data_6tup_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6tup _Structure_validation_residue.Date_analyzed 2020-02-21 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 1.227 -0.331 0 CA-C-O 121.719 0.621 . . . . 105.16 112.211 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 m -77.09 163.91 3.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.274 1.035 . . . . 102.85 110.081 -172.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.76 132.16 70.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 106.252 -1.759 . . . . 99.13 106.252 170.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 14.1 p-10 -67.47 106.31 2.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.641 0.734 . . . . 104.84 110.82 -174.432 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 p -101.55 28.36 5.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.906 -0.588 . . . . 101.71 111.162 175.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -70.74 -23.27 62.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 112.045 0.387 . . . . 103.29 112.045 176.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.36 3.65 23.54 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.86 0.689 . . . . 100.45 112.86 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.2 -57.22 4.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 118.426 0.557 . . . . 98.14 110.591 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -67.44 -26.97 66.67 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.431 -0.508 . . . . 100.69 111.88 -178.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.8 t -71.51 -19.02 62.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 119.612 -0.835 . . . . 98.58 111.999 173.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.22 -31.73 12.8 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.2 -0.6 . . . . 94.29 112.565 -175.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.3 pt -107.38 -15.22 9.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 119.126 -1.03 . . . . 90.56 113.033 -172.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.3 m -69.86 -34.71 73.96 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 118.793 -1.163 . . . . 92.43 109.834 165.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -72.27 -18.93 61.76 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.918 -0.713 . . . . 96.99 111.757 166.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.47 -46.9 13.6 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.957 -1.116 . . . . 92.25 112.164 172.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -75.36 -17.72 60.15 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 119.696 -0.802 . . . . 85.88 112.212 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.31 -11.65 79.68 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 119.84 -1.172 . . . . 89.12 113.884 168.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -97.53 -21.96 16.8 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 117.796 0.798 . . . . 91.87 112.716 176.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 95.3 mtp -67.02 -33.27 75.18 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.102 -0.639 . . . . 89.44 111.16 171.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -68.56 -29.93 68.59 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.903 -0.319 . . . . 86.78 111.624 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -41.96 71.95 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.384 -0.526 . . . . 86.25 110.969 -177.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.8 pt -90.38 8.07 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 112.687 0.625 . . . . 88.92 112.687 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -89.1 -40.04 6.27 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 108.965 -1.654 . . . . 85.83 108.965 168.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.02 -16.98 75.22 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.952 -0.642 . . . . 83.97 113.868 176.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -84.0 -11.65 56.46 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 117.749 0.775 . . . . 85.5 112.415 175.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.6 mm -92.92 -38.9 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 118.051 0.387 . . . . 77.79 110.951 175.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.22 -36.97 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 CA-C-O 121.14 0.495 . . . . 73.65 110.552 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.89 -12.73 62.84 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-O 118.837 -0.98 . . . . 71.82 114.725 173.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.35 -12.04 15.42 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 118.625 1.212 . . . . 71.37 113.438 176.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.5 mt -87.33 -20.79 26.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.975 0.807 . . . . 71.9 112.895 173.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.36 -11.63 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 C-N-CA 119.649 -0.82 . . . . 72.36 112.347 174.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -70.02 -42.58 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 C-N-CA 119.598 -0.841 . . . . 72.94 109.867 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 pp -87.35 7.17 30.04 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.682 -0.807 . . . . 74.56 112.555 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.63 -41.74 9.14 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 118.955 -1.098 . . . . 75.18 111.193 166.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.25 -47.91 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-O 121.064 0.459 . . . . 75.8 110.501 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.11 -13.06 62.03 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 119.854 -0.738 . . . . 74.51 112.78 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.59 -30.29 64.43 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 119.787 -1.197 . . . . 77.02 113.058 176.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -117.55 1.65 12.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 113.416 0.895 . . . . 77.4 113.416 -172.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 pp -93.22 -4.53 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 C-N-CA 118.1 -1.44 . . . . 75.13 109.992 160.