data_1cfw_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1cfw _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 0 N-CA-C 109.837 -0.431 . . . . 61.64 109.837 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -84.49 137.85 33.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 124.776 2.227 . . . . 98.01 113.82 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -56.07 132.68 50.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 112.391 -2.186 . . . . 112.22 109.494 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.18 -22.87 34.32 Favored Glycine 0 N--CA 1.45 -0.403 0 O-C-N 121.606 -0.683 . . . . 28.66 112.839 -173.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.52 151.76 32.08 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 123.267 1.508 . . . . 32.36 111.656 178.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.6 t -119.62 132.92 68.05 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 N-CA-C 107.287 -1.375 . . . . 20.62 107.287 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -120.87 143.04 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.943 0.777 . . . . 53.3 111.291 -177.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -126.07 141.08 52.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.29 0.567 . . . . 51.04 112.441 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.06 116.87 26.55 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 114.956 -1.02 . . . . 18.45 109.476 167.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.98 -24.54 66.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.334 1.021 . . . . 26.87 111.636 -179.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.0 mt -90.39 -41.43 11.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 116.663 -1.637 . . . . 25.13 112.766 -175.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.76 -8.05 15.44 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 121.407 1.912 . . . . 18.07 113.104 -176.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.86 85.79 Favored Glycine 0 N--CA 1.463 0.469 0 O-C-N 124.61 1.194 . . . . 14.54 114.254 176.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.75 134.95 57.05 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 121.496 -1.002 . . . . 28.03 111.552 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.6 t -124.12 130.17 73.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 125.17 1.388 . . . . 18.67 110.976 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.9 m -131.89 154.27 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.101 -1.074 . . . . 15.14 108.101 -179.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -114.14 138.12 50.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.345 -1.298 . . . . 71.33 107.639 173.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -81.15 118.16 28.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.617 -0.719 . . . . 22.87 110.365 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.4 mt -94.04 -27.61 16.2 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 123.479 1.609 . . . . 21.36 110.738 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -141.92 119.54 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.458 -1.247 . . . . 86.48 108.779 -179.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -68.92 139.28 55.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 124.63 2.157 . . . . 75.94 111.602 -176.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.15 159.42 26.63 Favored Glycine 0 C--O 1.242 0.605 0 N-CA-C 104.987 -3.245 . . . . 27.92 104.987 173.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.59 6.38 80.19 Favored Glycine 0 N--CA 1.472 1.096 1 C-N-CA 111.165 -5.302 . . . . 27.36 114.879 -177.265 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.1 159.74 53.83 Favored Glycine 0 CA--C 1.522 0.517 0 O-C-N 118.479 -2.777 . . . . 14.58 111.211 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.1 m -89.08 123.28 33.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.132 -1.034 . . . . 24.1 110.828 178.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.1 mt -76.56 130.63 38.15 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 125.173 1.546 . . . . 24.43 110.698 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.6 t -126.75 138.44 54.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 O-C-N 125.971 2.044 . . . . 24.49 110.857 -175.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.6 t -147.48 136.18 21.95 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 125.625 1.828 . . . . 17.42 109.44 175.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.8 m 62.3 36.48 14.58 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.862 -0.524 . . . . 29.27 110.723 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.75 24.2 52.68 Favored Glycine 0 N--CA 1.436 -1.355 0 O-C-N 125.334 1.646 . . . . 28.13 114.285 -173.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -137.88 152.6 49.2 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 122.312 3.056 . . . . 32.03 110.06 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -63.87 134.91 56.03 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 115.623 -2.431 . . . . 18.08 111.287 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 55.0 mtp -65.79 154.29 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 122.742 1.258 . . . . 16.36 111.782 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.3 t -106.48 126.27 62.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 123.958 1.837 . . . . 16.86 112.002 -176.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -66.54 135.69 54.55 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.01 -1.681 . . . . 119.25 110.673 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 . . . . . 0 C--O 1.246 0.914 0 O-C-N 120.507 -1.37 . . . . 49.66 110.226 -174.392 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 122.233 1.016 . . . . 61.4 112.53 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -105.26 149.42 26.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.276 -0.875 . . . . 104.97 112.211 -169.