data_1hgz_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 1hgz _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' ' ' MET . . . . . . . . . . . . . 54.6 mtt . . . . . 0 CA--C 1.558 1.267 0 N-CA-C 109.812 -0.44 . . . . 91.26 109.812 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . 0.938 ' O ' ' HD2' ' A' ' 5' ' ' PRO . 11.0 t70 -123.8 -35.8 2.82 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 118.301 -0.857 . . . . 79.27 111.306 -179.45 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . 0.715 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -59.69 -25.45 64.77 Favored 'General case' 1 N--CA 1.548 4.465 0 C-N-CA 125.378 1.471 . . . . 82.43 107.427 176.414 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASN . . . . . 1.069 ' HB2' ' HD3' ' A' ' 5' ' ' PRO . 3.1 m120 -53.9 -64.68 1.63 Allowed Pre-proline 0 C--N 1.362 1.109 0 C-N-CA 126.944 2.097 . . . . 84.27 111.436 -178.713 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PRO . . . . . 1.069 ' HD3' ' HB2' ' A' ' 4' ' ' ASN . 80.0 Cg_exo -54.5 -27.79 51.61 Favored 'Trans proline' 0 CA--C 1.571 2.349 0 C-N-CA 122.534 2.156 . . . . 89.71 115.228 -177.223 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 39.3 m -76.6 -49.35 16.51 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 123.697 0.799 . . . . 95.77 112.323 177.007 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . 0.715 ' HG3' ' O ' ' A' ' 3' ' ' PHE . 35.4 mt-10 -55.09 -28.35 51.8 Favored 'General case' 0 CA--C 1.471 -2.072 0 N-CA-C 106.741 -1.578 . . . . 88.86 106.741 179.387 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . 0.715 HG12 ' HB2' ' A' ' 11' ' ' GLN . 22.1 t -70.17 -27.02 30.71 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.085 0 O-C-N 126.44 2.338 . . . . 94.38 111.008 178.594 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 6' ' ' SER . . . -53.63 -28.71 34.29 Favored 'General case' 0 N--CA 1.409 -2.519 0 N-CA-C 103.369 -2.826 . . . . 80.43 103.369 -179.957 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . 0.468 ' N ' ' C ' ' A' ' 8' ' ' VAL . 66.6 m -62.55 -28.87 70.16 Favored 'General case' 0 C--O 1.197 -1.698 0 CA-C-N 116.347 -0.388 . . . . 83.39 110.966 174.908 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . 0.715 ' HB2' HG12 ' A' ' 8' ' ' VAL . 18.1 mm100 -73.13 -35.36 66.51 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 115.136 1.532 . . . . 93.42 115.136 -178.765 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . 0.608 ' O ' HG12 ' A' ' 16' ' ' ILE . 53.8 t -76.48 -49.28 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 CA-C-O 125.192 2.425 . . . . 83.57 108.684 177.776 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.8 m -54.38 -40.33 68.06 Favored 'General case' 0 CA--C 1.579 2.077 0 CA-C-N 111.324 -2.671 . . . . 76.49 114.924 -177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -75.09 -28.34 60.26 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 120.187 -1.571 . . . . 100.0 108.072 177.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TYR . . . . . 0.695 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.8 m-30 -70.33 -29.81 66.61 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 107.679 -1.23 . . . . 79.78 107.679 178.047 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' ' 12' ' ' VAL . 14.6 mm -76.32 -31.34 20.77 Favored 'Isoleucine or valine' 0 C--O 1.254 1.336 0 N-CA-C 119.993 3.331 . . . . 81.43 119.993 -179.441 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 17' ' ' GLN . 11.0 mt-30 -54.51 -51.99 63.37 Favored 'General case' 0 N--CA 1.537 3.879 0 CA-C-N 122.47 2.395 . . . . 92.45 113.863 -171.382 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -76.59 -38.82 54.22 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 120.72 1.6 . . . . 81.7 110.507 179.212 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . 0.695 ' CD1' ' O ' ' A' ' 15' ' ' TYR . 40.1 mt -54.96 -49.61 69.53 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.09 0 CA-C-N 114.051 -1.431 . . . . 