data_3hqj_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 3hqj _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.017 0 CA-C-O 121.833 0.685 . . . . 26.760000000000002 112.929 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.3 mt -77.75 133.76 29.84 Favored 'Isoleucine or valine' 0 C--O 1.246 0.909 0 CA-C-O 121.608 0.718 . . . . 21.91 110.698 -177.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 53.0 t -82.46 -47.42 18.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 CA-C-O 121.766 0.793 . . . . 20.66 113.002 173.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.98 172.76 45.32 Favored Glycine 0 C--O 1.256 1.509 0 N-CA-C 110.181 -1.167 . . . . 16.48 110.181 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 p -135.34 148.27 28.67 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 CA-C-N 113.407 -1.396 . . . . 15.25 107.233 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.49 155.17 24.58 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 109.049 -1.62 . . . . 14.17 109.049 173.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 tt -138.88 153.82 25.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 106.128 -1.804 . . . . 14.15 106.128 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -152.61 137.5 17.14 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 119.496 -0.288 . . . . 16.420000000000002 110.339 176.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.5 mt -106.98 139.09 41.94 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.836 0.854 . . . . 18.010000000000002 110.506 167.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -130.81 127.03 61.09 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 N-CA-C 108.605 -0.887 . . . . 15.31 108.605 178.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 t -72.82 117.09 14.1 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 109.025 -0.732 . . . . 17.949999999999999 109.025 169.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.55 -50.7 77.32 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-O 118.674 -0.679 . . . . 17.510000000000002 112.595 -178.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -64.25 -39.17 31.48 Favored 'Trans proline' 0 N--CA 1.486 1.052 0 C-N-CA 116.09 -2.14 . . . . 20.77 111.386 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -66.67 -37.72 85.35 Favored 'General case' 0 CA--C 1.512 -0.495 0 C-N-CA 119.13 -1.028 . . . . 30.859999999999999 112.961 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -62.39 -42.89 99.77 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 123.75 0.656 . . . . 27.260000000000002 112.263 173.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.23 81.64 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 123.523 0.515 . . . . 20.190000000000001 110.287 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.21 -40.71 86.47 Favored 'General case' 0 C--O 1.259 1.573 0 CA-C-O 121.451 0.643 . . . . 23.260000000000002 111.663 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -63.28 -39.82 95.64 Favored 'General case' 0 C--O 1.196 -1.74 0 N-CA-C 115.961 1.837 . . . . 44.740000000000002 115.961 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.8 m -80.2 -17.28 12.65 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.582 0 N-CA-C 113.986 1.106 . . . . 33.109999999999999 113.986 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.43 0.6 OUTLIER . . . . . 0 C--O 1.255 1.38 1 N-CA-C 126.815 5.857 . . . . 43.789999999999999 126.815 154.962 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.485 0.183 . . . . 35.130000000000003 110.519 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -111.78 142.41 44.18 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 123.364 0.665 . . . . 28.469999999999999 110.205 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.4 p -78.96 163.77 58.54 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 123.567 0.542 . . . . 28.199999999999999 111.426 175.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -55.86 -41.56 76.03 Favored 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 120.445 0.764 . . . . 28.850000000000001 110.979 175.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.93 -50.89 60.65 Favored Glycine 0 N--CA 1.441 -1.011 0 O-C-N 123.776 0.673 . . . . 27.91 111.769 177.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -57.3 -49.02 77.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.493 1.294 . . . . 27.199999999999999 114.493 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -61.52 -42.68 99.17 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.163 -0.472 . . . . 42.530000000000001 112.219 178.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 ttp-105 -56.26 -52.07 65.81 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.259 0.836 . . . . 44.009999999999998 113.259 170.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -58.03 -39.05 77.39 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.871 0.367 . . . . 33.869999999999997 111.592 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.15 65.58 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 115.036 1.495 . . . . 33.759999999999998 115.036 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 114.385 1.254 . . . . 39.630000000000003 114.385 -173.845 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 116.822 2.156 . . . . 38.280000000000001 116.822 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.86 -33.03 75.03 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.787 1.032 . . . . 30.109999999999999 113.787 -176.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.37 -47.95 77.84 Favored 'General case' 0 C--O 1.198 -1.629 0 C-N-CA 122.772 0.429 . . . . 24.629999999999999 111.343 -171.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -43.9 -52.76 6.62 Favored 'General case' 0 C--O 1.257 1.475 0 CA-C-O 123.761 1.743 . . . . 20.460000000000001 112.432 172.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HIS . . . . . 0.454 ' CD2' ' O8A' ' A' ' 150' ' ' COA . 65.8 m80 -72.06 -42.63 66.03 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 113.336 -1.757 . . . . 23.07 111.71 -173.476 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.65 -41.31 96.2 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 112.292 0.479 . . . . 24.379999999999999 112.292 175.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.88 87.46 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 115.954 -0.566 . . . . 16.539999999999999 111.702 176.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.96 -33.33 73.53 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.244 -0.982 . . . . 15.109999999999999 111.555 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -68.46 -39.18 81.52 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.471 0.545 . . . . 18.609999999999999 112.471 173.