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -53.45 127.28 24.46 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 126.436 3.017 . . . . 79.49 112.629 -177.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.25 -17.17 59.77 Favored Glycine 0 C--N 1.342 0.885 0 C-N-CA 114.983 -3.484 . . . . 29.6 108.988 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -67.14 147.05 53.61 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 116.942 -1.903 . . . . 52.45 111.658 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 96.2 t -113.75 130.87 67.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 O-C-N 125.498 1.749 . . . . 21.2 109.664 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -125.84 141.64 51.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.376 1.047 . . . . 29.51 112.144 -178.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -126.08 140.49 52.55 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 119.868 -0.733 . . . . 56.04 111.807 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 51.6 t -89.71 117.5 28.62 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 105.972 -1.862 . . . . 16.4 105.972 171.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.69 -16.49 60.75 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 125.531 1.769 . . . . 85.33 111.773 -175.604 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.5 mt -82.31 -52.91 6.47 Favored 'General case' 0 CA--C 1.522 -0.123 0 O-C-N 126.243 2.214 . . . . 25.62 111.31 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 25.6 p -106.02 -5.4 19.55 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 120.994 1.724 . . . . 17.25 110.439 -172.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.81 2.68 89.69 Favored Glycine 0 CA--C 1.498 -1.011 0 O-C-N 124.463 1.102 . . . . 15.27 112.275 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.53 139.86 56.98 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 118.601 -2.705 . . . . 36.93 111.766 -175.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.89 127.39 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 122.541 1.162 . . . . 20.78 111.716 -178.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 24.0 m -124.58 153.14 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-O 118.097 -0.954 . . . . 18.99 109.974 -178.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -114.48 133.07 56.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 126.426 2.329 . . . . 46.06 110.145 172.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -74.9 119.83 23.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 O-C-N 124.678 1.236 . . . . 24.73 111.262 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.0 mt -98.71 -31.34 11.95 Favored 'General case' 0 C--N 1.342 0.269 0 O-C-N 124.897 1.373 . . . . 28.5 112.615 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -140.54 119.73 12.89 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 125.613 1.821 . . . . 78.37 109.369 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -62.18 156.15 22.58 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.225 -1.352 . . . . 83.24 110.728 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.52 162.54 33.46 Favored Glycine 0 C--N 1.315 -0.593 0 N-CA-C 105.909 -2.876 . . . . 31.38 105.909 172.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.63 -7.21 82.18 Favored Glycine 0 C--O 1.241 0.561 0 CA-C-N 120.51 2.155 . . . . 22.49 115.264 -174.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.42 163.87 54.62 Favored Glycine 0 N--CA 1.467 0.742 0 CA-C-N 120.574 2.187 . . . . 18.85 109.012 -175.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 86.0 m -92.75 129.84 38.55 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 120.03 -1.864 . . . . 21.47 109.496 172.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 86.5 mt -75.68 130.95 39.53 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.395 -0.821 . . . . 18.03 109.296 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 t -130.56 141.02 47.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 117.185 -1.388 . . . . 23.36 109.826 -177.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -142.65 146.25 34.27 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 125.953 2.033 . . . . 15.87 108.469 172.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 68.4 m 50.17 38.33 16.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 124.081 1.896 . . . . 18.17 110.761 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.78 -0.08 46.62 Favored Glycine 0 N--CA 1.448 -0.519 1 CA-C-O 113.036 -4.202 . . . . 32.91 112.439 174.774 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -120.19 157.09 29.81 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 123.092 3.446 . . . . 107.77 112.104 176.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -56.73 130.2 44.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 116.912 -1.518 . . . . 34.05 108.688 172.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 63.2 mtp -69.11 154.6 41.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 125.262 1.601 . . . . 18.41 110.378 175.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 58.6 t -106.99 125.19 63.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.509 1.147 . . . . 23.91 111.079 -172.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -72.39 137.55 46.61 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 118.623 -1.231 . . . . 116.75 108.572 -174.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 . . . . . 0 C--O 1.244 0.785 0 O-C-N 125.04 1.463 . . . . 21.91 112.803 -176.886 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ' GA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ' GA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' 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 ' 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 orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . 0.705 ' O ' ' HB2' ' A' ' 21' ' ' GLU . . . . . . . . 0 C--O 1.232 0.183 0 N-CA-C 109.837 -0.431 . . . . 61.64 109.837 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASN . . . . . 0.593 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 23.3 m120 -84.49 137.85 33.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 124.776 2.227 . . . . 98.01 113.82 -178.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -56.07 132.68 50.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 112.391 -2.186 . . . . 112.22 109.494 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.18 -22.87 34.32 Favored Glycine 0 N--CA 1.45 -0.403 0 O-C-N 121.606 -0.683 . . . . 28.66 112.839 -173.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . 0.593 ' OD2' ' HB2' ' A' ' 2' ' ' ASN . 99.7 m-20 -61.52 151.76 32.08 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 123.267 1.508 . . . . 32.36 111.656 178.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.6 t -119.62 132.92 68.05 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 N-CA-C 107.287 -1.375 . . . . 20.62 107.287 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -120.87 143.04 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.943 0.777 . . . . 53.3 111.291 -177.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -126.07 141.08 52.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.29 0.567 . . . . 51.04 112.441 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.06 116.87 26.55 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 114.956 -1.02 . . . . 18.45 109.476 167.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.98 -24.54 66.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.334 1.021 . . . . 26.87 111.636 -179.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.0 mt -90.39 -41.43 11.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 116.663 -1.637 . . . . 25.13 112.766 -175.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.76 -8.05 15.44 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 121.407 1.912 . . . . 18.07 113.104 -176.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.86 85.79 Favored Glycine 0 N--CA 1.463 0.469 0 O-C-N 124.61 1.194 . . . . 14.54 114.254 176.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.75 134.95 57.05 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 121.496 -1.002 . . . . 28.03 111.552 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.6 t -124.12 130.17 73.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 125.17 1.388 . . . . 18.67 110.976 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.9 m -131.89 154.27 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.101 -1.074 . . . . 15.14 108.101 -179.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -114.14 138.12 50.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.345 -1.298 . . . . 71.33 107.639 173.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -81.15 118.16 28.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.617 -0.719 . . . . 22.87 110.365 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.4 mt -94.04 -27.61 16.2 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 123.479 1.609 . . . . 21.36 110.738 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -141.92 119.54 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.458 -1.247 . . . . 86.48 108.779 -179.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.705 ' HB2' ' O ' ' A' ' 1' ' ' ALA . 2.8 pt-20 -68.92 139.28 55.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 124.63 2.157 . . . . 75.94 111.602 -176.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.15 159.42 26.63 Favored Glycine 0 C--O 1.242 0.605 0 N-CA-C 104.987 -3.245 . . . . 27.92 104.987 173.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.59 6.38 80.19 Favored Glycine 0 N--CA 1.472 1.096 1 C-N-CA 111.165 -5.302 . . . . 27.36 114.879 -177.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.1 159.74 53.83 Favored Glycine 0 CA--C 1.522 0.517 0 O-C-N 118.479 -2.777 . . . . 14.58 111.211 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.1 m -89.08 123.28 33.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.132 -1.034 . . . . 24.1 110.828 178.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.1 mt -76.56 130.63 38.15 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 125.173 1.546 . . . . 24.43 110.698 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.6 t -126.75 138.44 54.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 O-C-N 125.971 2.044 . . . . 24.49 110.857 -175.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.6 t -147.48 136.18 21.95 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 125.625 1.828 . . . . 17.42 109.44 175.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.8 m 62.3 36.48 14.58 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.862 -0.524 . . . . 29.27 110.723 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.75 24.2 52.68 Favored Glycine 0 N--CA 1.436 -1.355 0 O-C-N 125.334 1.646 . . . . 28.13 114.285 -173.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -137.88 152.6 49.2 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 122.312 3.056 . . . . 32.03 110.06 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -63.87 134.91 56.03 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 115.623 -2.431 . . . . 18.08 111.287 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 55.0 mtp -65.79 154.29 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 122.742 1.258 . . . . 16.36 111.782 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.3 t -106.48 126.27 62.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 123.958 1.837 . . . . 16.86 112.002 -176.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -66.54 135.69 54.55 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.01 -1.681 . . . . 119.25 110.673 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 . . . . . 0 C--O 1.246 0.914 0 O-C-N 120.507 -1.37 . . . . 49.66 110.226 -174.392 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 122.233 1.016 . . . . 61.4 112.53 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -105.26 149.42 26.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.276 -0.875 . . . . 104.97 112.211 -169.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . 0.639 ' HG3' ' O ' ' B' ' 148' ' ' HOH . 1.8 mt-10 -53.45 127.28 24.46 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 126.436 3.017 . . . . 79.49 112.629 -177.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.25 -17.17 59.77 Favored Glycine 0 C--N 1.342 0.885 0 C-N-CA 114.983 -3.484 . . . . 29.6 108.988 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -67.14 147.05 53.61 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 116.942 -1.903 . . . . 52.45 111.658 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 96.2 t -113.75 130.87 67.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 O-C-N 125.498 1.749 . . . . 21.2 109.664 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -125.84 141.64 51.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.376 1.047 . . . . 29.51 112.144 -178.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -126.08 140.49 52.55 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 119.868 -0.733 . . . . 56.04 111.807 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 51.6 t -89.71 117.5 28.62 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 105.972 -1.862 . . . . 16.4 105.972 171.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.69 -16.49 60.75 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 125.531 1.769 . . . . 85.33 111.773 -175.604 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.5 mt -82.31 -52.91 6.47 Favored 'General case' 0 CA--C 1.522 -0.123 0 O-C-N 126.243 2.214 . . . . 25.62 111.31 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 25.6 p -106.02 -5.4 19.55 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 120.994 1.724 . . . . 17.25 110.439 -172.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.81 2.68 89.69 Favored Glycine 0 CA--C 1.498 -1.011 0 O-C-N 124.463 1.102 . . . . 15.27 112.275 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.53 139.86 56.98 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 118.601 -2.705 . . . . 36.93 111.766 -175.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.89 127.39 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 122.541 1.162 . . . . 20.78 111.716 -178.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 24.0 m -124.58 153.14 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-O 118.097 -0.954 . . . . 18.99 109.974 -178.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -114.48 133.07 56.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 126.426 2.329 . . . . 46.06 110.145 172.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -74.9 119.83 23.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 O-C-N 124.678 1.236 . . . . 24.73 111.262 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.0 mt -98.71 -31.34 11.95 Favored 'General case' 0 C--N 1.342 0.269 0 O-C-N 124.897 1.373 . . . . 28.5 112.615 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -140.54 119.73 12.89 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 125.613 1.821 . . . . 78.37 109.369 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -62.18 156.15 22.58 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.225 -1.352 . . . . 83.24 110.728 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.52 162.54 33.46 Favored Glycine 0 C--N 1.315 -0.593 0 N-CA-C 105.909 -2.876 . . . . 31.38 105.909 172.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.63 -7.21 82.18 Favored Glycine 0 C--O 1.241 0.561 0 CA-C-N 120.51 2.155 . . . . 22.49 115.264 -174.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.42 163.87 54.62 Favored Glycine 0 N--CA 1.467 0.742 0 CA-C-N 120.574 2.187 . . . . 18.85 109.012 -175.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 86.0 m -92.75 129.84 38.55 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 120.03 -1.864 . . . . 21.47 109.496 172.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 86.5 mt -75.68 130.95 39.53 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.395 -0.821 . . . . 18.03 109.296 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 t -130.56 141.02 47.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 117.185 -1.388 . . . . 23.36 109.826 -177.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -142.65 146.25 34.27 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 125.953 2.033 . . . . 15.87 108.469 172.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 68.4 m 50.17 38.33 16.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 124.081 1.896 . . . . 18.17 110.761 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.78 -0.08 46.62 Favored Glycine 0 N--CA 1.448 -0.519 1 CA-C-O 113.036 -4.202 . . . . 32.91 112.439 174.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -120.19 157.09 29.81 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 123.092 3.446 . . . . 107.77 112.104 176.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -56.73 130.2 44.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 116.912 -1.518 . . . . 34.05 108.688 172.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 63.2 mtp -69.11 154.6 41.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 125.262 1.601 . . . . 18.41 110.378 175.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 58.6 t -106.99 125.19 63.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.509 1.147 . . . . 23.91 111.079 -172.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -72.39 137.55 46.61 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 118.623 -1.231 . . . . 116.75 108.572 -174.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 . . . . . 0 C--O 1.244 0.785 0 O-C-N 125.04 1.463 . . . . 21.91 112.803 -176.886 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ' GA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ' GA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' 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 ' 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 build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 148' ' ' HOH . . . . . 0.639 ' O ' ' HG3' ' B' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.705 ' O ' ' HB2' ' A' ' 21' ' ' GLU . . . . . . . . 0 C--O 1.232 0.183 0 N-CA-C 109.837 -0.431 . . . . 