data_6l1c_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 6l1c _Structure_validation_residue.Date_analyzed 2020-09-25 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 ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 118.705 -0.664 . . . . 31.93 109.989 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -81.68 -11.71 58.96 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.946 2.098 . . . . 29.45 111.22 -175.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.4 mmm -106.31 150.32 39.3 Favored Pre-proline 0 N--CA 1.487 1.379 0 C-N-CA 124.118 0.967 . . . . 29.7 108.81 179.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.02 156.66 28.03 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.702 1.601 . . . . 19.25 110.395 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -70.9 154.34 63.26 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.451 1.434 . . . . 20.79 110.798 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -71.29 103.45 2.85 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.596 -1.261 . . . . 27.61 107.596 167.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -123.32 93.39 47.99 Favored Pre-proline 0 N--CA 1.482 1.151 0 N-CA-C 106.995 -1.483 . . . . 19.71 106.995 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -55.73 132.31 51.34 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.59 1.526 . . . . 21.71 110.234 -170.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.89 -7.57 78.97 Favored Glycine 0 N--CA 1.475 1.277 0 CA-C-O 117.562 -1.688 . . . . 20.45 112.47 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.5 mt -108.75 118.9 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 CA-C-N 118.397 1.098 . . . . 18.88 108.27 170.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.4 m -94.74 119.98 34.22 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.245 1.418 . . . . 18.48 107.979 170.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.03 72.3 6.4 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 124.64 1.213 . . . . 18.79 108.724 -176.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -140.32 150.76 44.4 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.246 1.018 . . . . 27.77 108.792 177.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.6 mm -56.93 126.35 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 124.486 1.116 . . . . 19.01 108.106 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.07 -5.69 82.99 Favored Glycine 0 N--CA 1.476 1.312 0 CA-C-O 117.784 -1.565 . . . . 16.93 112.986 175.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.05 149.68 49.37 Favored 'General case' 0 C--O 1.254 1.291 0 CA-C-N 118.269 1.035 . . . . 15.45 108.238 171.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -108.3 149.26 28.88 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 125.218 1.574 . . . . 14.63 108.509 -176.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 pp -154.59 -178.27 7.06 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 125.535 1.772 . . . . 14.6 107.19 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -104.36 138.63 40.49 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 107.593 -1.262 . . . . 22.67 107.593 169.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.01 140.41 50.89 Favored 'General case' 0 C--O 1.247 0.97 0 O-C-N 124.611 1.195 . . . . 13.11 109.542 -177.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.2 tp -89.1 121.02 31.02 Favored 'General case' 0 C--O 1.253 1.247 0 O-C-N 125.127 1.517 . . . . 13.17 108.319 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -80.82 -177.43 6.35 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 108.799 -0.815 . . . . 13.68 108.799 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -78.61 -2.46 39.1 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 117.805 -1.093 . . . . 16.57 110.481 -173.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.0 mt -111.95 17.87 19.32 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.366 1.067 . . . . 19.97 109.258 174.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 61.01 39.1 16.81 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 126.617 1.967 . . . . 26.73 110.554 171.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -113.41 136.97 52.2 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.768 1.227 . . . . 19.64 108.785 172.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -86.63 133.68 33.68 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.414 1.071 . . . . 15.66 109.667 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -135.27 141.54 38.21 Favored Pre-proline 0 N--CA 1.484 1.257 0 C-N-CA 124.313 1.045 . . . . 15.74 110.302 174.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -54.25 133.79 57.53 Favored 'Trans proline' 0 C--N 1.352 0.734 0 N-CA-C 107.416 -1.802 . . . . 12.66 107.416 165.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.6 m -141.2 163.25 33.46 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.961 0.788 . . . . 13.7 110.089 -172.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . 0.468 ' NE ' ' OE2' ' A' ' 34' ' ' GLU . 16.1 ttp-105 -125.82 140.58 52.55 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 125.271 1.607 . . . . 14.4 109.299 -177.646 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.4 mt -77.25 118.06 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 125.135 1.522 . . . . 14.53 108.065 172.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . 0.468 ' OE2' ' NE ' ' A' ' 32' ' ' ARG . 14.3 mm-40 -92.39 -40.46 10.87 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.414 1.086 . . . . 