data_1vku_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 1vku _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 ' -2' ' ' HIS . . . . . . . . . . . . . 31.1 m170 . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 109.213 -0.662 . . . . 51.31 109.213 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . . . -92.84 85.73 5.27 Favored 'General case' 0 C--O 1.25 1.12 0 N-CA-C 108.584 -0.895 . . . . 49.67 108.584 174.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -66.25 152.68 44.39 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.546 -0.752 . . . . 35.42 112.79 -177.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 0.0 OUTLIER 61.59 27.77 17.16 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.669 1.359 . . . . 42.55 114.669 174.781 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -63.7 -38.25 90.41 Favored 'General case' 0 C--O 1.199 -1.584 0 O-C-N 121.877 -0.515 . . . . 47.67 112.328 -178.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' A' ' 27' ' ' GLU . 50.9 mtp85 -72.05 -47.61 50.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 118.814 0.734 . . . . 39.08 110.411 -179.076 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -52.48 -43.5 65.04 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 123.465 0.478 . . . . 28.03 110.592 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.07 -44.89 83.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 112.655 0.613 . . . . 29.79 112.655 -178.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.42 -33.07 72.44 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 113.547 0.943 . . . . 28.39 113.547 176.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.58 -41.18 91.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 118.331 -1.348 . . . . 31.49 109.728 171.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.39 87.33 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 119.833 -0.747 . . . . 30.82 110.584 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -66.47 -45.76 78.63 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.818 0.342 . . . . 35.57 110.787 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -50.68 -50.28 55.23 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 116.491 -0.322 . . . . 32.71 110.722 172.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.11 -40.64 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.639 -0.663 . . . . 29.49 111.569 -179.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -67.91 -44.95 75.73 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 120.993 0.425 . . . . 52.52 111.181 -177.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.3 mt -63.67 -46.03 95.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 CA-C-N 115.727 -0.67 . . . . 30.89 110.386 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.79 74.98 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.605 0.716 . . . . 30.23 110.811 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.3 t -75.66 -48.25 22.87 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 112.805 0.669 . . . . 38.13 112.805 -177.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -81.55 -41.67 21.27 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 114.32 1.23 . . . . 60.4 114.32 -173.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -91.18 -28.84 17.59 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.319 -0.953 . . . . 45.83 112.388 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' MSE . . . . . . . . . . . . . 79.5 mtp -116.25 -6.22 11.84 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 114.554 1.316 . . . . 40.29 114.554 -167.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.69 25.86 72.97 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 115.215 0.846 . . . . 28.22 115.215 175.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -115.43 122.03 44.54 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 104.876 -2.268 . . . . 29.68 104.876 -173.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -96.36 115.13 26.94 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 106.29 -1.745 . . . . 54.56 106.29 178.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -102.89 -34.48 8.95 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.999 0.74 . . . . 41.45 112.999 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . . . 56.46 -86.6 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.729 1.212 . . . . 49.69 114.074 -173.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.9 m -106.9 90.26 3.26 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 115.447 1.647 . . . . 55.88 115.447 -171.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.7 t -84.27 129.05 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 N-CA-C 113.644 0.979 . . . . 41.46 113.644 -176.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.37 129.46 45.57 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.851 -0.796 . . . . 53.63 108.851 164.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' A' ' 3' ' ' ARG . 6.2 mt-10 -48.2 -28.1 2.8 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 116.393 1.997 . . . . 61.54 116.393 172.784 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.88 -14.32 58.73 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 113.48 0.919 . . . . 54.59 113.48 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -62.45 139.45 58.57 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 112.35 0.5 . . . . 45.93 112.35 174.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.5 p -77.24 153.28 34.15 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.211 -1.033 . . . . 30.31 108.211 170.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -63.47 -34.24 77.34 Favored 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 118.767 -1.173 . . . . 30.8 111.059 175.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -58.67 -50.12 75.05 Favored 'General case' 0 N--CA 1.436 -1.144 0 O-C-N 124.632 1.207 . . . . 44.4 108.96 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.6 -26.8 68.01 Favored 'General case' 0 C--O 1.212 -0.871 0 C-N-CA 118.434 -1.306 . . . . 49.92 113.643 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.3 mt -77.11 0.16 22.6 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.991 0.737 . . . . 35.82 112.991 175.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.77 24.5 55.61 Favored Glycine 0 C--O 1.209 -1.451 0 N-CA-C 115.674 1.03 . . . . 