data_1ifk_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1ifk _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.522 3.168 0 N-CA-C 115.012 1.486 . . . . 10.0 115.012 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.429 35.3 m-20 -72.14 -31.6 66.14 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 118.325 2.713 . . . . 10.0 118.325 170.771 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -57.16 -42.82 81.78 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 116.417 2.006 . . . . 10.0 116.417 160.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.34 -46.92 56.04 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 118.648 2.833 . . . . 10.0 118.648 162.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.524 84.0 m -65.55 -26.47 67.89 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 117.82 2.526 . . . . 10.0 117.82 168.255 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -62.4 -45.56 92.58 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 117.332 2.345 . . . . 10.0 117.332 164.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -58.83 -50.31 74.45 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 117.003 2.223 . . . . 10.0 117.003 168.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.1 -39.63 75.42 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 119.27 3.063 . . . . 10.0 119.27 167.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.92 -52.25 66.22 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.99 2.219 . . . . 10.0 116.99 172.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.276 . . -58.33 -42.3 86.52 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 118.848 2.907 . . . . 10.0 118.848 172.087 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.289 . . -64.08 -36.0 82.59 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 119.651 3.204 . . . . 10.0 119.651 166.607 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . 0.269 28.5 m-85 -65.58 -32.98 74.87 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 117.946 2.573 . . . . 10.0 117.946 165.804 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -63.99 -43.77 94.68 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 116.745 2.128 . . . . 10.0 116.745 165.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.3 m -60.11 -40.24 88.99 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 117.72 2.489 . . . . 10.0 117.72 165.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.4 mt -65.76 -37.4 86.23 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 117.597 2.443 . . . . 10.0 117.597 171.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.312 6.0 m -70.95 -38.66 72.86 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.754 1.761 . . . . 10.0 115.754 171.246 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.07 78.66 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 118.767 2.877 . . . . 10.0 118.767 162.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -55.67 -43.19 76.09 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.746 2.128 . . . . 10.0 116.746 160.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.6 -36.49 76.39 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 119.323 3.083 . . . . 10.0 119.323 166.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.279 3.3 m -70.2 -33.8 72.15 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 116.272 1.953 . . . . 10.0 116.272 167.748 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.42 -51.77 57.97 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.258 1.577 . . . . 10.0 115.258 171.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.5 mtt -61.28 -48.01 83.37 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 116.287 1.958 . . . . 10.0 116.287 169.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.9 m -53.35 -33.26 52.88 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 118.973 2.953 . . . . 10.0 118.973 165.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.44 -45.47 94.37 Favored Glycine 0 N--CA 1.475 1.299 0 N-CA-C 117.681 1.832 . . . . 10.0 117.681 165.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -57.76 -30.26 65.47 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 118.65 2.833 . . . . 10.0 118.65 160.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . 0.254 . . -68.84 -39.19 80.07 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 117.538 2.422 . . . . 10.0 117.538 169.015 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . 0.391 1.0 OUTLIER -59.6 -45.23 92.54 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 116.408 2.003 . . . . 10.0 116.408 163.551 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . 0.269 . . -65.67 -38.13 88.44 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 120.267 3.432 . . . . 10.0 120.267 171.064 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . 0.253 5.6 tt -61.44 -45.59 93.64 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.309 1.966 . . . . 10.0 116.309 167.836 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.52 2.4 t -69.32 -21.37 24.94 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 N-CA-C 116.824 2.157 . . . . 10.0 116.824 166.518 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 t -52.68 -53.67 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 114.414 1.265 . . . . 10.0 114.414 158.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . 0.319 21.5 mt -71.11 -34.17 70.83 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 118.439 2.755 . . . . 10.0 118.439 177.787 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . 0.316 55.8 t -64.79 -42.73 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 166.38 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . 0.374 42.4 t -65.66 -32.83 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 116.263 1.949 . . . . 10.0 116.263 169.322 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.11 -41.91 96.8 Favored Glycine 0 N--CA 1.474 1.23 0 N-CA-C 118.049 1.979 . . . . 10.0 118.049 162.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.283 . . -56.51 -45.16 81.23 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 118.748 2.87 . . . . 10.0 118.748 162.757 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.361 1.2 m -68.73 -37.65 79.61 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 117.232 2.308 . . . . 10.0 117.232 173.828 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . 0.379 62.3 t -66.86 -46.76 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 114.765 1.395 . . . . 10.0 114.765 171.