data_1ifn_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 1ifn _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.37 0 CA-C-O 118.707 -1.051 . . . . 10.0 113.896 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 t -39.12 -55.15 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.348 0 N-CA-C 117.744 2.498 . . . . 10.0 117.744 -166.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 mt -74.01 -37.33 47.02 Favored 'Isoleucine or valine' 0 C--O 1.253 1.248 0 CA-C-N 115.395 -0.82 . . . . 10.0 110.469 -166.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -30.73 69.79 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 110.058 -3.246 . . . . 10.0 106.653 -173.638 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.3 m -78.71 -16.58 57.08 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 108.688 -3.869 . . . . 10.0 111.757 175.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -70.09 -35.51 74.23 Favored 'General case' 0 C--O 1.252 1.203 0 C-N-CA 119.242 -0.983 . . . . 10.0 113.416 166.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.38 -28.49 62.04 Favored 'General case' 0 C--O 1.254 1.335 0 O-C-N 125.227 1.579 . . . . 10.0 110.93 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -59.17 -45.08 93.01 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 O-C-N 126.562 2.414 . . . . 10.0 108.952 175.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -52.52 -40.59 62.63 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 126.957 2.66 . . . . 10.0 113.189 172.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -69.19 -49.16 59.08 Favored 'General case' 0 C--O 1.256 1.446 0 N-CA-C 115.945 1.831 . . . . 10.0 115.945 -177.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.74 -33.91 66.7 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 124.677 1.235 . . . . 10.0 110.607 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.6 mt -65.89 -34.01 67.41 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 O-C-N 126.533 2.396 . . . . 10.0 108.798 176.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.6 m -58.83 -51.79 68.51 Favored 'General case' 0 C--O 1.259 1.554 0 O-C-N 125.634 1.834 . . . . 10.0 114.174 172.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -60.25 -44.58 95.15 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 125.29 1.619 . . . . 10.0 108.93 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.58 88.6 Favored Glycine 0 C--N 1.296 -1.654 0 O-C-N 126.895 2.622 . . . . 10.0 112.156 -177.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -63.42 -36.44 83.74 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 126.995 2.233 . . . . 10.0 111.832 175.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.8 -55.06 30.88 Favored Glycine 0 C--O 1.261 1.785 0 O-C-N 125.284 1.615 . . . . 10.0 112.674 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -58.18 -50.33 73.91 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 125.79 1.524 . . . . 10.0 110.373 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.6 mtm -54.12 -45.32 71.87 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 112.527 -2.124 . . . . 10.0 110.305 -173.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -74.22 -24.81 59.38 Favored 'General case' 0 C--O 1.254 1.295 0 O-C-N 125.723 1.89 . . . . 10.0 111.565 -175.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.03 -53.35 15.03 Favored 'General case' 0 C--O 1.257 1.455 0 CA-C-N 112.939 -1.937 . . . . 10.0 112.72 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.81 -44.38 89.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.403 0 O-C-N 125.036 1.46 . . . . 10.0 110.167 -175.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.92 -34.38 57.52 Favored Glycine 0 C--O 1.257 1.534 0 O-C-N 127.386 2.929 . . . . 10.0 108.489 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.29 -59.85 9.78 Favored Glycine 0 C--O 1.258 1.654 0 CA-C-N 111.651 -2.274 . . . . 10.0 114.28 167.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -30.53 70.4 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 114.201 1.186 . . . . 10.0 114.201 -173.132 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.38 -38.85 80.9 Favored 'Isoleucine or valine' 0 C--O 1.256 1.429 0 O-C-N 125.206 1.567 . . . . 10.0 109.159 173.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.39 -35.82 65.17 Favored 'Isoleucine or valine' 0 C--O 1.25 1.097 0 O-C-N 127.246 2.841 . . . . 10.0 111.412 175.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.97 -49.77 41.13 Favored Glycine 0 C--O 1.26 1.733 0 O-C-N 125.102 1.502 . . . . 10.0 113.715 171.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.17 79.92 Favored 'General case' 0 C--O 1.252 1.19 0 O-C-N 125.22 1.188 . . . . 