83.04 112.927 -175.888 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -53.64 -30.04 41.07 Favored 'General case' 0 N--CA 1.41 -2.468 0 C-N-CA 117.53 -1.668 . . . . 76.34 107.051 -178.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . 0.77 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -68.99 -26.08 64.84 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.268 1.427 . . . . 91.02 114.731 179.199 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' ALA . . . -52.64 -50.38 63.28 Favored 'General case' 0 C--O 1.2 -1.503 0 C-N-CA 115.517 -2.473 . . . . 81.31 113.738 -169.245 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . 0.681 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . -76.53 -50.03 7.62 Favored Glycine 0 C--O 1.196 -2.23 0 CA-C-N 120.274 1.397 . . . . 85.36 112.134 178.542 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . 0.554 HG11 ' O ' ' A' ' 24' ' ' VAL . 16.8 t -76.69 -38.78 30.96 Favored 'Isoleucine or valine' 0 C--O 1.254 1.301 0 N-CA-C 114.74 1.385 . . . . 96.82 114.74 177.009 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . 0.77 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -75.76 -50.8 7.6 Favored Glycine 0 C--N 1.36 1.903 0 N-CA-C 121.24 3.256 . . . . 85.88 121.24 -172.334 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.5 t -76.56 -36.17 27.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.134 0 CA-C-N 122.051 2.925 . . . . 100.0 108.079 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . 1.084 ' HB3' HG13 ' A' ' 31' ' ' ILE 0.265 3.5 mp -54.16 -27.27 32.67 Favored 'General case' 1 C--O 1.133 -5.048 0 CA-C-N 111.721 -2.491 . . . . 99.14 114.825 177.705 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' LEU . . . -53.49 -27.21 24.15 Favored 'General case' 0 C--N 1.273 -2.738 0 CA-C-N 123.636 2.926 . . . . 86.07 108.757 178.058 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . 0.694 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 73.7 mt -61.88 -50.92 70.3 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 118.286 -1.366 . . . . 79.16 108.185 178.957 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . 0.849 ' O ' ' HB2' ' A' ' 33' ' ' LEU . . . -76.93 -32.52 57.41 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 115.215 1.561 . . . . 76.2 115.215 173.233 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . 1.084 HG13 ' HB3' ' A' ' 27' ' ' LEU . 2.8 mt -76.48 -46.46 31.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.142 -1.599 . . . . 80.44 113.46 -176.42 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . 0.601 ' C ' ' O ' ' A' ' 31' ' ' ILE . . . -54.48 -32.06 52.39 Favored Glycine 0 N--CA 1.409 -3.149 1 N-CA-C 102.54 -4.224 . . . . 85.04 102.54 -179.332 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . 0.961 ' O ' ' HB2' ' A' ' 37' ' ' TRP . 2.5 mm? -54.51 -26.99 34.91 Favored 'General case' 0 C--O 1.196 -1.74 0 CA-C-N 112.403 -1.899 . . . . 87.34 113.089 176.378 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' ILE . 39.3 m -67.07 -32.09 73.02 Favored 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 105.072 -2.196 . . . . 74.66 105.072 176.503 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . 0.618 ' O ' ' HB2' ' A' ' 38' ' ' LYS . . . -76.07 -49.19 18.15 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 113.155 -1.839 . . . . 82.06 108.344 175.079 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . 0.755 ' HB3' HD11 ' A' ' 33' ' ' LEU . . . -63.03 -28.19 69.93 Favored 'General case' 0 C--O 1.189 -2.081 0 N-CA-C 105.725 -1.954 . . . . 91.35 105.725 175.467 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TRP . . . . . 0.961 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 1.8 t90 -66.33 -34.62 78.4 Favored 'General case' 0 C--N 1.267 -3.012 0 N-CA-C 106.851 -1.536 . . . . 93.84 106.851 179.005 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . 0.618 ' HB2' ' O ' ' A' ' 35' ' ' ALA 0.259 12.6 mtmt -54.71 -50.85 67.31 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 122.89 1.329 . . . . 84.86 113.011 177.332 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . 0.939 ' HB3' ' HE2' ' A' ' 43' ' ' PHE . 74.1 m-85 -59.45 -27.95 66.53 Favored 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 107.294 -1.373 . . . . 95.26 107.294 -177.284 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 37' ' ' TRP . . . -54.77 -50.18 69.09 Favored 'General case' 0 C--O 1.193 -1.917 0 C-N-CA 118.726 -1.19 . . . . 78.11 109.332 -178.518 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . 0.718 ' HE3' ' CH2' ' A' ' 37' ' ' TRP 0.275 39.4 mttt -76.56 -28.58 56.32 Favored 'General case' 0 C--N 1.279 -2.48 0 N-CA-C 117.596 2.443 . . . . 82.73 117.596 -179.33 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . 1.1 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 19.5 mtm180 -72.36 -32.42 66.44 Favored 'General case' 1 N--CA 1.553 4.685 0 N-CA-C 117.367 2.358 . . . . 84.45 117.367 -175.876 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . 0.939 ' HE2' ' HB3' ' A' ' 39' ' ' TYR . 34.2 m-85 -67.58 -28.67 67.96 Favored 'General case' 0 N--CA 1.396 -3.164 0 N-CA-C 104.372 -2.455 . . . . 90.26 104.372 179.805 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . 0.712 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 64.5 mt -75.38 -43.77 48.49 Favored 'General case' 0 CA--C 1.623 3.762 0 CA-C-N 111.761 -2.472 . . . . 82.63 108.418 176.831 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . 1.1 ' HB2' ' HA ' ' A' ' 42' ' ' ARG . 69.2 mttt -75.59 -27.42 58.54 Favored 'General case' 1 N--CA 1.542 4.155 1 C-N-CA 131.762 4.025 . . . . 86.68 117.302 -178.374 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . . . . . . 0 CA--C 1.56 2.885 0 CA-C-O 117.336 -1.813 . . . . 81.04 114.933 -177.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtt . . . . . 0 CA--C 1.558 1.267 0 N-CA-C 109.812 -0.44 . . . . 11.26 109.812 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . 0.837 ' O ' ' HD2' ' A' ' 5' ' ' PRO . 11.0 t70 -123.8 -35.8 2.82 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 118.301 -0.857 . . . . 4.07 111.306 -179.45 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . 0.626 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -59.69 -25.45 64.77 Favored 'General case' 1 N--CA 1.548 4.465 0 C-N-CA 125.378 1.471 . . . . 20.23 107.427 176.414 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASN . . . . . 0.967 ' HB2' ' HD3' ' A' ' 5' ' ' PRO . 3.1 m120 -53.9 -64.68 1.63 Allowed Pre-proline 0 C--N 1.362 1.109 0 C-N-CA 126.944 2.097 . . . . 4.27 111.436 -178.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PRO . . . . . 0.967 ' HD3' ' HB2' ' A' ' 4' ' ' ASN . 80.0 Cg_exo -54.5 -27.79 51.61 Favored 'Trans proline' 0 CA--C 1.571 2.349 0 C-N-CA 122.534 2.156 . . . . 25.07 115.228 -177.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -76.6 -49.35 16.51 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 123.697 0.799 . . . . 21.96 112.323 177.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . 0.626 ' HG3' ' O ' ' A' ' 3' ' ' PHE . 35.4 mt-10 -55.09 -28.35 51.8 Favored 'General case' 0 CA--C 1.471 -2.072 0 N-CA-C 106.741 -1.578 . . . . 8.86 106.741 179.387 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . 0.547 HG13 ' HB2' ' A' ' 11' ' ' GLN . 22.1 t -70.17 -27.02 30.71 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.085 0 O-C-N 126.44 2.338 . . . . 14.38 111.008 178.594 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 8' ' ' VAL . . . -53.63 -28.71 34.29 Favored 'General case' 0 N--CA 1.409 -2.519 0 N-CA-C 103.369 -2.826 . . . . 4.0 103.369 -179.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . 0.468 ' N ' ' C ' ' A' ' 8' ' ' VAL . 66.6 m -62.55 -28.87 70.16 Favored 'General case' 0 C--O 1.197 -1.698 0 CA-C-N 116.347 -0.388 . . . . 4.0 110.966 174.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . 0.547 ' HB2' HG13 ' A' ' 8' ' ' VAL . 18.1 mm100 -73.13 -35.36 66.51 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 115.136 1.532 . . . . 13.42 115.136 -178.765 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . 0.503 ' O ' HG12 ' A' ' 16' ' ' ILE . 