21.4 109.632 -178.731 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -148.73 152.64 36.96 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.086 1.354 . . . . 21.52 109.018 -174.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -127.33 121.41 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 124.324 1.015 . . . . 14.91 108.776 172.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -97.8 104.05 16.04 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 125.041 1.463 . . . . 17.33 108.123 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -78.39 -21.39 49.42 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.416 1.086 . . . . 17.3 110.465 -175.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -74.74 -50.25 18.11 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 118.125 -0.94 . . . . 18.12 108.861 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -84.83 -16.67 40.56 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 124.686 1.241 . . . . 27.09 110.504 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.17 47.68 78.47 Favored Glycine 0 N--CA 1.475 1.258 0 N-CA-C 110.718 -0.953 . . . . 15.83 110.718 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -141.87 157.2 45.28 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 108.85 -0.796 . . . . 22.51 108.85 -179.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.2 mtm -126.49 143.7 51.11 Favored 'General case' 0 C--O 1.253 1.26 0 O-C-N 124.804 1.315 . . . . 21.26 108.778 -178.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.3 tp -81.46 114.07 19.95 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 124.908 1.38 . . . . 14.31 107.487 171.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -104.66 129.19 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 124.766 1.291 . . . . 12.22 108.334 -176.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -101.8 123.55 45.94 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 125.307 1.629 . . . . 12.04 108.988 170.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -81.14 115.87 20.77 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.762 -1.199 . . . . 11.2 107.762 175.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.0 137.12 58.25 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 118.298 -0.858 . . . . 13.34 109.173 -172.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 70.8 15.95 6.77 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 127.107 2.163 . . . . 20.69 110.131 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -111.92 155.55 23.51 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.869 1.268 . . . . 13.2 109.211 169.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 t -54.68 144.57 21.58 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 124.778 1.298 . . . . 12.82 109.657 170.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -65.48 -10.9 38.38 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 117.853 -1.07 . . . . 15.67 110.159 174.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ptt-85 -68.16 -16.78 64.14 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 117.495 -1.24 . . . . 14.51 109.393 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -96.25 2.64 53.1 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 117.706 -1.14 . . . . 13.13 111.424 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -61.73 143.91 55.48 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.418 -0.956 . . . . 13.87 108.418 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -142.72 137.02 29.53 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 124.489 1.118 . . . . 16.0 110.671 -171.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -73.17 116.78 14.12 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 125.182 1.551 . . . . 15.13 108.835 162.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.8 mt -121.62 133.58 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 N-CA-C 107.453 -1.314 . . . . 12.53 107.453 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -56.1 139.26 47.75 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 124.361 1.038 . . . . 23.5 109.292 173.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -8.24 54.98 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 117.856 -1.069 . . . . 14.24 111.057 -173.488 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -103.75 9.24 37.17 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.834 -1.079 . . . . 17.66 110.424 175.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.5 t -66.48 145.1 56.02 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.204 1.002 . . . . 13.28 110.542 -174.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -74.63 -1.37 21.37 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 117.803 -1.094 . . . . 13.36 109.334 170.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -84.43 -2.23 56.87 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 117.27 -1.348 . . . . 14.51 110.735 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 48.0 mt -117.77 137.05 52.98 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 118.899 0.772 . . . . 14.72 109.771 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -148.46 162.54 29.85 Favored Pre-proline 0 N--CA 1.484 1.25 0 O-C-N 124.545 1.153 . . . . 25.0 109.088 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.47 143.25 97.25 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 121.603 1.535 . . . . 19.73 112.193 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 tp -87.83 122.97 32.12 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.462 -1.311 . . . . 29.4 107.462 166.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 124.44 1.087 . . . . 