10.0 109.772 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.94 -33.98 69.4 Favored 'General case' 0 C--O 1.252 1.187 0 O-C-N 126.425 2.328 . . . . 10.0 110.443 -177.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.7 t -70.88 -47.17 64.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.284 0 O-C-N 126.85 2.594 . . . . 10.0 109.244 -179.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -35.75 53.78 Favored 'Isoleucine or valine' 0 C--O 1.257 1.465 0 O-C-N 125.623 1.827 . . . . 10.0 113.072 175.539 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.1 mt -66.85 -63.02 1.15 Allowed 'General case' 0 C--O 1.252 1.213 0 O-C-N 125.847 1.967 . . . . 10.0 109.504 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.22 -51.53 4.68 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 128.521 3.638 . . . . 10.0 110.155 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.9 t -67.18 -37.09 78.53 Favored 'Isoleucine or valine' 0 C--O 1.257 1.487 0 O-C-N 126.665 2.478 . . . . 10.0 113.846 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.88 -27.33 65.7 Favored 'General case' 0 C--O 1.255 1.355 0 C-N-CA 118.688 -1.205 . . . . 10.0 111.101 175.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.18 -24.06 69.71 Favored Glycine 0 C--O 1.257 1.566 0 C-N-CA 120.045 -1.074 . . . . 10.0 111.259 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.24 -30.65 68.83 Favored 'General case' 0 C--O 1.26 1.626 0 O-C-N 125.338 1.258 . . . . 10.0 112.048 173.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.0 mt -77.56 -39.92 27.73 Favored 'Isoleucine or valine' 0 C--O 1.256 1.402 0 O-C-N 123.897 0.748 . . . . 10.0 111.684 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -58.86 -40.42 84.26 Favored 'General case' 0 C--O 1.259 1.58 0 O-C-N 125.868 1.98 . . . . 10.0 108.251 174.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.9 m -67.27 -23.63 65.7 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 124.391 1.057 . . . . 10.0 111.428 175.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 tpt -76.45 -33.13 58.74 Favored 'General case' 0 C--O 1.257 1.49 0 O-C-N 125.241 1.588 . . . . 10.0 112.501 -177.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.49 -49.78 30.65 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 125.399 1.687 . . . . 10.0 112.112 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.321 39.7 mtt180 -47.41 -44.92 24.96 Favored 'General case' 0 C--O 1.257 1.498 0 O-C-N 125.377 1.673 . . . . 10.0 110.626 176.738 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -72.52 -57.86 3.83 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 109.897 -3.319 . . . . 10.0 109.163 -172.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.382 0 O-C-N 126.343 2.277 . . . . 10.0 115.178 -175.443 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.37 0 CA-C-O 118.707 -1.051 . . . . 10.0 113.896 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 t -39.12 -55.15 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.348 0 N-CA-C 117.744 2.498 . . . . 10.0 117.744 -166.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 mt -74.01 -37.33 47.02 Favored 'Isoleucine or valine' 0 C--O 1.253 1.248 0 CA-C-N 115.395 -0.82 . . . . 10.0 110.469 -166.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -30.73 69.79 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 110.058 -3.246 . . . . 10.0 106.653 -173.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 52.3 m -78.71 -16.58 57.08 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 108.688 -3.869 . . . . 10.0 111.757 175.398 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . 0.536 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 19.6 m -70.09 -35.51 74.23 Favored 'General case' 0 C--O 1.252 1.203 0 C-N-CA 119.242 -0.983 . . . . 10.0 113.416 166.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.38 -28.49 62.04 Favored 'General case' 0 C--O 1.254 1.335 0 O-C-N 125.227 1.579 . . . . 10.0 110.93 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 5' ' ' THR . 43.0 t -59.17 -45.08 93.01 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 O-C-N 126.562 2.414 . . . . 10.0 108.952 175.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . 0.536 ' OE2' ' HA ' ' A' ' 6' ' ' SER . 31.9 mt-10 -52.52 -40.59 62.63 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 126.957 2.66 . . . . 10.0 113.189 172.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 13' ' ' THR . 3.3 m -69.19 -49.16 59.08 Favored 'General case' 0 C--O 1.256 1.446 0 N-CA-C 115.945 1.831 . . . . 10.0 115.945 -177.586 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.74 -33.91 66.7 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 124.677 1.235 . . . . 