53.8 t -76.48 -49.28 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 CA-C-O 125.192 2.425 . . . . 4.0 108.684 177.776 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.8 m -54.38 -40.33 68.06 Favored 'General case' 0 CA--C 1.579 2.077 0 CA-C-N 111.324 -2.671 . . . . 11.78 114.924 -177.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -75.09 -28.34 60.26 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 120.187 -1.571 . . . . 20.55 108.072 177.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TYR . . . . . 0.8 ' O ' HD12 ' A' ' 19' ' ' ILE . 3.8 m-30 -70.33 -29.81 66.61 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 107.679 -1.23 . . . . 10.99 107.679 178.047 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 12' ' ' VAL . 14.6 mm -76.32 -31.34 20.77 Favored 'Isoleucine or valine' 0 C--O 1.254 1.336 0 N-CA-C 119.993 3.331 . . . . 11.37 119.993 -179.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -54.51 -51.99 63.37 Favored 'General case' 0 N--CA 1.537 3.879 0 CA-C-N 122.47 2.395 . . . . 18.0 113.863 -171.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -76.59 -38.82 54.22 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 120.72 1.6 . . . . 4.0 110.507 179.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . 0.8 HD12 ' O ' ' A' ' 15' ' ' TYR . 40.1 mt -54.96 -49.61 69.53 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.09 0 CA-C-N 114.051 -1.431 . . . . 21.21 112.927 -175.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -53.64 -30.04 41.07 Favored 'General case' 0 N--CA 1.41 -2.468 0 C-N-CA 117.53 -1.668 . . . . 5.44 107.051 -178.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . 0.77 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -68.99 -26.08 64.84 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.268 1.427 . . . . 11.02 114.731 179.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' ALA . . . -52.64 -50.38 63.28 Favored 'General case' 0 C--O 1.2 -1.503 0 C-N-CA 115.517 -2.473 . . . . 6.36 113.738 -169.245 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . 0.622 ' O ' HD22 ' A' ' 27' ' ' LEU . . . -76.53 -50.03 7.62 Favored Glycine 0 C--O 1.196 -2.23 0 CA-C-N 120.274 1.397 . . . . 5.2 112.134 178.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 t -76.69 -38.78 30.96 Favored 'Isoleucine or valine' 0 C--O 1.254 1.301 0 N-CA-C 114.74 1.385 . . . . 16.82 114.74 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . 0.77 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -75.76 -50.8 7.6 Favored Glycine 0 C--N 1.36 1.903 0 N-CA-C 121.24 3.256 . . . . 29.41 121.24 -172.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.5 t -76.56 -36.17 27.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.134 0 CA-C-N 122.051 2.925 . . . . 28.42 108.079 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . 0.972 ' HB3' HG13 ' A' ' 31' ' ' ILE 0.265 3.5 mp -54.16 -27.27 32.67 Favored 'General case' 1 C--O 1.133 -5.048 0 CA-C-N 111.721 -2.491 . . . . 19.14 114.825 177.705 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' LEU . . . -53.49 -27.21 24.15 Favored 'General case' 0 C--N 1.273 -2.738 0 CA-C-N 123.636 2.926 . . . . 6.07 108.757 178.058 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . 0.941 ' O ' HD23 ' A' ' 33' ' ' LEU . 73.7 mt -61.88 -50.92 70.3 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 118.286 -1.366 . . . . 12.3 108.185 178.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . 0.767 ' O ' ' HB2' ' A' ' 33' ' ' LEU . . . -76.93 -32.52 57.41 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 115.215 1.561 . . . . 4.0 115.215 173.233 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . 0.972 HG13 ' HB3' ' A' ' 27' ' ' LEU . 2.8 mt -76.48 -46.46 31.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.142 -1.599 . . . . 4.0 113.46 -176.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . 0.709 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -54.48 -32.06 52.39 Favored Glycine 0 N--CA 1.409 -3.149 1 N-CA-C 102.54 -4.224 . . . . 