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.35 -60.39 9.1 Favored Glycine 0 N--CA 1.474 1.191 0 N-CA-C 117.236 1.654 . . . . 10.0 117.236 169.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.304 21.4 mt -53.32 -46.13 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 N-CA-C 116.804 2.15 . . . . 10.0 116.804 172.417 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . 0.504 70.1 mmtt -66.76 -31.23 71.74 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 118.66 2.837 . . . . 10.0 118.66 174.356 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.3 78.8 mt -64.08 -34.98 79.27 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 118.443 2.757 . . . . 10.0 118.443 158.342 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -53.36 -50.42 65.11 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.49 2.033 . . . . 10.0 116.49 161.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -60.29 -32.8 71.54 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 118.483 2.772 . . . . 10.0 118.483 166.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.262 73.0 mmtt -58.59 -47.94 82.62 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 116.104 1.89 . . . . 10.0 116.104 166.461 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -56.7 -36.44 69.66 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 117.658 2.466 . . . . 10.0 117.658 165.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . 0.321 17.6 t -52.41 -58.71 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 114.29 1.218 . . . . 10.0 114.29 167.382 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.9 m -63.24 -30.94 71.98 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 119.451 3.13 . . . . 10.0 119.451 170.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . 0.267 35.1 mmt-85 -66.54 -49.1 67.57 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.33 1.974 . . . . 10.0 116.33 174.839 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.9 -19.45 65.88 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 119.71 3.226 . . . . 10.0 119.71 162.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.793 -1.099 . . . . 10.0 112.68 173.026 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 4' ' ' ALA . . . . . . . . 0 N--CA 1.522 3.168 0 N-CA-C 115.012 1.486 . . . . 10.0 115.012 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.429 35.3 m-20 -72.14 -31.6 66.14 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 118.325 2.713 . . . . 10.0 118.325 170.771 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -57.16 -42.82 81.78 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 116.417 2.006 . . . . 10.0 116.417 160.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 1' ' ' ALA . . . -50.34 -46.92 56.04 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 118.648 2.833 . . . . 10.0 118.648 162.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.524 84.0 m -65.55 -26.47 67.89 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 117.82 2.526 . . . . 10.0 117.82 168.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -62.4 -45.56 92.58 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 117.332 2.345 . . . . 10.0 117.332 164.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -58.83 -50.31 74.45 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 117.003 2.223 . . . . 10.0 117.003 168.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.1 -39.63 75.42 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 119.27 3.063 . . . . 10.0 119.27 167.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.92 -52.25 66.22 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.99 2.219 . . . . 10.0 116.99 172.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.276 . . -58.33 -42.3 86.52 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 118.848 2.907 . . . . 10.0 118.848 172.087 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.289 . . -64.08 -36.0 82.59 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 119.651 3.204 . . . . 10.0 119.651 166.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . 0.269 28.5 m-85 -65.58 -32.98 74.87 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 117.946 2.573 . . . . 10.0 117.946 165.804 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -63.99 -43.77 94.68 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 116.745 2.128 . . . . 10.0 116.745 165.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.3 m -60.11 -40.24 88.99 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 117.72 2.489 . . . . 10.0 117.72 165.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.4 mt -65.76 -37.4 86.23 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 117.597 2.443 . . . . 10.0 117.597 171.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.312 6.0 m -70.95 -38.66 72.86 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.754 1.761 . . . . 10.0 115.754 171.246 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.07 78.66 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 118.767 2.877 . . . . 10.0 118.767 162.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -55.67 -43.19 76.09 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.746 2.128 . . . . 10.0 116.746 160.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.6 -36.49 76.39 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 119.323 3.083 . . . . 10.0 119.323 166.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.279 3.3 m -70.2 -33.8 72.15 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 116.272 1.953 . . . . 10.0 116.272 167.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.42 -51.77 57.97 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.258 1.577 . . . . 10.0 115.258 171.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.5 mtt -61.28 -48.01 83.37 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 116.287 1.958 . . . . 10.0 116.287 169.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.9 m -53.35 -33.26 52.88 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 118.973 2.953 . . . . 10.0 118.973 165.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.44 -45.47 94.37 Favored Glycine 0 N--CA 1.475 1.299 0 N-CA-C 117.681 1.832 . . . . 10.0 117.681 165.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -57.76 -30.26 65.47 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 118.65 2.833 . . . . 10.0 118.65 160.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . 0.254 . . -68.84 -39.19 80.07 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 117.538 2.422 . . . . 10.0 117.538 169.