10.0 110.607 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . 0.475 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 12.6 mt -65.89 -34.01 67.41 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 O-C-N 126.533 2.396 . . . . 10.0 108.798 176.824 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 10' ' ' SER . 7.6 m -58.83 -51.79 68.51 Favored 'General case' 0 C--O 1.259 1.554 0 O-C-N 125.634 1.834 . . . . 10.0 114.174 172.589 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -60.25 -44.58 95.15 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 125.29 1.619 . . . . 10.0 108.93 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.58 88.6 Favored Glycine 0 C--N 1.296 -1.654 0 O-C-N 126.895 2.622 . . . . 10.0 112.156 -177.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 12' ' ' ILE . 42.2 mt-30 -63.42 -36.44 83.74 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 126.995 2.233 . . . . 10.0 111.832 175.32 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.8 -55.06 30.88 Favored Glycine 0 C--O 1.261 1.785 0 O-C-N 125.284 1.615 . . . . 10.0 112.674 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -58.18 -50.33 73.91 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 125.79 1.524 . . . . 10.0 110.373 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.6 mtm -54.12 -45.32 71.87 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 112.527 -2.124 . . . . 10.0 110.305 -173.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 1.7 ttpt -74.22 -24.81 59.38 Favored 'General case' 0 C--O 1.254 1.295 0 O-C-N 125.723 1.89 . . . . 10.0 111.565 -175.213 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.03 -53.35 15.03 Favored 'General case' 0 C--O 1.257 1.455 0 CA-C-N 112.939 -1.937 . . . . 10.0 112.72 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.81 -44.38 89.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.403 0 O-C-N 125.036 1.46 . . . . 10.0 110.167 -175.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' HA2' HD12 ' A' ' 26' ' ' ILE . . . -54.92 -34.38 57.52 Favored Glycine 0 C--O 1.257 1.534 0 O-C-N 127.386 2.929 . . . . 10.0 108.489 177.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . 0.436 ' O ' ' HB ' ' A' ' 27' ' ' VAL . . . -55.29 -59.85 9.78 Favored Glycine 0 C--O 1.258 1.654 0 CA-C-N 111.651 -2.274 . . . . 10.0 114.28 167.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -30.53 70.4 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 114.201 1.186 . . . . 10.0 114.201 -173.132 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . 0.564 HD12 ' HA2' ' A' ' 23' ' ' GLY . 80.1 mt -61.38 -38.85 80.9 Favored 'Isoleucine or valine' 0 C--O 1.256 1.429 0 O-C-N 125.206 1.567 . . . . 10.0 109.159 173.185 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 31' ' ' VAL . 40.7 t -60.39 -35.82 65.17 Favored 'Isoleucine or valine' 0 C--O 1.25 1.097 0 O-C-N 127.246 2.841 . . . . 10.0 111.412 175.89 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.97 -49.77 41.13 Favored Glycine 0 C--O 1.26 1.733 0 O-C-N 125.102 1.502 . . . . 10.0 113.715 171.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.17 79.92 Favored 'General case' 0 C--O 1.252 1.19 0 O-C-N 125.22 1.188 . . . . 10.0 109.772 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 27' ' ' VAL . 87.1 mt -57.94 -33.98 69.4 Favored 'General case' 0 C--O 1.252 1.187 0 O-C-N 126.425 2.328 . . . . 10.0 110.443 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 27' ' ' VAL . 8.7 t -70.88 -47.17 64.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.284 0 O-C-N 126.85 2.594 . . . . 10.0 109.244 -179.016 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -35.75 53.78 Favored 'Isoleucine or valine' 0 C--O 1.257 1.465 0 O-C-N 125.623 1.827 . . . . 10.0 113.072 175.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 33' ' ' LEU . 17.1 mt -66.85 -63.02 1.15 Allowed 'General case' 0 C--O 1.252 1.213 0 O-C-N 125.847 1.967 . . . . 10.0 109.504 177.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.22 -51.53 4.68 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 128.521 3.638 . . . . 10.0 110.155 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.9 t -67.18 -37.09 78.53 Favored 'Isoleucine or valine' 0 C--O 1.257 1.487 0 O-C-N 126.665 2.478 . . . . 10.0 113.846 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.88 -27.33 65.7 Favored 'General case' 0 C--O 1.255 1.355 0 C-N-CA 118.688 -1.205 . . . . 10.0 111.101 175.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.18 -24.06 69.71 Favored Glycine 0 C--O 1.257 1.566 0 C-N-CA 120.045 -1.074 . . . . 