41.27 109.302 -175.028 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 118.705 -0.664 . . . . 31.93 109.989 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -81.68 -11.71 58.96 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.946 2.098 . . . . 29.45 111.22 -175.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.4 mmm -106.31 150.32 39.3 Favored Pre-proline 0 N--CA 1.487 1.379 0 C-N-CA 124.118 0.967 . . . . 29.7 108.81 179.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.02 156.66 28.03 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.702 1.601 . . . . 19.25 110.395 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -70.9 154.34 63.26 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.451 1.434 . . . . 20.79 110.798 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -71.29 103.45 2.85 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.596 -1.261 . . . . 27.61 107.596 167.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -123.32 93.39 47.99 Favored Pre-proline 0 N--CA 1.482 1.151 0 N-CA-C 106.995 -1.483 . . . . 19.71 106.995 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -55.73 132.31 51.34 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.59 1.526 . . . . 21.71 110.234 -170.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.89 -7.57 78.97 Favored Glycine 0 N--CA 1.475 1.277 0 CA-C-O 117.562 -1.688 . . . . 20.45 112.47 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.5 mt -108.75 118.9 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 CA-C-N 118.397 1.098 . . . . 18.88 108.27 170.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.4 m -94.74 119.98 34.22 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.245 1.418 . . . . 18.48 107.979 170.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.03 72.3 6.4 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 124.64 1.213 . . . . 18.79 108.724 -176.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 24.7 pt-20 -140.32 150.76 44.4 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.246 1.018 . . . . 27.77 108.792 177.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.6 mm -56.93 126.35 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 124.486 1.116 . . . . 19.01 108.106 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . 0.535 ' HA2' ' CZ ' ' A' ' 32' ' ' ARG . . . 90.07 -5.69 82.99 Favored Glycine 0 N--CA 1.476 1.312 0 CA-C-O 117.784 -1.565 . . . . 16.93 112.986 175.29 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB2' ' HG2' ' A' ' 14' ' ' GLU . . . -68.05 149.68 49.37 Favored 'General case' 0 C--O 1.254 1.291 0 CA-C-N 118.269 1.035 . . . . 15.45 108.238 171.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -108.3 149.26 28.88 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 125.218 1.574 . . . . 14.63 108.509 -176.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 pp -154.59 -178.27 7.06 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 125.535 1.772 . . . . 14.6 107.19 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -104.36 138.63 40.49 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 107.593 -1.262 . . . . 22.67 107.593 169.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.01 140.41 50.89 Favored 'General case' 0 C--O 1.247 0.97 0 O-C-N 124.611 1.195 . . . . 13.11 109.542 -177.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.2 tp -89.1 121.02 31.02 Favored 'General case' 0 C--O 1.253 1.247 0 O-C-N 125.127 1.517 . . . . 13.17 108.319 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -80.82 -177.43 6.35 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 108.799 -0.815 . . . . 13.68 108.799 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -78.61 -2.46 39.1 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 117.805 -1.093 . . . . 16.57 110.481 -173.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.0 mt -111.95 17.87 19.32 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.366 1.067 . . . . 19.97 109.258 174.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 61.01 39.1 16.81 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 126.617 1.967 . . . . 26.73 110.554 171.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -113.41 136.97 52.2 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.768 1.227 . . . . 19.64 108.785 172.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -86.63 133.68 33.68 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.414 1.071 . . . . 15.66 109.667 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -135.27 141.54 38.21 Favored Pre-proline 0 N--CA 1.484 1.257 0 C-N-CA 124.313 1.045 . . . . 15.74 110.302 174.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -54.25 133.79 57.53 Favored 'Trans proline' 0 C--N 1.352 0.734 0 N-CA-C 107.416 -1.802 . . . . 12.66 107.416 165.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.6 m -141.2 163.25 33.46 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.961 0.788 . . . . 13.7 110.089 -172.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . 0.535 ' CZ ' ' HA2' ' A' ' 16' ' ' GLY . 16.1 ttp-105 -125.82 140.58 52.55 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 125.271 1.607 . . . . 16.84 109.299 -177.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.4 mt -77.25 118.06 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 125.135 1.522 . . . . 14.53 108.065 172.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' OE2' ' NE ' ' A' ' 32' ' ' ARG . 14.3 mm-40 -92.39 -40.46 10.87 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.414 1.086 . . . . 21.4 109.632 -178.731 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -148.73 152.64 36.96 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.086 1.354 . . . . 