31.9 115.674 -176.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -100.24 124.97 46.32 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 107.272 -1.381 . . . . 38.22 107.272 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -91.22 -173.77 3.73 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.592 -0.843 . . . . 36.44 110.283 172.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 76.9 p -64.51 -35.2 80.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.31 -0.404 . . . . 32.53 110.315 -170.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.0 mt -71.0 -37.9 69.78 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.973 0 C-N-CA 123.901 0.88 . . . . 32.46 109.65 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.01 -40.09 94.39 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.072 -0.251 . . . . 33.43 110.961 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.06 -44.92 95.97 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-O 119.167 -0.444 . . . . 30.75 111.385 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 85.2 mt -57.5 -46.11 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 122.879 0.472 . . . . 29.3 111.785 174.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -63.35 -49.32 74.38 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 118.196 0.453 . . . . 35.1 109.99 178.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.3 tp -51.18 -45.83 61.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.765 0.654 . . . . 42.23 112.765 174.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.04 -44.57 95.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 109.563 -0.532 . . . . 32.41 109.563 -177.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' MSE . . . . . . . . . . . . . 87.3 mtp -65.3 -31.77 73.08 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 119.868 -0.111 . . . . 35.92 111.229 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -69.27 -44.5 71.75 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 120.864 -0.334 . . . . 35.39 111.474 174.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.97 -42.33 98.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.265 0.469 . . . . 39.53 112.265 172.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -54.63 -44.68 73.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.88 0.848 . . . . 43.86 112.077 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -74.38 -39.29 62.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.177 -0.675 . . . . 29.99 109.177 -174.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.67 -35.86 82.0 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 123.791 0.682 . . . . 68.45 110.224 -177.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.34 6.93 19.06 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 119.898 -0.721 . . . . 36.23 112.685 -170.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 52.25 51.15 16.87 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.309 0.38 . . . . 31.27 110.425 -177.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.1 mt -114.28 165.5 12.63 Favored 'General case' 0 CA--C 1.509 -0.606 0 C-N-CA 124.83 1.252 . . . . 36.39 108.902 -178.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . . . -127.12 128.82 46.8 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 106.762 -1.569 . . . . 41.59 106.762 165.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.8 mt -116.64 119.27 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.139 -1.06 . . . . 31.39 108.139 174.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -65.32 151.92 45.06 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 123.898 0.879 . . . . 65.5 111.201 -176.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.91 -36.54 83.71 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 123.568 0.543 . . . . 54.86 111.884 -174.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . . . -60.72 -40.91 94.08 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.948 -0.569 . . . . 38.9 111.197 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.35 -39.13 81.96 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.754 0.422 . . . . 57.89 111.326 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -57.3 -45.81 85.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 109.729 -0.471 . . . . 33.14 109.729 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 90.9 p -65.01 -14.99 61.8 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 114.774 1.398 . . . . 36.68 114.774 -174.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -97.96 -8.2 28.51 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.306 0.642 . . . . 34.24 110.982 -175.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.9 mt -70.13 124.9 27.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 123.772 0.829 . . . . 36.71 109.065 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.86 -48.67 2.01 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 123.717 0.807 . . . . 58.05 110.738 -178.216 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -109.99 152.37 25.98 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.312 -1.313 . . . . 36.06 108.541 -174.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.8 t -43.37 -51.75 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 O-C-N 124.084 0.865 . . . . 33.17 111.783 166.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . . . -44.64 -36.48 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.484 0.714 . . . . 34.05 111.465 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -67.9 -40.18 83.5 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.085 0.469 . . . . 37.14 110.306 -174.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.2 tp -71.98 -40.96 68.21 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.064 -0.654 . . . . 37.82 111.949 177.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.8 mm -59.07 -44.57 91.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 107.892 -1.151 . . . . 40.18 107.892 178.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -64.27 -44.51 91.48 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.953 -0.567 . . . . 47.38 112.211 -177.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.9 mt -60.49 -50.69 79.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 CA-C-N 116.514 -0.312 . . . . 