124.453 1.101 . . . . 58.479999999999997 108.409 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 mm -102.92 131.63 50.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.898 -0.778 . . . . 38.590000000000003 108.898 -178.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 p -129.51 160.19 33.98 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.865 -0.791 . . . . 34.140000000000001 108.865 174.466 79.589 -154.626 105.04 103.331 2.027 102.437 -74.941 -66.177 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.9 p -85.97 155.37 20.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.186 -0.915 . . . . 29.780000000000001 109.321 173.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.7 -29.75 64.95 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.479 -0.888 . . . . 31.390000000000001 111.223 175.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -60.46 -31.57 70.57 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.249 -0.58 . . . . 30.66 111.166 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -76.1 -4.82 43.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.997 0.74 . . . . 33.490000000000002 112.997 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.3 mt -85.07 -21.42 29.36 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.686 0.676 . . . . 39.609999999999999 112.627 175.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -61.74 -24.12 66.61 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 118.065 0.393 . . . . 60.200000000000003 111.633 -177.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -65.73 -14.88 62.18 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.462 0.542 . . . . 60.869999999999997 112.462 -177.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -107.46 12.04 28.28 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.319 0.488 . . . . 71.5 112.319 -177.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.4 m -78.04 102.15 7.29 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.34 -1.355 . . . . 49.420000000000002 107.34 172.256 -58.689 -57.534 -83.14 105.047 2.033 104.69 -59.842 -55.429 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.143 0.497 . . . . 150.47999999999999 111.164 179.897 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 p90 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.595 0.236 . . . . 98.430000000000007 110.964 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.1 120.3 10.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.935 -0.765 . . . . 51.380000000000003 108.935 -179.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.9 t30 55.88 43.55 27.32 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.132 0.491 . . . . 38.159999999999997 111.205 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -122.91 149.84 43.71 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.173 0.511 . . . . 92.739999999999995 110.271 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -69.82 139.47 53.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.699 -0.682 . . . . 33.549999999999997 109.419 172.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -120.86 105.28 10.55 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.58 -0.896 . . . . 29.059999999999999 108.58 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 36.7 m -133.03 150.81 52.11 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.128 0.489 . . . . 34.509999999999998 110.282 -177.595 -51.762 -89.378 100.123 104.026 2.03 104.332 57.883 172.081 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.77 -134.53 51.17 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 115.494 -0.776 . . . . 28.550000000000001 111.991 171.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -57.54 -36.11 71.18 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.855 -0.338 . . . . 43.259999999999998 111.434 -176.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -68.86 -34.25 75.14 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.809 -0.757 . . . . 58.609999999999999 111.594 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.18 -40.67 86.6 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.706 -0.798 . . . . 29.550000000000001 110.875 173.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.92 -45.31 91.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.254 0.55 . . . . 27.239999999999998 110.217 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -59.32 -42.88 92.47 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.478 -0.489 . . . . 61.670000000000002 110.954 -178.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.5 -37.38 82.75 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.59 -0.444 . . . . 29.690000000000001 111.209 -179.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.68 -46.61 75.1 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.989 -0.285 . . . . 52.950000000000003 111.239 -178.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -57.57 -38.9 75.59 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.124 -0.631 . . . . 38.520000000000003 110.678 174.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.44 -47.97 83.77 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.924 0.392 . . . . 48.090000000000003 110.872 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -75.06 -35.42 34.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 116.685 -0.234 . . . . 36.869999999999997 111.452 -173.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.8 m -92.31 -7.45 47.9 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.678 0.992 . . . . 39.270000000000003 113.678 -174.156 -55.429 -59.842 -83.14 104.69 2.033 105.047 -57.534 -58.689 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.43 147.55 50.75 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.282 -0.961 . . . . 40.420000000000002 111.838 177.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -154.24 159.28 41.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.337 0.589 . . . . 67.810000000000002 109.455 -177.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 . . . . . 0 C--O 1.234 0.255 0 CA-C-N 115.289 -0.869 . . . . 88.620000000000005 110.604 174.709 . . . . . . . . 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 ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 111.986 -0.446 . . . . 55.9 111.986 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -60.32 -41.3 86.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 120.566 -0.454 . . . . 39.98 110.828 -174.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.4 -46.53 96.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.405 0.621 . . . . 31.07 110.101 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -65.62 -34.75 78.94 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.808 -0.757 . . . . 58.38 111.222 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -82.8 -33.1 27.35 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.611 0.597 . . . . 62.43 112.611 -175.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.6 m -116.53 -24.83 7.66 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 114.42 1.267 . . . . 