61.64 109.837 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.593 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 23.3 m120 -84.49 137.85 33.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 124.776 2.227 . . . . 98.01 113.82 -178.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -56.07 132.68 50.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 112.391 -2.186 . . . . 112.22 109.494 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.18 -22.87 34.32 Favored Glycine 0 N--CA 1.45 -0.403 0 O-C-N 121.606 -0.683 . . . . 28.66 112.839 -173.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.593 ' OD2' ' HB2' ' A' ' 2' ' ' ASN . 99.7 m-20 -61.52 151.76 32.08 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 123.267 1.508 . . . . 32.36 111.656 178.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.6 t -119.62 132.92 68.05 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 N-CA-C 107.287 -1.375 . . . . 20.62 107.287 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -120.87 143.04 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.943 0.777 . . . . 53.3 111.291 -177.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -126.07 141.08 52.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.29 0.567 . . . . 51.04 112.441 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.06 116.87 26.55 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 114.956 -1.02 . . . . 18.45 109.476 167.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.98 -24.54 66.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.334 1.021 . . . . 26.87 111.636 -179.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.0 mt -90.39 -41.43 11.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 116.663 -1.637 . . . . 25.13 112.766 -175.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.76 -8.05 15.44 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 121.407 1.912 . . . . 18.07 113.104 -176.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.86 85.79 Favored Glycine 0 N--CA 1.463 0.469 0 O-C-N 124.61 1.194 . . . . 14.54 114.254 176.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.75 134.95 57.05 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 121.496 -1.002 . . . . 28.03 111.552 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.6 t -124.12 130.17 73.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 C-N-CA 125.17 1.388 . . . . 18.67 110.976 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.9 m -131.89 154.27 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.101 -1.074 . . . . 15.14 108.101 -179.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -114.14 138.12 50.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.345 -1.298 . . . . 71.33 107.639 173.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -81.15 118.16 28.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.617 -0.719 . . . . 22.87 110.365 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.4 mt -94.04 -27.61 16.2 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 123.479 1.609 . . . . 21.36 110.738 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -141.92 119.54 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.458 -1.247 . . . . 86.48 108.779 -179.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.705 ' HB2' ' O ' ' A' ' 1' ' ' ALA . 2.8 pt-20 -68.92 139.28 55.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 124.63 2.157 . . . . 75.94 111.602 -176.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.15 159.42 26.63 Favored Glycine 0 C--O 1.242 0.605 0 N-CA-C 104.987 -3.245 . . . . 27.92 104.987 173.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.59 6.38 80.19 Favored Glycine 0 N--CA 1.472 1.096 1 C-N-CA 111.165 -5.302 . . . . 27.36 114.879 -177.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.1 159.74 53.83 Favored Glycine 0 CA--C 1.522 0.517 0 O-C-N 118.479 -2.777 . . . . 14.58 111.211 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.1 m -89.08 123.28 33.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.132 -1.034 . . . . 24.1 110.828 178.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.1 mt -76.56 130.63 38.15 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 125.173 1.546 . . . . 24.43 110.698 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.6 t -126.75 138.44 54.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 O-C-N 125.971 2.044 . . . . 24.49 110.857 -175.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.6 t -147.48 136.18 21.95 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 125.625 1.828 . . . . 17.42 109.44 175.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.8 m 62.3 36.48 14.58 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.862 -0.524 . . . . 29.27 110.723 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.75 24.2 52.68 Favored Glycine 0 N--CA 1.436 -1.355 0 O-C-N 125.334 1.646 . . . . 28.13 114.285 -173.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -137.88 152.6 49.2 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 122.312 3.056 . . . . 32.03 110.06 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -63.87 134.91 56.03 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 115.623 -2.431 . . . . 18.08 111.287 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 55.0 mtp -65.79 154.29 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 122.742 1.258 . . . . 16.36 111.782 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.3 t -106.48 126.27 62.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 123.958 1.837 . . . . 16.86 112.002 -176.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -66.54 135.69 54.55 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.01 -1.681 . . . . 119.25 110.673 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 . . . . . 0 C--O 1.246 0.914 0 O-C-N 120.507 -1.37 . . . . 49.66 110.226 -174.392 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 122.233 1.016 . . . . 61.4 112.53 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -105.26 149.42 26.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.276 -0.875 . . . . 