41.27 110.381 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -56.26 -51.71 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 113.122 0.786 . . . . 29.75 113.122 178.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.4 mt -50.41 -47.4 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 113.419 0.896 . . . . 33.04 113.419 171.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . . . -59.76 -45.73 91.33 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 122.638 0.375 . . . . 32.67 111.107 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -68.08 -34.43 76.4 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.477 -0.489 . . . . 34.71 111.563 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.1 mt -70.22 -40.75 74.34 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.9 -0.32 . . . . 35.98 110.286 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -59.52 -48.68 80.71 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.027 -0.731 . . . . 60.51 109.027 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 82' ' ' ASP . 61.6 mt-10 -54.24 -58.9 5.61 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.595 -0.442 . . . . 57.29 111.283 178.086 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . . . -65.45 73.23 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 108.073 -1.084 . . . . 54.68 108.073 -178.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 123.334 0.654 . . . . 69.29 111.524 -172.369 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 31.1 m170 . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 109.213 -0.662 . . . . 51.310000000000002 109.213 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . . . -92.84 85.73 5.27 Favored 'General case' 0 C--O 1.25 1.12 0 N-CA-C 108.584 -0.895 . . . . 49.670000000000002 108.584 174.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -66.25 152.68 44.39 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.546 -0.752 . . . . 35.420000000000002 112.79 -177.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 0.0 OUTLIER 61.59 27.77 17.16 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.669 1.359 . . . . 42.549999999999997 114.669 174.781 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -63.7 -38.25 90.41 Favored 'General case' 0 C--O 1.199 -1.584 0 O-C-N 121.877 -0.515 . . . . 47.670000000000002 112.328 -178.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.9 mtp85 -72.05 -47.61 50.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 118.814 0.734 . . . . 39.079999999999998 110.411 -179.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -52.48 -43.5 65.04 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 123.465 0.478 . . . . 28.25 110.592 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.07 -44.89 83.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 112.655 0.613 . . . . 29.789999999999999 112.655 -178.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.42 -33.07 72.44 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 113.547 0.943 . . . . 28.390000000000001 113.547 176.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . 0.752 HD11 ' HG3' ' A' ' 27' ' ' GLU . 72.7 mt -64.58 -41.18 91.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 118.331 -1.348 . . . . 31.489999999999998 109.728 171.49 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.39 87.33 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 119.833 -0.747 . . . . 30.82 110.584 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -66.47 -45.76 78.63 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.818 0.342 . . . . 35.57 110.787 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -50.68 -50.28 55.23 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 116.491 -0.322 . . . . 32.710000000000001 110.722 172.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.11 -40.64 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.639 -0.663 . . . . 29.489999999999998 111.569 -179.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -67.91 -44.95 75.73 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 120.993 0.425 . . . . 52.520000000000003 111.181 -177.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.3 mt -63.67 -46.03 95.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 CA-C-N 115.727 -0.67 . . . . 30.890000000000001 110.386 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.79 74.98 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.605 0.716 . . . . 30.23 110.811 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.3 t -75.66 -48.25 22.87 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 112.805 0.669 . . . . 38.130000000000003 112.805 -177.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -81.55 -41.67 21.27 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 114.32 1.23 . . . . 60.399999999999999 114.32 -173.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -91.18 -28.84 17.59 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.319 -0.953 . . . . 45.829999999999998 112.388 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' MSE . . . . . . . . . . . . . 79.5 mtp -116.25 -6.22 11.84 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 114.554 1.316 . . . . 40.289999999999999 114.554 -167.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.69 25.86 72.97 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 115.215 0.846 . . . . 28.219999999999999 115.215 175.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -115.43 122.03 44.54 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 104.876 -2.268 . . . . 29.68 104.876 -173.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' A' ' 127' ' ' HOH . 22.1 t0 -96.36 115.13 26.94 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 106.29 -1.745 . . . . 54.560000000000002 106.29 178.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -102.89 -34.48 8.95 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.999 0.74 . . . . 41.450000000000003 112.999 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . . . 56.46 -86.6 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.729 1.212 . . . . 49.689999999999998 114.074 -173.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.9 m -106.9 90.26 3.26 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 115.447 1.647 . . . . 55.880000000000003 115.447 -171.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.7 t -84.27 129.05 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 N-CA-C 113.644 0.979 . . . . 