34.03 114.42 -169.622 -66.177 -74.941 105.04 102.437 2.027 103.331 -154.626 79.589 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 t -98.0 -58.26 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 118.336 0.516 . . . . 28.2 111.136 176.697 172.081 57.883 100.123 104.332 2.03 104.026 -89.378 -51.762 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.8 -43.8 97.66 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.663 -0.415 . . . . 37.62 110.802 176.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -115.65 -176.22 2.88 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 124.453 1.101 . . . . 48.72 108.409 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 mm -102.92 131.63 50.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.898 -0.778 . . . . 32.15 108.898 -178.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 p -129.51 160.19 33.98 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.865 -0.791 . . . . 32.18 108.865 174.466 79.589 -154.626 105.04 103.331 2.027 102.437 -74.941 -66.177 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.9 p -85.97 155.37 20.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.186 -0.915 . . . . 24.9 109.321 173.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.7 -29.75 64.95 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.479 -0.888 . . . . 26.68 111.223 175.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -60.46 -31.57 70.57 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.249 -0.58 . . . . 25.53 111.166 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -76.1 -4.82 43.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.997 0.74 . . . . 29.95 112.997 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.3 mt -85.07 -21.42 29.36 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.686 0.676 . . . . 34.91 112.627 175.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -61.74 -24.12 66.61 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 118.065 0.393 . . . . 60.2 111.633 -177.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -65.73 -14.88 62.18 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.462 0.542 . . . . 50.71 112.462 -177.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -107.46 12.04 28.28 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.319 0.488 . . . . 59.57 112.319 -177.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.4 m -78.04 102.15 7.29 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.34 -1.355 . . . . 49.42 107.34 172.256 -58.689 -57.534 -83.14 105.047 2.033 104.69 -59.842 -55.429 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.143 0.497 . . . . 125.38 111.164 179.897 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 p90 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.595 0.236 . . . . 82.01 110.964 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.1 120.3 10.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.935 -0.765 . . . . 42.8 108.935 -179.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.9 t30 55.88 43.55 27.32 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.132 0.491 . . . . 31.78 111.205 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -122.91 149.84 43.71 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.173 0.511 . . . . 77.26 110.271 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -69.82 139.47 53.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.699 -0.682 . . . . 27.94 109.419 172.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -120.86 105.28 10.55 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.58 -0.896 . . . . 24.2 108.58 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 36.7 m -133.03 150.81 52.11 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.128 0.489 . . . . 30.79 110.282 -177.595 -51.762 -89.378 100.123 104.026 2.03 104.332 57.883 172.081 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.77 -134.53 51.17 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 115.494 -0.776 . . . . 26.64 111.991 171.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -57.54 -36.11 71.18 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.855 -0.338 . . . . 36.03 111.434 -176.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -68.86 -34.25 75.14 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.809 -0.757 . . . . 58.61 111.594 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.18 -40.67 86.6 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.706 -0.798 . . . . 24.75 110.875 173.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.92 -45.31 91.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.254 0.55 . . . . 22.78 110.217 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -59.32 -42.88 92.47 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.478 -0.489 . . . . 58.76 110.954 -178.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.5 -37.38 82.75 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.59 -0.444 . . . . 24.73 111.209 -179.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.68 -46.61 75.1 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.989 -0.285 . . . . 44.11 111.239 -178.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -57.57 -38.9 75.59 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.124 -0.631 . . . . 32.09 110.678 174.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.44 -47.97 83.77 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.924 0.392 . . . . 40.06 110.872 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -75.06 -35.42 34.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 116.685 -0.234 . . . . 30.71 111.452 -173.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.8 m -92.31 -7.45 47.9 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.678 0.992 . . . . 33.15 113.678 -174.156 -55.429 -59.842 -83.14 104.69 2.033 105.047 -57.534 -58.689 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.43 147.55 50.75 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.282 -0.961 . . . . 33.67 111.838 177.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -154.24 159.28 41.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.337 0.589 . . . . 65.04 109.455 -177.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 . . . . . 0 C--O 1.234 0.255 0 CA-C-N 115.289 -0.869 . . . . 88.62 110.604 174.709 . . . . . . . . 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 ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 111.986 -0.446 . . . . 55.899999999999999 111.986 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -60.32 -41.3 86.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 120.566 -0.454 . . . . 39.979999999999997 110.828 -174.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.4 -46.53 96.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.405 0.621 . . . . 31.07 110.101 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -65.62 -34.75 78.94 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.808 -0.757 . . . . 58.380000000000003 111.222 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -82.8 -33.1 27.35 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.611 0.597 . . . . 