10.0 111.259 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.24 -30.65 68.83 Favored 'General case' 0 C--O 1.26 1.626 0 O-C-N 125.338 1.258 . . . . 10.0 112.048 173.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.0 mt -77.56 -39.92 27.73 Favored 'Isoleucine or valine' 0 C--O 1.256 1.402 0 O-C-N 123.897 0.748 . . . . 10.0 111.684 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -58.86 -40.42 84.26 Favored 'General case' 0 C--O 1.259 1.58 0 O-C-N 125.868 1.98 . . . . 10.0 108.251 174.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.9 m -67.27 -23.63 65.7 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 124.391 1.057 . . . . 10.0 111.428 175.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 tpt -76.45 -33.13 58.74 Favored 'General case' 0 C--O 1.257 1.49 0 O-C-N 125.241 1.588 . . . . 10.0 112.501 -177.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.49 -49.78 30.65 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 125.399 1.687 . . . . 10.0 112.112 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.321 39.7 mtt180 -47.41 -44.92 24.96 Favored 'General case' 0 C--O 1.257 1.498 0 O-C-N 125.377 1.673 . . . . 10.0 110.626 176.738 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -72.52 -57.86 3.83 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 109.897 -3.319 . . . . 10.0 109.163 -172.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.382 0 O-C-N 126.343 2.277 . . . . 10.0 115.178 -175.443 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.37 0 CA-C-O 118.707 -1.051 . . . . 10.0 113.896 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 t -39.12 -55.15 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.348 0 N-CA-C 117.744 2.498 . . . . 10.0 117.744 -166.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 mt -74.01 -37.33 47.02 Favored 'Isoleucine or valine' 0 C--O 1.253 1.248 0 CA-C-N 115.395 -0.82 . . . . 10.0 110.469 -166.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -30.73 69.79 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 110.058 -3.246 . . . . 10.0 106.653 -173.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 52.3 m -78.71 -16.58 57.08 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 108.688 -3.869 . . . . 10.0 111.757 175.398 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . 0.536 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 19.6 m -70.09 -35.51 74.23 Favored 'General case' 0 C--O 1.252 1.203 0 C-N-CA 119.242 -0.983 . . . . 10.0 113.416 166.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.38 -28.49 62.04 Favored 'General case' 0 C--O 1.254 1.335 0 O-C-N 125.227 1.579 . . . . 10.0 110.93 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 5' ' ' THR . 43.0 t -59.17 -45.08 93.01 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 O-C-N 126.562 2.414 . . . . 10.0 108.952 175.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.536 ' OE2' ' HA ' ' A' ' 6' ' ' SER . 31.9 mt-10 -52.52 -40.59 62.63 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 126.957 2.66 . . . . 10.0 113.189 172.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 13' ' ' THR . 3.3 m -69.19 -49.16 59.08 Favored 'General case' 0 C--O 1.256 1.446 0 N-CA-C 115.945 1.831 . . . . 10.0 115.945 -177.586 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.74 -33.91 66.7 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 124.677 1.235 . . . . 10.0 110.607 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.475 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 12.6 mt -65.89 -34.01 67.41 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 O-C-N 126.533 2.396 . . . . 10.0 108.798 176.824 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 10' ' ' SER . 7.6 m -58.83 -51.79 68.51 Favored 'General case' 0 C--O 1.259 1.554 0 O-C-N 125.634 1.834 . . . . 10.0 114.174 172.589 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -60.25 -44.58 95.15 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 125.29 1.619 . . . . 10.0 108.93 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.58 88.6 Favored Glycine 0 C--N 1.296 -1.654 0 O-C-N 126.895 2.622 . . . . 10.0 112.156 -177.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 12' ' ' ILE . 62.7 mt-30 -63.42 -36.44 83.74 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 126.995 2.233 . . . . 10.0 111.832 175.32 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.8 -55.06 30.88 Favored Glycine 0 C--O 1.261 1.785 0 O-C-N 125.284 1.615 . . . . 10.0 112.674 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -58.18 -50.33 73.91 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 125.79 1.524 . . . . 10.0 110.373 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.6 mtm -54.12 -45.32 71.87 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 112.527 -2.124 . . . . 