41.460000000000001 113.644 -176.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.37 129.46 45.57 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.851 -0.796 . . . . 53.630000000000003 108.851 164.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . 0.752 ' HG3' HD11 ' A' ' 7' ' ' ILE . 6.2 mt-10 -48.2 -28.1 2.8 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 116.393 1.997 . . . . 61.539999999999999 116.393 172.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.88 -14.32 58.73 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 113.48 0.919 . . . . 54.590000000000003 113.48 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -62.45 139.45 58.57 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 112.35 0.5 . . . . 45.93 112.35 174.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.5 p -77.24 153.28 34.15 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.211 -1.033 . . . . 30.309999999999999 108.211 170.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -63.47 -34.24 77.34 Favored 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 118.767 -1.173 . . . . 30.800000000000001 111.059 175.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -58.67 -50.12 75.05 Favored 'General case' 0 N--CA 1.436 -1.144 0 O-C-N 124.632 1.207 . . . . 44.399999999999999 108.96 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.6 -26.8 68.01 Favored 'General case' 0 C--O 1.212 -0.871 0 C-N-CA 118.434 -1.306 . . . . 49.920000000000002 113.643 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.3 mt -77.11 0.16 22.6 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.991 0.737 . . . . 35.82 112.991 175.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.77 24.5 55.61 Favored Glycine 0 C--O 1.209 -1.451 0 N-CA-C 115.674 1.03 . . . . 31.899999999999999 115.674 -176.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -100.24 124.97 46.32 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 107.272 -1.381 . . . . 38.219999999999999 107.272 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -91.22 -173.77 3.73 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.592 -0.843 . . . . 36.439999999999998 110.283 172.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 76.9 p -64.51 -35.2 80.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.31 -0.404 . . . . 32.530000000000001 110.315 -170.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.0 mt -71.0 -37.9 69.78 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.973 0 C-N-CA 123.901 0.88 . . . . 32.460000000000001 109.65 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.01 -40.09 94.39 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.072 -0.251 . . . . 33.43 110.961 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.06 -44.92 95.97 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-O 119.167 -0.444 . . . . 30.75 111.385 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 85.2 mt -57.5 -46.11 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 122.879 0.472 . . . . 29.300000000000001 111.785 174.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -63.35 -49.32 74.38 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 118.196 0.453 . . . . 35.100000000000001 109.99 178.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.3 tp -51.18 -45.83 61.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.765 0.654 . . . . 42.229999999999997 112.765 174.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.04 -44.57 95.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 109.563 -0.532 . . . . 32.409999999999997 109.563 -177.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' MSE . . . . . . . . . . . . . 87.3 mtp -65.3 -31.77 73.08 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 119.868 -0.111 . . . . 35.920000000000002 111.229 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -69.27 -44.5 71.75 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 120.864 -0.334 . . . . 35.390000000000001 111.474 174.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.97 -42.33 98.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.265 0.469 . . . . 39.530000000000001 112.265 172.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -54.63 -44.68 73.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.88 0.848 . . . . 43.859999999999999 112.077 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -74.38 -39.29 62.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.177 -0.675 . . . . 29.989999999999998 109.177 -174.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.67 -35.86 82.0 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 123.791 0.682 . . . . 68.450000000000003 110.224 -177.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.34 6.93 19.06 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 119.898 -0.721 . . . . 36.229999999999997 112.685 -170.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 52.25 51.15 16.87 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.309 0.38 . . . . 31.27 110.425 -177.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.1 mt -114.28 165.5 12.63 Favored 'General case' 0 CA--C 1.509 -0.606 0 C-N-CA 124.83 1.252 . . . . 36.390000000000001 108.902 -178.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . . . -127.12 128.82 46.8 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 106.762 -1.569 . . . . 41.590000000000003 106.762 165.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.8 mt -116.64 119.27 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.139 -1.06 . . . . 31.390000000000001 108.139 174.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -65.32 151.92 45.06 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 123.898 0.879 . . . . 65.5 111.201 -176.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.91 -36.54 83.71 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 123.568 0.543 . . . . 54.859999999999999 111.884 -174.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . . . -60.72 -40.91 94.08 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.948 -0.569 . . . . 38.899999999999999 111.197 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.35 -39.13 81.96 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.754 0.422 . . . . 57.890000000000001 111.326 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -57.3 -45.81 85.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 109.729 -0.471 . . . . 