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -76.19 -29.44 57.65 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 118.775 -1.17 . . . . 77.51 110.429 163.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m -73.73 -24.28 59.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.089 0.403 . . . . 78.74 112.089 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.3 tpp -72.71 -39.26 67.12 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.907 -0.717 . . . . 80.09 110.994 175.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.86 -31.05 67.62 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 119.923 -0.711 . . . . 76.48 112.054 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -75.66 -35.77 60.3 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.491 -0.884 . . . . 81.59 111.898 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -75.22 -25.77 58.41 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.871 -0.331 . . . . 82.71 111.553 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 111.849 0.314 . . . . 88.5 111.849 178.364 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' z' z ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.517 -0.283 0 O4'-C4'-C3' 106.027 0.427 . . . . 211.93 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' z' z ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.6 -0.598 0 O3'-P-O5' 103.008 -0.522 . . . . 214.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' z' z ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.6 -0.57 0 O3'-P-O5' 103.002 -0.525 . . . . 213.45 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' z' z ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.6 -0.606 0 O3'-P-O5' 103.039 -0.506 . . . . 214.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' z' z ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.6 -0.576 0 O3'-P-O5' 103.017 -0.517 . . . . 215.2 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' z' z ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.599 -0.635 0 O3'-P-O5' 103.043 -0.503 . . . . 214.4 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.331 0 CA-C-O 121.719 0.621 . . . . 105.16 112.211 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 m -77.09 163.91 3.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.274 1.035 . . . . 102.84999999999999 110.081 -172.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.76 132.16 70.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 106.252 -1.759 . . . . 99.129999999999995 106.252 170.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 14.1 p-10 -67.47 106.31 2.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.641 0.734 . . . . 104.84 110.82 -174.432 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 p -101.55 28.36 5.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.906 -0.588 . . . . 101.70999999999999 111.162 175.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -70.74 -23.27 62.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 112.045 0.387 . . . . 103.29000000000001 112.045 176.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.36 3.65 23.54 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.86 0.689 . . . . 100.45 112.86 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.2 -57.22 4.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 118.426 0.557 . . . . 98.140000000000001 110.591 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -67.44 -26.97 66.67 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.431 -0.508 . . . . 100.69 111.88 -178.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.8 t -71.51 -19.02 62.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 119.612 -0.835 . . . . 98.579999999999998 111.999 173.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.22 -31.73 12.8 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.2 -0.6 . . . . 94.290000000000006 112.565 -175.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.3 pt -107.38 -15.22 9.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 119.126 -1.03 . . . . 90.560000000000002 113.033 -172.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.3 m -69.86 -34.71 73.96 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 118.793 -1.163 . . . . 92.430000000000007 109.834 165.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -72.27 -18.93 61.76 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.918 -0.713 . . . . 96.989999999999995 111.757 166.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.47 -46.9 13.6 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.957 -1.116 . . . . 92.25 112.164 172.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -75.36 -17.72 60.15 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 119.696 -0.802 . . . . 85.879999999999995 112.212 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.31 -11.65 79.68 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 119.84 -1.172 . . . . 89.120000000000005 113.884 168.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -97.53 -21.96 16.8 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 117.796 0.798 . . . . 91.870000000000005 112.716 176.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 95.3 mtp -67.02 -33.27 75.18 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.102 -0.639 . . . . 89.439999999999998 111.16 171.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -68.56 -29.93 68.59 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.903 -0.319 . . . . 86.780000000000001 111.624 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -41.96 71.95 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.384 -0.526 . . . . 86.25 110.969 -177.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.8 pt -90.38 8.07 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 112.687 0.625 . . . . 88.920000000000002 112.687 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -89.1 -40.04 6.27 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 108.965 -1.654 . . . . 85.829999999999998 108.965 168.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.02 -16.98 75.22 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.952 -0.642 . . . . 83.969999999999999 113.868 176.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -84.0 -11.65 56.46 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 117.749 0.775 . . . . 85.5 112.415 175.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.6 mm -92.92 -38.9 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 118.051 0.387 . . . . 