4.0 102.54 -179.332 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 0.941 HD23 ' O ' ' A' ' 29' ' ' LEU . 2.5 mm? -54.51 -26.99 34.91 Favored 'General case' 0 C--O 1.196 -1.74 0 CA-C-N 112.403 -1.899 . . . . 12.05 113.089 176.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' ILE . 39.3 m -67.07 -32.09 73.02 Favored 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 105.072 -2.196 . . . . 7.96 105.072 176.503 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 32' ' ' GLY . . . -76.07 -49.19 18.15 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 113.155 -1.839 . . . . 6.19 108.344 175.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . 0.824 ' HB3' ' HA ' ' A' ' 33' ' ' LEU . . . -63.03 -28.19 69.93 Favored 'General case' 0 C--O 1.189 -2.081 0 N-CA-C 105.725 -1.954 . . . . 11.35 105.725 175.467 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TRP . . . . . 0.91 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 1.8 t90 -66.33 -34.62 78.4 Favored 'General case' 0 C--N 1.267 -3.012 0 N-CA-C 106.851 -1.536 . . . . 13.84 106.851 179.005 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 35' ' ' ALA 0.259 12.6 mtmt -54.71 -50.85 67.31 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 122.89 1.329 . . . . 9.74 113.011 177.332 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . 0.798 ' HB3' ' HE2' ' A' ' 43' ' ' PHE . 74.1 m-85 -59.45 -27.95 66.53 Favored 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 107.294 -1.373 . . . . 15.26 107.294 -177.284 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 37' ' ' TRP . . . -54.77 -50.18 69.09 Favored 'General case' 0 C--O 1.193 -1.917 0 C-N-CA 118.726 -1.19 . . . . 10.04 109.332 -178.518 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . 0.686 ' HA ' HD12 ' A' ' 44' ' ' LEU 0.275 39.4 mttt -76.56 -28.58 56.32 Favored 'General case' 0 C--N 1.279 -2.48 0 N-CA-C 117.596 2.443 . . . . 4.0 117.596 -179.33 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . 0.882 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 19.5 mtm180 -72.36 -32.42 66.44 Favored 'General case' 1 N--CA 1.553 4.685 0 N-CA-C 117.367 2.358 . . . . 4.45 117.367 -175.876 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . 0.798 ' HE2' ' HB3' ' A' ' 39' ' ' TYR . 34.2 m-85 -67.58 -28.67 67.96 Favored 'General case' 0 N--CA 1.396 -3.164 0 N-CA-C 104.372 -2.455 . . . . 10.26 104.372 179.805 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 41' ' ' LYS . 64.5 mt -75.38 -43.77 48.49 Favored 'General case' 0 CA--C 1.623 3.762 0 CA-C-N 111.761 -2.472 . . . . 21.09 108.418 176.831 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.882 ' HB2' ' HA ' ' A' ' 42' ' ' ARG . 69.2 mttt -75.59 -27.42 58.54 Favored 'General case' 1 N--CA 1.542 4.155 1 C-N-CA 131.762 4.025 . . . . 19.87 117.302 -178.374 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . . . . . . 0 CA--C 1.56 2.885 0 CA-C-O 117.336 -1.813 . . . . 4.09 114.933 -177.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtt . . . . . 0 CA--C 1.558 1.267 0 N-CA-C 109.812 -0.44 . . . . 11.26 109.812 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.837 ' O ' ' HD2' ' A' ' 5' ' ' PRO . 11.0 t70 -123.8 -35.8 2.82 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 118.301 -0.857 . . . . 4.07 111.306 -179.45 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.626 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -59.69 -25.45 64.77 Favored 'General case' 1 N--CA 1.548 4.465 0 C-N-CA 125.378 1.471 . . . . 20.23 107.427 176.414 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.967 ' HB2' ' HD3' ' A' ' 5' ' ' PRO . 3.1 m120 -53.9 -64.68 1.63 Allowed Pre-proline 0 C--N 1.362 1.109 0 C-N-CA 126.944 2.097 . . . . 4.27 111.436 -178.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.967 ' HD3' ' HB2' ' A' ' 4' ' ' ASN . 80.0 Cg_exo -54.5 -27.79 51.61 Favored 'Trans proline' 0 CA--C 1.571 2.349 0 C-N-CA 122.534 2.156 . . . . 25.07 115.228 -177.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -76.6 -49.35 16.51 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 123.697 0.799 . . . . 