33.140000000000001 109.729 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 90.9 p -65.01 -14.99 61.8 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 114.774 1.398 . . . . 36.68 114.774 -174.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -97.96 -8.2 28.51 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.306 0.642 . . . . 34.240000000000002 110.982 -175.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.9 mt -70.13 124.9 27.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 123.772 0.829 . . . . 36.710000000000001 109.065 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.86 -48.67 2.01 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 123.717 0.807 . . . . 58.049999999999997 110.738 -178.216 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -109.99 152.37 25.98 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.312 -1.313 . . . . 36.060000000000002 108.541 -174.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.8 t -43.37 -51.75 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 O-C-N 124.084 0.865 . . . . 33.170000000000002 111.783 166.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . . . -44.64 -36.48 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.484 0.714 . . . . 34.049999999999997 111.465 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -67.9 -40.18 83.5 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.085 0.469 . . . . 37.140000000000001 110.306 -174.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.2 tp -71.98 -40.96 68.21 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.064 -0.654 . . . . 37.82 111.949 177.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.8 mm -59.07 -44.57 91.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 107.892 -1.151 . . . . 40.18 107.892 178.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -64.27 -44.51 91.48 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.953 -0.567 . . . . 47.380000000000003 112.211 -177.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.9 mt -60.49 -50.69 79.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 CA-C-N 116.514 -0.312 . . . . 41.270000000000003 110.381 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -56.26 -51.71 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 113.122 0.786 . . . . 29.75 113.122 178.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.4 mt -50.41 -47.4 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 113.419 0.896 . . . . 33.039999999999999 113.419 171.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . . . -59.76 -45.73 91.33 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 122.638 0.375 . . . . 32.670000000000002 111.107 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -68.08 -34.43 76.4 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.477 -0.489 . . . . 34.710000000000001 111.563 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.1 mt -70.22 -40.75 74.34 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.9 -0.32 . . . . 35.979999999999997 110.286 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLU . . . . . 0.547 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 89.5 mt-10 -59.52 -48.68 80.71 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.027 -0.731 . . . . 60.509999999999998 109.027 177.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 82' ' ' ASP . 61.6 mt-10 -54.24 -58.9 5.61 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.595 -0.442 . . . . 57.289999999999999 111.283 178.086 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . . . -65.45 73.23 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 108.073 -1.084 . . . . 54.68 108.073 -178.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . 0.547 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 123.334 0.654 . . . . 69.290000000000006 111.524 -172.369 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . 0.492 ' O ' ' HB2' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 31.1 m170 . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 109.213 -0.662 . . . . 51.310000000000002 109.213 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . . . -92.84 85.73 5.27 Favored 'General case' 0 C--O 1.25 1.12 0 N-CA-C 108.584 -0.895 . . . . 49.670000000000002 108.584 174.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -66.25 152.68 44.39 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.546 -0.752 . . . . 35.420000000000002 112.79 -177.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 0.0 OUTLIER 61.59 27.77 17.16 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.669 1.359 . . . . 42.549999999999997 114.669 174.781 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -63.7 -38.25 90.41 Favored 'General case' 0 C--O 1.199 -1.584 0 O-C-N 121.877 -0.515 . . . . 47.670000000000002 112.328 -178.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.9 mtp85 -72.05 -47.61 50.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 118.814 0.734 . . . . 39.079999999999998 110.411 -179.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -52.48 -43.5 65.04 Favored 'General case' 0 C--O 1.217 -0.652 0 O-C-N 123.465 0.478 . . . . 28.25 110.592 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.07 -44.89 83.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 112.655 0.613 . . . . 29.789999999999999 112.655 -178.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.42 -33.07 72.44 Favored 'General case' 0 C--O 1.213 -0.838 0 N-CA-C 113.547 0.943 . . . . 28.390000000000001 113.547 176.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.752 HD11 ' HG3' ' A' ' 27' ' ' GLU . 72.7 mt -64.58 -41.18 91.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 118.331 -1.348 . . . . 31.489999999999998 109.728 171.49 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.39 87.33 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 119.833 -0.747 . . . . 30.82 110.584 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -66.47 -45.76 78.63 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.818 0.342 . . . . 35.57 110.787 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -50.68 -50.28 55.23 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 116.491 -0.322 . . . . 32.710000000000001 110.722 172.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.11 -40.64 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.639 -0.663 . . . . 29.489999999999998 111.569 -179.