77.790000000000006 110.951 175.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.22 -36.97 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 CA-C-O 121.14 0.495 . . . . 73.650000000000006 110.552 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.89 -12.73 62.84 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-O 118.837 -0.98 . . . . 71.819999999999993 114.725 173.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.35 -12.04 15.42 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 118.625 1.212 . . . . 71.370000000000005 113.438 176.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.5 mt -87.33 -20.79 26.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.975 0.807 . . . . 71.900000000000006 112.895 173.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.36 -11.63 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 C-N-CA 119.649 -0.82 . . . . 72.359999999999999 112.347 174.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -70.02 -42.58 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 C-N-CA 119.598 -0.841 . . . . 72.939999999999998 109.867 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 pp -87.35 7.17 30.04 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.682 -0.807 . . . . 74.560000000000002 112.555 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.63 -41.74 9.14 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 118.955 -1.098 . . . . 75.180000000000007 111.193 166.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.25 -47.91 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-O 121.064 0.459 . . . . 75.799999999999997 110.501 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.11 -13.06 62.03 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 119.854 -0.738 . . . . 74.510000000000005 112.78 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.59 -30.29 64.43 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 119.787 -1.197 . . . . 77.019999999999996 113.058 176.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -117.55 1.65 12.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 113.416 0.895 . . . . 77.400000000000006 113.416 -172.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 pp -93.22 -4.53 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 C-N-CA 118.1 -1.44 . . . . 75.129999999999995 109.992 160.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -76.19 -29.44 57.65 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 118.775 -1.17 . . . . 77.510000000000005 110.429 163.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m -73.73 -24.28 59.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.089 0.403 . . . . 78.739999999999995 112.089 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.3 tpp -72.71 -39.26 67.12 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.907 -0.717 . . . . 80.090000000000003 110.994 175.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.86 -31.05 67.62 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 119.923 -0.711 . . . . 76.480000000000004 112.054 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -75.66 -35.77 60.3 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.491 -0.884 . . . . 81.590000000000003 111.898 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -75.22 -25.77 58.41 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.871 -0.331 . . . . 82.709999999999994 111.553 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 111.849 0.314 . . . . 88.5 111.849 178.364 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' z' z ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.517 -0.283 0 O4'-C4'-C3' 106.027 0.427 . . . . 211.93000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' z' z ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.6 -0.598 0 O3'-P-O5' 103.008 -0.522 . . . . 214.46000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' z' z ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.6 -0.57 0 O3'-P-O5' 103.002 -0.525 . . . . 213.44999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' z' z ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.6 -0.606 0 O3'-P-O5' 103.039 -0.506 . . . . 214.27000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' z' z ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.6 -0.576 0 O3'-P-O5' 103.017 -0.517 . . . . 215.19999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' z' z ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.599 -0.635 0 O3'-P-O5' 103.043 -0.503 . . . . 214.40000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.331 0 CA-C-O 121.719 0.621 . . . . 105.16 112.211 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 m -77.09 163.91 3.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.274 1.035 . . . . 102.85 110.081 -172.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.76 132.16 70.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 106.252 -1.759 . . . . 99.13 106.252 170.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 14.1 p-10 -67.47 106.31 2.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.641 0.734 . . . . 104.84 110.82 -174.432 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 p -101.55 28.36 5.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.906 -0.588 . . . . 101.71 111.162 175.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -70.74 -23.27 62.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 112.045 0.387 . . . . 103.29 112.045 176.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.36 3.65 23.54 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.86 0.689 . . . . 100.45 112.86 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.2 -57.22 4.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 118.426 0.557 . . . . 98.14 110.591 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -67.44 -26.97 66.67 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 120.431 -0.508 . . . . 100.69 111.88 -178.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.8 t -71.51 -19.02 62.25 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 119.612 -0.835 . . . . 98.58 111.999 173.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.22 -31.73 12.8 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.2 -0.6 . . . . 94.29 112.565 -175.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.3 pt -107.38 -15.22 9.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 119.126 -1.03 . . . . 90.56 113.033 -172.