62.43 112.611 -175.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.6 m -116.53 -24.83 7.66 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 114.42 1.267 . . . . 34.030000000000001 114.42 -169.622 -66.177 -74.941 105.04 102.437 2.027 103.331 -154.626 79.589 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 t -98.0 -58.26 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 118.336 0.516 . . . . 28.199999999999999 111.136 176.697 172.081 57.883 100.123 104.332 2.03 104.026 -89.378 -51.762 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.8 -43.8 97.66 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.663 -0.415 . . . . 37.619999999999997 110.802 176.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -115.65 -176.22 2.88 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 124.453 1.101 . . . . 48.719999999999999 108.409 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.6 mm -102.92 131.63 50.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.898 -0.778 . . . . 32.149999999999999 108.898 -178.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 p -129.51 160.19 33.98 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.865 -0.791 . . . . 32.18 108.865 174.466 79.589 -154.626 105.04 103.331 2.027 102.437 -74.941 -66.177 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.9 p -85.97 155.37 20.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.186 -0.915 . . . . 24.899999999999999 109.321 173.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.7 -29.75 64.95 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.479 -0.888 . . . . 26.68 111.223 175.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -60.46 -31.57 70.57 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.249 -0.58 . . . . 25.530000000000001 111.166 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -76.1 -4.82 43.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.997 0.74 . . . . 29.949999999999999 112.997 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.3 mt -85.07 -21.42 29.36 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.686 0.676 . . . . 34.909999999999997 112.627 175.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -61.74 -24.12 66.61 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 118.065 0.393 . . . . 60.200000000000003 111.633 -177.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -65.73 -14.88 62.18 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.462 0.542 . . . . 50.710000000000001 112.462 -177.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -107.46 12.04 28.28 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.319 0.488 . . . . 59.57 112.319 -177.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.4 m -78.04 102.15 7.29 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.34 -1.355 . . . . 49.420000000000002 107.34 172.256 -58.689 -57.534 -83.14 105.047 2.033 104.69 -59.842 -55.429 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.143 0.497 . . . . 125.38 111.164 179.897 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 p90 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.595 0.236 . . . . 82.010000000000005 110.964 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.1 120.3 10.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.935 -0.765 . . . . 42.799999999999997 108.935 -179.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.9 t30 55.88 43.55 27.32 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.132 0.491 . . . . 31.780000000000001 111.205 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -122.91 149.84 43.71 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.173 0.511 . . . . 77.260000000000005 110.271 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -69.82 139.47 53.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.699 -0.682 . . . . 27.940000000000001 109.419 172.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -120.86 105.28 10.55 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.58 -0.896 . . . . 24.199999999999999 108.58 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 36.7 m -133.03 150.81 52.11 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.128 0.489 . . . . 30.789999999999999 110.282 -177.595 -51.762 -89.378 100.123 104.026 2.03 104.332 57.883 172.081 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.77 -134.53 51.17 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 115.494 -0.776 . . . . 26.640000000000001 111.991 171.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -57.54 -36.11 71.18 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.855 -0.338 . . . . 36.030000000000001 111.434 -176.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -68.86 -34.25 75.14 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 119.809 -0.757 . . . . 58.609999999999999 111.594 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.18 -40.67 86.6 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.706 -0.798 . . . . 24.75 110.875 173.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.92 -45.31 91.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.254 0.55 . . . . 22.780000000000001 110.217 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -59.32 -42.88 92.47 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.478 -0.489 . . . . 58.759999999999998 110.954 -178.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.5 -37.38 82.75 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.59 -0.444 . . . . 24.73 111.209 -179.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.68 -46.61 75.1 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.989 -0.285 . . . . 44.109999999999999 111.239 -178.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -57.57 -38.9 75.59 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.124 -0.631 . . . . 32.090000000000003 110.678 174.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -60.44 -47.97 83.77 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.924 0.392 . . . . 40.060000000000002 110.872 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -75.06 -35.42 34.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 116.685 -0.234 . . . . 30.710000000000001 111.452 -173.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.8 m -92.31 -7.45 47.9 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.678 0.992 . . . . 33.149999999999999 113.678 -174.156 -55.429 -59.842 -83.14 104.69 2.033 105.047 -57.534 -58.689 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.43 147.55 50.75 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.282 -0.961 . . . . 33.670000000000002 111.838 177.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -154.24 159.28 41.24 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.337 0.589 . . . . 65.040000000000006 109.455 -177.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 . . . . . 0 C--O 1.234 0.255 0 CA-C-N 115.289 -0.869 . . . . 88.620000000000005 110.604 174.709 . . . . . . . . 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 ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_