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -67.91 -44.95 75.73 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 120.993 0.425 . . . . 52.520000000000003 111.181 -177.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.3 mt -63.67 -46.03 95.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 CA-C-N 115.727 -0.67 . . . . 30.890000000000001 110.386 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.79 74.98 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.605 0.716 . . . . 30.23 110.811 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.3 t -75.66 -48.25 22.87 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 112.805 0.669 . . . . 38.130000000000003 112.805 -177.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -81.55 -41.67 21.27 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 114.32 1.23 . . . . 60.399999999999999 114.32 -173.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -91.18 -28.84 17.59 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.319 -0.953 . . . . 45.829999999999998 112.388 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' MSE . . . . . . . . . . . . . 79.5 mtp -116.25 -6.22 11.84 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 114.554 1.316 . . . . 40.289999999999999 114.554 -167.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.69 25.86 72.97 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 115.215 0.846 . . . . 28.219999999999999 115.215 175.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -115.43 122.03 44.54 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 104.876 -2.268 . . . . 29.68 104.876 -173.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' A' ' 127' ' ' HOH . 22.1 t0 -96.36 115.13 26.94 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 106.29 -1.745 . . . . 54.560000000000002 106.29 178.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.0 mt -102.89 -34.48 8.95 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.999 0.74 . . . . 41.450000000000003 112.999 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . . . 56.46 -86.6 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.729 1.212 . . . . 49.689999999999998 114.074 -173.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.9 m -106.9 90.26 3.26 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 115.447 1.647 . . . . 55.880000000000003 115.447 -171.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.7 t -84.27 129.05 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 N-CA-C 113.644 0.979 . . . . 41.460000000000001 113.644 -176.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.37 129.46 45.57 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.851 -0.796 . . . . 53.630000000000003 108.851 164.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.752 ' HG3' HD11 ' A' ' 7' ' ' ILE . 6.2 mt-10 -48.2 -28.1 2.8 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 116.393 1.997 . . . . 61.539999999999999 116.393 172.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.88 -14.32 58.73 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 113.48 0.919 . . . . 54.590000000000003 113.48 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -62.45 139.45 58.57 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 112.35 0.5 . . . . 45.93 112.35 174.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.5 p -77.24 153.28 34.15 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.211 -1.033 . . . . 30.309999999999999 108.211 170.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -63.47 -34.24 77.34 Favored 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 118.767 -1.173 . . . . 30.800000000000001 111.059 175.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -58.67 -50.12 75.05 Favored 'General case' 0 N--CA 1.436 -1.144 0 O-C-N 124.632 1.207 . . . . 44.399999999999999 108.96 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.6 -26.8 68.01 Favored 'General case' 0 C--O 1.212 -0.871 0 C-N-CA 118.434 -1.306 . . . . 49.920000000000002 113.643 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.3 mt -77.11 0.16 22.6 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.991 0.737 . . . . 35.82 112.991 175.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.77 24.5 55.61 Favored Glycine 0 C--O 1.209 -1.451 0 N-CA-C 115.674 1.03 . . . . 31.899999999999999 115.674 -176.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -100.24 124.97 46.32 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 107.272 -1.381 . . . . 38.219999999999999 107.272 176.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -91.22 -173.77 3.73 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.592 -0.843 . . . . 36.439999999999998 110.283 172.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 76.9 p -64.51 -35.2 80.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.31 -0.404 . . . . 32.530000000000001 110.315 -170.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.0 mt -71.0 -37.9 69.78 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.973 0 C-N-CA 123.901 0.88 . . . . 32.460000000000001 109.65 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.01 -40.09 94.39 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.072 -0.251 . . . . 33.43 110.961 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.06 -44.92 95.97 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-O 119.167 -0.444 . . . . 30.75 111.385 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 85.2 mt -57.5 -46.11 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 122.879 0.472 . . . . 29.300000000000001 111.785 174.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -63.35 -49.32 74.38 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 118.196 0.453 . . . . 35.100000000000001 109.99 178.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.3 tp -51.18 -45.83 61.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.765 0.654 . . . . 42.229999999999997 112.765 174.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.04 -44.57 95.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 109.563 -0.532 . . . . 32.409999999999997 109.563 -177.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' MSE . . . . . . . . . . . . . 87.3 mtp -65.3 -31.77 73.08 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 119.868 -0.111 . . . . 35.920000000000002 111.229 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -69.27 -44.5 71.75 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 120.864 -0.334 . . . . 