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.3 m -69.86 -34.71 73.96 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 118.793 -1.163 . . . . 92.43 109.834 165.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -72.27 -18.93 61.76 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.918 -0.713 . . . . 96.99 111.757 166.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.47 -46.9 13.6 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.957 -1.116 . . . . 92.25 112.164 172.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -75.36 -17.72 60.15 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 119.696 -0.802 . . . . 85.88 112.212 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.31 -11.65 79.68 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 119.84 -1.172 . . . . 89.12 113.884 168.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -97.53 -21.96 16.8 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 117.796 0.798 . . . . 91.87 112.716 176.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 95.3 mtp -67.02 -33.27 75.18 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.102 -0.639 . . . . 89.44 111.16 171.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -68.56 -29.93 68.59 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.903 -0.319 . . . . 86.78 111.624 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -41.96 71.95 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.384 -0.526 . . . . 86.25 110.969 -177.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.8 pt -90.38 8.07 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 112.687 0.625 . . . . 88.92 112.687 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -89.1 -40.04 6.27 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 108.965 -1.654 . . . . 85.83 108.965 168.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.02 -16.98 75.22 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.952 -0.642 . . . . 83.97 113.868 176.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -84.0 -11.65 56.46 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 117.749 0.775 . . . . 85.5 112.415 175.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.6 mm -92.92 -38.9 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 118.051 0.387 . . . . 77.79 110.951 175.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.22 -36.97 71.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 CA-C-O 121.14 0.495 . . . . 73.65 110.552 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.89 -12.73 62.84 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-O 118.837 -0.98 . . . . 71.82 114.725 173.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.35 -12.04 15.42 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 118.625 1.212 . . . . 71.37 113.438 176.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.5 mt -87.33 -20.79 26.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.975 0.807 . . . . 71.9 112.895 173.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.36 -11.63 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 C-N-CA 119.649 -0.82 . . . . 72.36 112.347 174.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -70.02 -42.58 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 C-N-CA 119.598 -0.841 . . . . 72.94 109.867 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 pp -87.35 7.17 30.04 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.682 -0.807 . . . . 74.56 112.555 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.63 -41.74 9.14 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 118.955 -1.098 . . . . 75.18 111.193 166.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.25 -47.91 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-O 121.064 0.459 . . . . 75.8 110.501 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.11 -13.06 62.03 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 119.854 -0.738 . . . . 74.51 112.78 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.59 -30.29 64.43 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 119.787 -1.197 . . . . 77.02 113.058 176.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -117.55 1.65 12.3 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 113.416 0.895 . . . . 77.4 113.416 -172.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 pp -93.22 -4.53 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.498 0 C-N-CA 118.1 -1.44 . . . . 75.13 109.992 160.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -76.19 -29.44 57.65 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 118.775 -1.17 . . . . 77.51 110.429 163.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m -73.73 -24.28 59.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.089 0.403 . . . . 78.74 112.089 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.3 tpp -72.71 -39.26 67.12 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.907 -0.717 . . . . 80.09 110.994 175.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.86 -31.05 67.62 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 119.923 -0.711 . . . . 76.48 112.054 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -75.66 -35.77 60.3 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.491 -0.884 . . . . 81.59 111.898 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -75.22 -25.77 58.41 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.871 -0.331 . . . . 82.71 111.553 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 111.849 0.314 . . . . 88.5 111.849 178.364 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' z' z ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.517 -0.283 0 O4'-C4'-C3' 106.027 0.427 . . . . 211.93 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' z' z ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.6 -0.598 0 O3'-P-O5' 103.008 -0.522 . . . . 214.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' z' z ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.6 -0.57 0 O3'-P-O5' 103.002 -0.525 . . . . 213.45 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' z' z ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.6 -0.606 0 O3'-P-O5' 103.039 -0.506 . . . . 214.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' z' z ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.6 -0.576 0 O3'-P-O5' 103.017 -0.517 . . . . 215.2 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' z' z ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.599 -0.635 0 O3'-P-O5' 103.043 -0.503 . . . . 214.4 . . . . . . . . . . 0 0 . 1 stop_ save_