21.96 112.323 177.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.626 ' HG3' ' O ' ' A' ' 3' ' ' PHE . 35.4 mt-10 -55.09 -28.35 51.8 Favored 'General case' 0 CA--C 1.471 -2.072 0 N-CA-C 106.741 -1.578 . . . . 8.86 106.741 179.387 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.547 HG13 ' HB2' ' A' ' 11' ' ' GLN . 22.1 t -70.17 -27.02 30.71 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.085 0 O-C-N 126.44 2.338 . . . . 14.38 111.008 178.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 8' ' ' VAL . . . -53.63 -28.71 34.29 Favored 'General case' 0 N--CA 1.409 -2.519 0 N-CA-C 103.369 -2.826 . . . . 4.0 103.369 -179.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . 0.468 ' N ' ' C ' ' A' ' 8' ' ' VAL . 66.6 m -62.55 -28.87 70.16 Favored 'General case' 0 C--O 1.197 -1.698 0 CA-C-N 116.347 -0.388 . . . . 4.0 110.966 174.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.547 ' HB2' HG13 ' A' ' 8' ' ' VAL . 18.1 mm100 -73.13 -35.36 66.51 Favored 'General case' 0 N--CA 1.511 2.605 0 N-CA-C 115.136 1.532 . . . . 13.42 115.136 -178.765 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.503 ' O ' HG12 ' A' ' 16' ' ' ILE . 53.8 t -76.48 -49.28 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 CA-C-O 125.192 2.425 . . . . 4.0 108.684 177.776 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.8 m -54.38 -40.33 68.06 Favored 'General case' 0 CA--C 1.579 2.077 0 CA-C-N 111.324 -2.671 . . . . 11.78 114.924 -177.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -75.09 -28.34 60.26 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 120.187 -1.571 . . . . 20.55 108.072 177.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.8 ' O ' HD12 ' A' ' 19' ' ' ILE . 3.8 m-30 -70.33 -29.81 66.61 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 107.679 -1.23 . . . . 10.99 107.679 178.047 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 12' ' ' VAL . 14.6 mm -76.32 -31.34 20.77 Favored 'Isoleucine or valine' 0 C--O 1.254 1.336 0 N-CA-C 119.993 3.331 . . . . 11.37 119.993 -179.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -54.51 -51.99 63.37 Favored 'General case' 0 N--CA 1.537 3.879 0 CA-C-N 122.47 2.395 . . . . 18.0 113.863 -171.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -76.59 -38.82 54.22 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 120.72 1.6 . . . . 4.0 110.507 179.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.8 HD12 ' O ' ' A' ' 15' ' ' TYR . 40.1 mt -54.96 -49.61 69.53 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.09 0 CA-C-N 114.051 -1.431 . . . . 21.21 112.927 -175.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -53.64 -30.04 41.07 Favored 'General case' 0 N--CA 1.41 -2.468 0 C-N-CA 117.53 -1.668 . . . . 5.44 107.051 -178.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.77 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -68.99 -26.08 64.84 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 125.268 1.427 . . . . 11.02 114.731 179.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' ALA . . . -52.64 -50.38 63.28 Favored 'General case' 0 C--O 1.2 -1.503 0 C-N-CA 115.517 -2.473 . . . . 6.36 113.738 -169.245 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.622 ' O ' HD22 ' A' ' 27' ' ' LEU . . . -76.53 -50.03 7.62 Favored Glycine 0 C--O 1.196 -2.23 0 CA-C-N 120.274 1.397 . . . . 5.2 112.134 178.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 t -76.69 -38.78 30.96 Favored 'Isoleucine or valine' 0 C--O 1.254 1.301 0 N-CA-C 114.74 1.385 . . . . 16.82 114.74 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.77 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -75.76 -50.8 7.6 Favored Glycine 0 C--N 1.36 1.903 0 N-CA-C 121.24 3.256 . . . . 29.41 121.24 -172.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.5 t -76.56 -36.17 27.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.134 0 CA-C-N 122.051 2.925 . . . . 28.42 108.079 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.972 ' HB3' HG13 ' A' ' 31' ' ' ILE 0.265 3.5 mp -54.16 -27.27 32.67 Favored 'General case' 1 C--O 1.133 -5.048 0 CA-C-N 111.721 -2.491 . . . . 