21.52 109.018 -174.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -127.33 121.41 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 124.324 1.015 . . . . 14.91 108.776 172.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -97.8 104.05 16.04 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 125.041 1.463 . . . . 17.33 108.123 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -78.39 -21.39 49.42 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.416 1.086 . . . . 17.3 110.465 -175.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -74.74 -50.25 18.11 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 118.125 -0.94 . . . . 18.12 108.861 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -84.83 -16.67 40.56 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 124.686 1.241 . . . . 27.09 110.504 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.17 47.68 78.47 Favored Glycine 0 N--CA 1.475 1.258 0 N-CA-C 110.718 -0.953 . . . . 15.83 110.718 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -141.87 157.2 45.28 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 108.85 -0.796 . . . . 22.51 108.85 -179.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.2 mtm -126.49 143.7 51.11 Favored 'General case' 0 C--O 1.253 1.26 0 O-C-N 124.804 1.315 . . . . 21.26 108.778 -178.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.3 tp -81.46 114.07 19.95 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 124.908 1.38 . . . . 14.31 107.487 171.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -104.66 129.19 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 124.766 1.291 . . . . 12.22 108.334 -176.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -101.8 123.55 45.94 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 125.307 1.629 . . . . 12.04 108.988 170.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -81.14 115.87 20.77 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.762 -1.199 . . . . 11.2 107.762 175.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.0 137.12 58.25 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 118.298 -0.858 . . . . 13.34 109.173 -172.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 70.8 15.95 6.77 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 127.107 2.163 . . . . 20.69 110.131 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -111.92 155.55 23.51 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.869 1.268 . . . . 13.2 109.211 169.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 t -54.68 144.57 21.58 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 124.778 1.298 . . . . 12.82 109.657 170.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -65.48 -10.9 38.38 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 117.853 -1.07 . . . . 15.67 110.159 174.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ptt-85 -68.16 -16.78 64.14 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 117.495 -1.24 . . . . 14.51 109.393 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -96.25 2.64 53.1 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 117.706 -1.14 . . . . 13.13 111.424 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -61.73 143.91 55.48 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.418 -0.956 . . . . 13.87 108.418 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -142.72 137.02 29.53 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 124.489 1.118 . . . . 16.0 110.671 -171.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -73.17 116.78 14.12 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 125.182 1.551 . . . . 15.13 108.835 162.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.8 mt -121.62 133.58 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 N-CA-C 107.453 -1.314 . . . . 12.53 107.453 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -56.1 139.26 47.75 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 124.361 1.038 . . . . 23.5 109.292 173.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -8.24 54.98 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 117.856 -1.069 . . . . 14.24 111.057 -173.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -103.75 9.24 37.17 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.834 -1.079 . . . . 17.66 110.424 175.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.5 t -66.48 145.1 56.02 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.204 1.002 . . . . 13.28 110.542 -174.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -74.63 -1.37 21.37 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 117.803 -1.094 . . . . 13.36 109.334 170.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -84.43 -2.23 56.87 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 117.27 -1.348 . . . . 14.51 110.735 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 48.0 mt -117.77 137.05 52.98 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 118.899 0.772 . . . . 14.72 109.771 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -148.46 162.54 29.85 Favored Pre-proline 0 N--CA 1.484 1.25 0 O-C-N 124.545 1.153 . . . . 25.0 109.088 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.47 143.25 97.25 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 121.603 1.535 . . . . 19.73 112.193 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 tp -87.83 122.97 32.12 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.462 -1.311 . . . . 29.4 107.462 166.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 124.44 1.087 . . . . 41.27 109.302 -175.028 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 118.705 -0.664 . . . . 