35.390000000000001 111.474 174.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.97 -42.33 98.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.265 0.469 . . . . 39.530000000000001 112.265 172.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -54.63 -44.68 73.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.88 0.848 . . . . 43.859999999999999 112.077 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -74.38 -39.29 62.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.177 -0.675 . . . . 29.989999999999998 109.177 -174.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.67 -35.86 82.0 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 123.791 0.682 . . . . 68.450000000000003 110.224 -177.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.34 6.93 19.06 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 119.898 -0.721 . . . . 36.229999999999997 112.685 -170.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 52.25 51.15 16.87 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 123.309 0.38 . . . . 31.27 110.425 -177.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.1 mt -114.28 165.5 12.63 Favored 'General case' 0 CA--C 1.509 -0.606 0 C-N-CA 124.83 1.252 . . . . 36.390000000000001 108.902 -178.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . . . -127.12 128.82 46.8 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 106.762 -1.569 . . . . 41.590000000000003 106.762 165.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.8 mt -116.64 119.27 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.139 -1.06 . . . . 31.390000000000001 108.139 174.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -65.32 151.92 45.06 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 123.898 0.879 . . . . 65.5 111.201 -176.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.91 -36.54 83.71 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 123.568 0.543 . . . . 54.859999999999999 111.884 -174.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . . . -60.72 -40.91 94.08 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.948 -0.569 . . . . 38.899999999999999 111.197 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.35 -39.13 81.96 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.754 0.422 . . . . 57.890000000000001 111.326 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -57.3 -45.81 85.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 109.729 -0.471 . . . . 33.140000000000001 109.729 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 90.9 p -65.01 -14.99 61.8 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 114.774 1.398 . . . . 36.68 114.774 -174.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -97.96 -8.2 28.51 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.306 0.642 . . . . 34.240000000000002 110.982 -175.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.9 mt -70.13 124.9 27.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 123.772 0.829 . . . . 36.710000000000001 109.065 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.86 -48.67 2.01 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 123.717 0.807 . . . . 58.049999999999997 110.738 -178.216 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -109.99 152.37 25.98 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.312 -1.313 . . . . 36.060000000000002 108.541 -174.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.8 t -43.37 -51.75 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 O-C-N 124.084 0.865 . . . . 33.170000000000002 111.783 166.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . . . -44.64 -36.48 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.484 0.714 . . . . 34.049999999999997 111.465 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -67.9 -40.18 83.5 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.085 0.469 . . . . 37.140000000000001 110.306 -174.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.2 tp -71.98 -40.96 68.21 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.064 -0.654 . . . . 37.82 111.949 177.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.8 mm -59.07 -44.57 91.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 107.892 -1.151 . . . . 40.18 107.892 178.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -64.27 -44.51 91.48 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.953 -0.567 . . . . 47.380000000000003 112.211 -177.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.9 mt -60.49 -50.69 79.36 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 CA-C-N 116.514 -0.312 . . . . 41.270000000000003 110.381 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -56.26 -51.71 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 113.122 0.786 . . . . 29.75 113.122 178.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.4 mt -50.41 -47.4 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 113.419 0.896 . . . . 33.039999999999999 113.419 171.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . . . -59.76 -45.73 91.33 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 122.638 0.375 . . . . 32.670000000000002 111.107 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -68.08 -34.43 76.4 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.477 -0.489 . . . . 34.710000000000001 111.563 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.1 mt -70.22 -40.75 74.34 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.9 -0.32 . . . . 35.979999999999997 110.286 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.547 ' O ' ' HB2' ' A' ' 82' ' ' ASP . 89.5 mt-10 -59.52 -48.68 80.71 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.027 -0.731 . . . . 60.509999999999998 109.027 177.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 82' ' ' ASP . 61.6 mt-10 -54.24 -58.9 5.61 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.595 -0.442 . . . . 57.289999999999999 111.283 178.086 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . . . -65.45 73.23 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 108.073 -1.084 . . . . 54.68 108.073 -178.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.547 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 123.334 0.654 . . . . 69.290000000000006 111.524 -172.369 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . 0.492 ' O ' ' HB2' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_