19.14 114.825 177.705 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' LEU . . . -53.49 -27.21 24.15 Favored 'General case' 0 C--N 1.273 -2.738 0 CA-C-N 123.636 2.926 . . . . 6.07 108.757 178.058 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.941 ' O ' HD23 ' A' ' 33' ' ' LEU . 73.7 mt -61.88 -50.92 70.3 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 118.286 -1.366 . . . . 12.3 108.185 178.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.767 ' O ' ' HB2' ' A' ' 33' ' ' LEU . . . -76.93 -32.52 57.41 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 115.215 1.561 . . . . 4.0 115.215 173.233 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.972 HG13 ' HB3' ' A' ' 27' ' ' LEU . 2.8 mt -76.48 -46.46 31.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.142 -1.599 . . . . 4.0 113.46 -176.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.709 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -54.48 -32.06 52.39 Favored Glycine 0 N--CA 1.409 -3.149 1 N-CA-C 102.54 -4.224 . . . . 4.0 102.54 -179.332 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.941 HD23 ' O ' ' A' ' 29' ' ' LEU . 2.5 mm? -54.51 -26.99 34.91 Favored 'General case' 0 C--O 1.196 -1.74 0 CA-C-N 112.403 -1.899 . . . . 12.05 113.089 176.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' ILE . 39.3 m -67.07 -32.09 73.02 Favored 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 105.072 -2.196 . . . . 7.96 105.072 176.503 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 32' ' ' GLY . . . -76.07 -49.19 18.15 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 113.155 -1.839 . . . . 6.19 108.344 175.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.824 ' HB3' ' HA ' ' A' ' 33' ' ' LEU . . . -63.03 -28.19 69.93 Favored 'General case' 0 C--O 1.189 -2.081 0 N-CA-C 105.725 -1.954 . . . . 11.35 105.725 175.467 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.91 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 1.8 t90 -66.33 -34.62 78.4 Favored 'General case' 0 C--N 1.267 -3.012 0 N-CA-C 106.851 -1.536 . . . . 13.84 106.851 179.005 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 35' ' ' ALA 0.259 12.6 mtmt -54.71 -50.85 67.31 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 122.89 1.329 . . . . 9.74 113.011 177.332 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.798 ' HB3' ' HE2' ' A' ' 43' ' ' PHE . 74.1 m-85 -59.45 -27.95 66.53 Favored 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 107.294 -1.373 . . . . 15.26 107.294 -177.284 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 37' ' ' TRP . . . -54.77 -50.18 69.09 Favored 'General case' 0 C--O 1.193 -1.917 0 C-N-CA 118.726 -1.19 . . . . 10.04 109.332 -178.518 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.686 ' HA ' HD12 ' A' ' 44' ' ' LEU 0.275 39.4 mttt -76.56 -28.58 56.32 Favored 'General case' 0 C--N 1.279 -2.48 0 N-CA-C 117.596 2.443 . . . . 4.0 117.596 -179.33 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.882 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 19.5 mtm180 -72.36 -32.42 66.44 Favored 'General case' 1 N--CA 1.553 4.685 0 N-CA-C 117.367 2.358 . . . . 4.45 117.367 -175.876 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.798 ' HE2' ' HB3' ' A' ' 39' ' ' TYR . 34.2 m-85 -67.58 -28.67 67.96 Favored 'General case' 0 N--CA 1.396 -3.164 0 N-CA-C 104.372 -2.455 . . . . 10.26 104.372 179.805 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 41' ' ' LYS . 64.5 mt -75.38 -43.77 48.49 Favored 'General case' 0 CA--C 1.623 3.762 0 CA-C-N 111.761 -2.472 . . . . 21.09 108.418 176.831 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.882 ' HB2' ' HA ' ' A' ' 42' ' ' ARG . 69.2 mttt -75.59 -27.42 58.54 Favored 'General case' 1 N--CA 1.542 4.155 1 C-N-CA 131.762 4.025 . . . . 19.87 117.302 -178.374 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . . . . . . 0 CA--C 1.56 2.885 0 CA-C-O 117.336 -1.813 . . . . 4.09 114.933 -177.969 . . . . . . . . 1 1 . 1 stop_ save_