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TRP . . . . . 0.593 ' O ' HG23 ' A' ' 31' ' ' VAL 0.391 1.0 OUTLIER -59.6 -45.23 92.54 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 116.408 2.003 . . . . 10.0 116.408 163.551 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . 0.269 . . -65.67 -38.13 88.44 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 120.267 3.432 . . . . 10.0 120.267 171.064 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . 0.253 5.6 tt -61.44 -45.59 93.64 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.309 1.966 . . . . 10.0 116.309 167.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.52 2.4 t -69.32 -21.37 24.94 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 N-CA-C 116.824 2.157 . . . . 10.0 116.824 166.518 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 27' ' ' TRP . 33.9 t -52.68 -53.67 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 114.414 1.265 . . . . 10.0 114.414 158.154 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . 0.319 21.5 mt -71.11 -34.17 70.83 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 118.439 2.755 . . . . 10.0 118.439 177.787 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . 0.316 55.8 t -64.79 -42.73 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 166.38 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . 0.374 42.4 t -65.66 -32.83 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 116.263 1.949 . . . . 10.0 116.263 169.322 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.11 -41.91 96.8 Favored Glycine 0 N--CA 1.474 1.23 0 N-CA-C 118.049 1.979 . . . . 10.0 118.049 162.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.283 . . -56.51 -45.16 81.23 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 118.748 2.87 . . . . 10.0 118.748 162.757 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.361 1.2 m -68.73 -37.65 79.61 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 117.232 2.308 . . . . 10.0 117.232 173.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . 0.379 62.3 t -66.86 -46.76 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 114.765 1.395 . . . . 10.0 114.765 171.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.35 -60.39 9.1 Favored Glycine 0 N--CA 1.474 1.191 0 N-CA-C 117.236 1.654 . . . . 10.0 117.236 169.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.304 21.4 mt -53.32 -46.13 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 N-CA-C 116.804 2.15 . . . . 10.0 116.804 172.417 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 45' ' ' LYS 0.504 70.1 mmtt -66.76 -31.23 71.74 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 118.66 2.837 . . . . 10.0 118.66 174.356 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.3 78.8 mt -64.08 -34.98 79.27 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 118.443 2.757 . . . . 10.0 118.443 158.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -53.36 -50.42 65.11 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.49 2.033 . . . . 10.0 116.49 161.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -60.29 -32.8 71.54 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 118.483 2.772 . . . . 10.0 118.483 166.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 49' ' ' ARG 0.262 73.0 mmtt -58.59 -47.94 82.62 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 116.104 1.89 . . . . 10.0 116.104 166.461 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -56.7 -36.44 69.66 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 117.658 2.466 . . . . 10.0 117.658 165.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . 0.321 17.6 t -52.41 -58.71 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 114.29 1.218 . . . . 10.0 114.29 167.382 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.9 m -63.24 -30.94 71.98 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 119.451 3.13 . . . . 10.0 119.451 170.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 45' ' ' LYS 0.267 35.1 mmt-85 -66.54 -49.1 67.57 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.33 1.974 . . . . 10.0 116.33 174.839 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.9 -19.45 65.88 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 119.71 3.226 . . . . 10.0 119.71 162.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.793 -1.099 . . . . 10.0 112.68 173.026 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 4' ' ' ALA . . . . . . . . 0 N--CA 1.522 3.168 0 N-CA-C 115.012 1.486 . . . . 10.0 115.012 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.429 35.3 m-20 -72.14 -31.6 66.14 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 118.325 2.713 . . . . 10.0 118.325 170.771 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -57.16 -42.82 81.78 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 116.417 2.006 . . . . 10.0 116.417 160.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 1' ' ' ALA . . . -50.34 -46.92 56.04 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 118.648 2.833 . . . . 10.0 118.648 162.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.524 84.0 m -65.55 -26.47 67.89 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 117.82 2.526 . . . . 10.0 117.82 168.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -62.4 -45.56 92.58 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 117.332 2.345 . . . . 10.0 117.332 164.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -58.83 -50.31 74.45 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 117.003 2.223 . . . . 10.0 117.003 168.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.1 -39.63 75.42 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 119.27 3.063 . . . . 10.0 119.27 167.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.92 -52.25 66.22 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 116.99 2.219 . . . . 10.0 116.99 172.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.276 . . -58.33 -42.3 86.52 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 118.848 2.907 . . . . 10.0 118.848 172.087 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.289 . . -64.08 -36.0 82.59 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 119.651 3.204 . . . . 10.0 119.651 166.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . 0.269 28.5 m-85 -65.58 -32.98 74.87 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 117.946 2.573 . . . . 10.0 117.946 165.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -63.99 -43.77 94.68 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 116.745 2.128 . . . . 10.0 116.745 165.