10.0 110.305 -173.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 1.7 ttpt -74.22 -24.81 59.38 Favored 'General case' 0 C--O 1.254 1.295 0 O-C-N 125.723 1.89 . . . . 10.0 111.565 -175.213 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.03 -53.35 15.03 Favored 'General case' 0 C--O 1.257 1.455 0 CA-C-N 112.939 -1.937 . . . . 10.0 112.72 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.81 -44.38 89.17 Favored 'Isoleucine or valine' 0 C--O 1.256 1.403 0 O-C-N 125.036 1.46 . . . . 10.0 110.167 -175.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' HA2' HD12 ' A' ' 26' ' ' ILE . . . -54.92 -34.38 57.52 Favored Glycine 0 C--O 1.257 1.534 0 O-C-N 127.386 2.929 . . . . 10.0 108.489 177.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.436 ' O ' ' HB ' ' A' ' 27' ' ' VAL . . . -55.29 -59.85 9.78 Favored Glycine 0 C--O 1.258 1.654 0 CA-C-N 111.651 -2.274 . . . . 10.0 114.28 167.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -30.53 70.4 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 114.201 1.186 . . . . 10.0 114.201 -173.132 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.564 HD12 ' HA2' ' A' ' 23' ' ' GLY . 80.1 mt -61.38 -38.85 80.9 Favored 'Isoleucine or valine' 0 C--O 1.256 1.429 0 O-C-N 125.206 1.567 . . . . 10.0 109.159 173.185 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 31' ' ' VAL . 40.7 t -60.39 -35.82 65.17 Favored 'Isoleucine or valine' 0 C--O 1.25 1.097 0 O-C-N 127.246 2.841 . . . . 10.0 111.412 175.89 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.97 -49.77 41.13 Favored Glycine 0 C--O 1.26 1.733 0 O-C-N 125.102 1.502 . . . . 10.0 113.715 171.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.17 79.92 Favored 'General case' 0 C--O 1.252 1.19 0 O-C-N 125.22 1.188 . . . . 10.0 109.772 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 27' ' ' VAL . 87.1 mt -57.94 -33.98 69.4 Favored 'General case' 0 C--O 1.252 1.187 0 O-C-N 126.425 2.328 . . . . 10.0 110.443 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 27' ' ' VAL . 8.7 t -70.88 -47.17 64.32 Favored 'Isoleucine or valine' 0 C--O 1.253 1.284 0 O-C-N 126.85 2.594 . . . . 10.0 109.244 -179.016 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -35.75 53.78 Favored 'Isoleucine or valine' 0 C--O 1.257 1.465 0 O-C-N 125.623 1.827 . . . . 10.0 113.072 175.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 33' ' ' LEU . 17.1 mt -66.85 -63.02 1.15 Allowed 'General case' 0 C--O 1.252 1.213 0 O-C-N 125.847 1.967 . . . . 10.0 109.504 177.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.22 -51.53 4.68 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 128.521 3.638 . . . . 10.0 110.155 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.9 t -67.18 -37.09 78.53 Favored 'Isoleucine or valine' 0 C--O 1.257 1.487 0 O-C-N 126.665 2.478 . . . . 10.0 113.846 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.88 -27.33 65.7 Favored 'General case' 0 C--O 1.255 1.355 0 C-N-CA 118.688 -1.205 . . . . 10.0 111.101 175.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.18 -24.06 69.71 Favored Glycine 0 C--O 1.257 1.566 0 C-N-CA 120.045 -1.074 . . . . 10.0 111.259 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.24 -30.65 68.83 Favored 'General case' 0 C--O 1.26 1.626 0 O-C-N 125.338 1.258 . . . . 10.0 112.048 173.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.0 mt -77.56 -39.92 27.73 Favored 'Isoleucine or valine' 0 C--O 1.256 1.402 0 O-C-N 123.897 0.748 . . . . 10.0 111.684 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -58.86 -40.42 84.26 Favored 'General case' 0 C--O 1.259 1.58 0 O-C-N 125.868 1.98 . . . . 10.0 108.251 174.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.9 m -67.27 -23.63 65.7 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 124.391 1.057 . . . . 10.0 111.428 175.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 tpt -76.45 -33.13 58.74 Favored 'General case' 0 C--O 1.257 1.49 0 O-C-N 125.241 1.588 . . . . 10.0 112.501 -177.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.49 -49.78 30.65 Favored 'General case' 0 C--O 1.255 1.388 0 O-C-N 125.399 1.687 . . . . 10.0 112.112 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.321 39.7 mtt180 -47.41 -44.92 24.96 Favored 'General case' 0 C--O 1.257 1.498 0 O-C-N 125.377 1.673 . . . . 10.0 110.626 176.738 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -72.52 -57.86 3.83 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 109.897 -3.319 . . . . 10.0 109.163 -172.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.382 0 O-C-N 126.343 2.277 . . . . 10.0 115.178 -175.443 . . . . . . . . 0 0 . 1 stop_ save_