31.93 109.989 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -81.68 -11.71 58.96 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.946 2.098 . . . . 29.45 111.22 -175.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.4 mmm -106.31 150.32 39.3 Favored Pre-proline 0 N--CA 1.487 1.379 0 C-N-CA 124.118 0.967 . . . . 29.7 108.81 179.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.02 156.66 28.03 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.702 1.601 . . . . 19.25 110.395 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -70.9 154.34 63.26 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.451 1.434 . . . . 20.79 110.798 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -71.29 103.45 2.85 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.596 -1.261 . . . . 27.61 107.596 167.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -123.32 93.39 47.99 Favored Pre-proline 0 N--CA 1.482 1.151 0 N-CA-C 106.995 -1.483 . . . . 19.71 106.995 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -55.73 132.31 51.34 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.59 1.526 . . . . 21.71 110.234 -170.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.89 -7.57 78.97 Favored Glycine 0 N--CA 1.475 1.277 0 CA-C-O 117.562 -1.688 . . . . 20.45 112.47 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.5 mt -108.75 118.9 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 CA-C-N 118.397 1.098 . . . . 18.88 108.27 170.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.4 m -94.74 119.98 34.22 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.245 1.418 . . . . 18.48 107.979 170.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.03 72.3 6.4 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 124.64 1.213 . . . . 18.79 108.724 -176.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HG2' ' HB2' ' A' ' 17' ' ' ALA . 24.7 pt-20 -140.32 150.76 44.4 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.246 1.018 . . . . 27.77 108.792 177.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.6 mm -56.93 126.35 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 124.486 1.116 . . . . 19.01 108.106 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.535 ' HA2' ' CZ ' ' A' ' 32' ' ' ARG . . . 90.07 -5.69 82.99 Favored Glycine 0 N--CA 1.476 1.312 0 CA-C-O 117.784 -1.565 . . . . 16.93 112.986 175.29 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB2' ' HG2' ' A' ' 14' ' ' GLU . . . -68.05 149.68 49.37 Favored 'General case' 0 C--O 1.254 1.291 0 CA-C-N 118.269 1.035 . . . . 15.45 108.238 171.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -108.3 149.26 28.88 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 125.218 1.574 . . . . 14.63 108.509 -176.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 pp -154.59 -178.27 7.06 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 125.535 1.772 . . . . 14.6 107.19 175.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -104.36 138.63 40.49 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 107.593 -1.262 . . . . 22.67 107.593 169.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.01 140.41 50.89 Favored 'General case' 0 C--O 1.247 0.97 0 O-C-N 124.611 1.195 . . . . 13.11 109.542 -177.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.2 tp -89.1 121.02 31.02 Favored 'General case' 0 C--O 1.253 1.247 0 O-C-N 125.127 1.517 . . . . 13.17 108.319 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -80.82 -177.43 6.35 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 108.799 -0.815 . . . . 13.68 108.799 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -78.61 -2.46 39.1 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 117.805 -1.093 . . . . 16.57 110.481 -173.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.0 mt -111.95 17.87 19.32 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.366 1.067 . . . . 19.97 109.258 174.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 61.01 39.1 16.81 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 126.617 1.967 . . . . 26.73 110.554 171.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -113.41 136.97 52.2 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.768 1.227 . . . . 19.64 108.785 172.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -86.63 133.68 33.68 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.414 1.071 . . . . 15.66 109.667 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -135.27 141.54 38.21 Favored Pre-proline 0 N--CA 1.484 1.257 0 C-N-CA 124.313 1.045 . . . . 15.74 110.302 174.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -54.25 133.79 57.53 Favored 'Trans proline' 0 C--N 1.352 0.734 0 N-CA-C 107.416 -1.802 . . . . 12.66 107.416 165.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.6 m -141.2 163.25 33.46 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.961 0.788 . . . . 13.7 110.089 -172.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.535 ' CZ ' ' HA2' ' A' ' 16' ' ' GLY . 16.1 ttp-105 -125.82 140.58 52.55 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 125.271 1.607 . . . . 16.84 109.299 -177.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.4 mt -77.25 118.06 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 125.135 1.522 . . . . 14.53 108.065 172.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' OE2' ' NE ' ' A' ' 32' ' ' ARG . 14.3 mm-40 -92.39 -40.46 10.87 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.414 1.086 . . . . 21.4 109.632 -178.731 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -148.73 152.64 36.96 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.086 1.354 . . . . 