104.97 112.211 -169.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.639 ' HG3' ' O ' ' B' ' 148' ' ' HOH . 1.8 mt-10 -53.45 127.28 24.46 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 126.436 3.017 . . . . 79.49 112.629 -177.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.25 -17.17 59.77 Favored Glycine 0 C--N 1.342 0.885 0 C-N-CA 114.983 -3.484 . . . . 29.6 108.988 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -67.14 147.05 53.61 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 116.942 -1.903 . . . . 52.45 111.658 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 96.2 t -113.75 130.87 67.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 O-C-N 125.498 1.749 . . . . 21.2 109.664 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -125.84 141.64 51.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.376 1.047 . . . . 29.51 112.144 -178.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -126.08 140.49 52.55 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 119.868 -0.733 . . . . 56.04 111.807 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 51.6 t -89.71 117.5 28.62 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 105.972 -1.862 . . . . 16.4 105.972 171.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.69 -16.49 60.75 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 125.531 1.769 . . . . 85.33 111.773 -175.604 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.5 mt -82.31 -52.91 6.47 Favored 'General case' 0 CA--C 1.522 -0.123 0 O-C-N 126.243 2.214 . . . . 25.62 111.31 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 25.6 p -106.02 -5.4 19.55 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 120.994 1.724 . . . . 17.25 110.439 -172.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.81 2.68 89.69 Favored Glycine 0 CA--C 1.498 -1.011 0 O-C-N 124.463 1.102 . . . . 15.27 112.275 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.53 139.86 56.98 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 118.601 -2.705 . . . . 36.93 111.766 -175.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.89 127.39 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 122.541 1.162 . . . . 20.78 111.716 -178.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 24.0 m -124.58 153.14 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-O 118.097 -0.954 . . . . 18.99 109.974 -178.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -114.48 133.07 56.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 126.426 2.329 . . . . 46.06 110.145 172.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -74.9 119.83 23.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 O-C-N 124.678 1.236 . . . . 24.73 111.262 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.0 mt -98.71 -31.34 11.95 Favored 'General case' 0 C--N 1.342 0.269 0 O-C-N 124.897 1.373 . . . . 28.5 112.615 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -140.54 119.73 12.89 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 125.613 1.821 . . . . 78.37 109.369 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -62.18 156.15 22.58 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.225 -1.352 . . . . 83.24 110.728 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.52 162.54 33.46 Favored Glycine 0 C--N 1.315 -0.593 0 N-CA-C 105.909 -2.876 . . . . 31.38 105.909 172.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.63 -7.21 82.18 Favored Glycine 0 C--O 1.241 0.561 0 CA-C-N 120.51 2.155 . . . . 22.49 115.264 -174.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.42 163.87 54.62 Favored Glycine 0 N--CA 1.467 0.742 0 CA-C-N 120.574 2.187 . . . . 18.85 109.012 -175.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 86.0 m -92.75 129.84 38.55 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 120.03 -1.864 . . . . 21.47 109.496 172.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 86.5 mt -75.68 130.95 39.53 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.395 -0.821 . . . . 18.03 109.296 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 t -130.56 141.02 47.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 117.185 -1.388 . . . . 23.36 109.826 -177.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -142.65 146.25 34.27 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 125.953 2.033 . . . . 15.87 108.469 172.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 68.4 m 50.17 38.33 16.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 124.081 1.896 . . . . 18.17 110.761 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.78 -0.08 46.62 Favored Glycine 0 N--CA 1.448 -0.519 1 CA-C-O 113.036 -4.202 . . . . 32.91 112.439 174.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -120.19 157.09 29.81 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 123.092 3.446 . . . . 107.77 112.104 176.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -56.73 130.2 44.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 116.912 -1.518 . . . . 34.05 108.688 172.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 63.2 mtp -69.11 154.6 41.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 125.262 1.601 . . . . 18.41 110.378 175.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 58.6 t -106.99 125.19 63.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 122.509 1.147 . . . . 23.91 111.079 -172.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -72.39 137.55 46.61 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 118.623 -1.231 . . . . 116.75 108.572 -174.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 . . . . . 0 C--O 1.244 0.785 0 O-C-N 125.04 1.463 . . . . 21.91 112.803 -176.886 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ' GA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ' GA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' 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 ' 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 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' HOH . . . . . 0.639 ' O ' ' HG3' ' B' ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_