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.3 m -60.11 -40.24 88.99 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 117.72 2.489 . . . . 10.0 117.72 165.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.4 mt -65.76 -37.4 86.23 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 117.597 2.443 . . . . 10.0 117.597 171.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.312 6.0 m -70.95 -38.66 72.86 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.754 1.761 . . . . 10.0 115.754 171.246 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.07 78.66 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 118.767 2.877 . . . . 10.0 118.767 162.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -55.67 -43.19 76.09 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.746 2.128 . . . . 10.0 116.746 160.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.6 -36.49 76.39 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 119.323 3.083 . . . . 10.0 119.323 166.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.279 3.3 m -70.2 -33.8 72.15 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 116.272 1.953 . . . . 10.0 116.272 167.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.42 -51.77 57.97 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.258 1.577 . . . . 10.0 115.258 171.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.5 mtt -61.28 -48.01 83.37 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 116.287 1.958 . . . . 10.0 116.287 169.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.9 m -53.35 -33.26 52.88 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 118.973 2.953 . . . . 10.0 118.973 165.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.44 -45.47 94.37 Favored Glycine 0 N--CA 1.475 1.299 0 N-CA-C 117.681 1.832 . . . . 10.0 117.681 165.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -57.76 -30.26 65.47 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 118.65 2.833 . . . . 10.0 118.65 160.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . 0.254 . . -68.84 -39.19 80.07 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 117.538 2.422 . . . . 10.0 117.538 169.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.593 ' O ' HG23 ' A' ' 31' ' ' VAL 0.391 1.0 OUTLIER -59.6 -45.23 92.54 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 116.408 2.003 . . . . 10.0 116.408 163.551 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . 0.269 . . -65.67 -38.13 88.44 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 120.267 3.432 . . . . 10.0 120.267 171.064 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . 0.253 5.6 tt -61.44 -45.59 93.64 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.309 1.966 . . . . 10.0 116.309 167.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.52 2.4 t -69.32 -21.37 24.94 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 N-CA-C 116.824 2.157 . . . . 10.0 116.824 166.518 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 27' ' ' TRP . 33.9 t -52.68 -53.67 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 114.414 1.265 . . . . 10.0 114.414 158.154 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . 0.319 21.5 mt -71.11 -34.17 70.83 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 118.439 2.755 . . . . 10.0 118.439 177.787 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . 0.316 55.8 t -64.79 -42.73 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 166.38 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . 0.374 42.4 t -65.66 -32.83 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 116.263 1.949 . . . . 10.0 116.263 169.322 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.11 -41.91 96.8 Favored Glycine 0 N--CA 1.474 1.23 0 N-CA-C 118.049 1.979 . . . . 10.0 118.049 162.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.283 . . -56.51 -45.16 81.23 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 118.748 2.87 . . . . 10.0 118.748 162.757 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.361 1.2 m -68.73 -37.65 79.61 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 117.232 2.308 . . . . 10.0 117.232 173.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . 0.379 62.3 t -66.86 -46.76 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 114.765 1.395 . . . . 10.0 114.765 171.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.35 -60.39 9.1 Favored Glycine 0 N--CA 1.474 1.191 0 N-CA-C 117.236 1.654 . . . . 10.0 117.236 169.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.304 21.4 mt -53.32 -46.13 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 N-CA-C 116.804 2.15 . . . . 10.0 116.804 172.417 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 45' ' ' LYS 0.504 70.1 mmtt -66.76 -31.23 71.74 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 118.66 2.837 . . . . 10.0 118.66 174.356 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.3 78.8 mt -64.08 -34.98 79.27 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 118.443 2.757 . . . . 10.0 118.443 158.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -53.36 -50.42 65.11 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.49 2.033 . . . . 10.0 116.49 161.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -60.29 -32.8 71.54 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 118.483 2.772 . . . . 10.0 118.483 166.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 49' ' ' ARG 0.262 73.0 mmtt -58.59 -47.94 82.62 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 116.104 1.89 . . . . 10.0 116.104 166.461 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -56.7 -36.44 69.66 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 117.658 2.466 . . . . 10.0 117.658 165.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . 0.321 17.6 t -52.41 -58.71 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 114.29 1.218 . . . . 10.0 114.29 167.382 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.9 m -63.24 -30.94 71.98 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 119.451 3.13 . . . . 10.0 119.451 170.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 45' ' ' LYS 0.267 35.1 mmt-85 -66.54 -49.1 67.57 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.33 1.974 . . . . 10.0 116.33 174.839 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.9 -19.45 65.88 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 119.71 3.226 . . . . 10.0 119.71 162.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.793 -1.099 . . . . 10.0 112.68 173.026 . . . . . . . . 0 0 . 1 stop_ save_