21.52 109.018 -174.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -127.33 121.41 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 124.324 1.015 . . . . 14.91 108.776 172.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -97.8 104.05 16.04 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 125.041 1.463 . . . . 17.33 108.123 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -78.39 -21.39 49.42 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.416 1.086 . . . . 17.3 110.465 -175.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -74.74 -50.25 18.11 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 118.125 -0.94 . . . . 18.12 108.861 179.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -84.83 -16.67 40.56 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 124.686 1.241 . . . . 27.09 110.504 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.17 47.68 78.47 Favored Glycine 0 N--CA 1.475 1.258 0 N-CA-C 110.718 -0.953 . . . . 15.83 110.718 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -141.87 157.2 45.28 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 108.85 -0.796 . . . . 22.51 108.85 -179.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.2 mtm -126.49 143.7 51.11 Favored 'General case' 0 C--O 1.253 1.26 0 O-C-N 124.804 1.315 . . . . 21.26 108.778 -178.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.3 tp -81.46 114.07 19.95 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 124.908 1.38 . . . . 14.31 107.487 171.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -104.66 129.19 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 124.766 1.291 . . . . 12.22 108.334 -176.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -101.8 123.55 45.94 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 125.307 1.629 . . . . 12.04 108.988 170.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -81.14 115.87 20.77 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.762 -1.199 . . . . 11.2 107.762 175.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.0 137.12 58.25 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 118.298 -0.858 . . . . 13.34 109.173 -172.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 70.8 15.95 6.77 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 127.107 2.163 . . . . 20.69 110.131 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -111.92 155.55 23.51 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.869 1.268 . . . . 13.2 109.211 169.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 t -54.68 144.57 21.58 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 124.778 1.298 . . . . 12.82 109.657 170.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -65.48 -10.9 38.38 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 117.853 -1.07 . . . . 15.67 110.159 174.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ptt-85 -68.16 -16.78 64.14 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 117.495 -1.24 . . . . 14.51 109.393 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -96.25 2.64 53.1 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 117.706 -1.14 . . . . 13.13 111.424 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -61.73 143.91 55.48 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.418 -0.956 . . . . 13.87 108.418 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -142.72 137.02 29.53 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 124.489 1.118 . . . . 16.0 110.671 -171.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -73.17 116.78 14.12 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 125.182 1.551 . . . . 15.13 108.835 162.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.8 mt -121.62 133.58 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 N-CA-C 107.453 -1.314 . . . . 12.53 107.453 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -56.1 139.26 47.75 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 124.361 1.038 . . . . 23.5 109.292 173.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -8.24 54.98 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 117.856 -1.069 . . . . 14.24 111.057 -173.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -103.75 9.24 37.17 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.834 -1.079 . . . . 17.66 110.424 175.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.5 t -66.48 145.1 56.02 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.204 1.002 . . . . 13.28 110.542 -174.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -74.63 -1.37 21.37 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 117.803 -1.094 . . . . 13.36 109.334 170.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -84.43 -2.23 56.87 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 117.27 -1.348 . . . . 14.51 110.735 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 48.0 mt -117.77 137.05 52.98 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 118.899 0.772 . . . . 14.72 109.771 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -148.46 162.54 29.85 Favored Pre-proline 0 N--CA 1.484 1.25 0 O-C-N 124.545 1.153 . . . . 25.0 109.088 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.47 143.25 97.25 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 121.603 1.535 . . . . 19.73 112.193 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 tp -87.83 122.97 32.12 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.462 -1.311 . . . . 29.4 107.462 166.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 124.44 1.087 . . . . 41.27 109.302 -175.028 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_