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.23 -48.26 80.94 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 120.326 -0.55 . . . . 25.379999999999999 112.115 169.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.34 -41.13 79.42 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.105 0.479 . . . . 15.77 110.791 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.14 83.14 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.907 -0.496 . . . . 15.789999999999999 112.004 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -58.17 -46.73 85.22 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 121.061 0.458 . . . . 19.449999999999999 111.511 174.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . 0.512 ' OE2' ' CE1' ' A' ' 80' ' ' HIS . 11.9 mm-40 -60.94 -39.57 89.94 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.737 1.014 . . . . 23.82 113.737 175.915 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.19 97.23 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 109.305 -0.628 . . . . 15.76 109.305 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.4 -46.3 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 123.368 0.417 . . . . 17.09 109.997 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.21 -45.11 88.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.03 0 CA-C-N 116.076 -0.511 . . . . 21.039999999999999 110.649 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -64.32 -40.57 96.17 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.028 -0.42 . . . . 17.120000000000001 110.008 -177.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.29 97.01 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.866 0.365 . . . . 20.829999999999998 111.114 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -73.26 -55.3 6.61 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.323 -0.951 . . . . 38.07 111.137 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.5 t -58.75 -40.63 84.41 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 109.031 -0.729 . . . . 28.530000000000001 109.031 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.73 -34.02 35.78 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 116.235 -0.439 . . . . 28.329999999999998 113.95 174.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.3 p -73.27 -5.41 39.32 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.342 1.238 . . . . 26.52 114.342 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.0 mtp-105 -113.36 37.95 3.04 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.741 0.781 . . . . 38.640000000000001 111.066 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -49.84 132.19 22.36 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.345 -0.843 . . . . 27.510000000000002 110.343 176.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 69.09 8.72 7.0 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.181 1.178 . . . . 31.02 114.181 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -105.73 146.6 29.59 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.258 0.551 . . . . 48.310000000000002 111.775 173.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -60.23 133.4 90.52 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.868 -0.79 . . . . 44.140000000000001 108.868 173.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -56.1 151.18 44.0 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 124.211 3.274 . . . . 41.82 112.173 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' MET . . . . . 0.955 ' CE ' ' CD1' ' A' ' 104' ' ' TYR . 6.1 ttp . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 114.041 1.126 . . . . 49.579999999999998 114.041 -167.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.4 tt . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 112.521 0.563 . . . . 29.050000000000001 112.521 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HIS . . . . . 0.512 ' CE1' ' OE2' ' A' ' 58' ' ' GLU . 94.2 m-70 -62.37 -38.84 91.15 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 113.864 1.061 . . . . 30.420000000000002 113.864 -172.438 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -64.51 -28.93 69.99 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 113.376 0.88 . . . . 35.530000000000001 113.376 178.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -81.33 -3.78 53.66 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 114.722 1.378 . . . . 32.310000000000002 114.722 -177.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 mm -111.1 94.38 3.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 105.135 -2.172 . . . . 32.049999999999997 105.135 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -103.05 129.48 49.86 Favored 'General case' 0 CA--C 1.505 -0.76 0 C-N-CA 118.191 -1.404 . . . . 22.420000000000002 110.365 -170.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.0 t -87.06 112.4 23.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.137 -2.172 . . . . 18.780000000000001 105.137 172.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.6 t -96.95 140.99 16.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 105.778 -1.934 . . . . 24.420000000000002 105.778 176.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.0 p -115.69 144.91 43.27 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 119.583 -0.847 . . . . 26.879999999999999 112.121 170.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -85.57 -170.77 3.27 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 119.133 -1.027 . . . . 26.010000000000002 110.63 176.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.3 mtm -68.63 -16.98 64.02 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.708 1.003 . . . . 27.609999999999999 113.708 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 -99.08 4.63 47.06 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.048 0.842 . . . . 30.670000000000002 113.051 176.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.6 11.62 83.85 Favored Glycine 0 CA--C 1.533 1.167 0 N-CA-C 115.311 0.884 . . . . 26.829999999999998 115.311 178.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -68.98 134.88 89.67 Favored Pre-proline 0 N--CA 1.471 0.597 0 CA-C-N 118.433 1.116 . . . . 25.739999999999998 108.458 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -85.33 143.98 9.04 Favored 'Trans proline' 0 C--O 1.166 -3.08 0 C-N-CA 121.819 1.679 . . . . 22.449999999999999 111.728 177.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -147.95 137.6 22.47 Favored 'General case' 0 C--O 1.192 -1.921 0 C-N-CA 124.231 1.013 . . . . 38.020000000000003 110.098 171.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 56.0 t -87.62 134.1 28.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.086 -0.646 . . . . 23.809999999999999 109.723 -179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -120.58 127.56 52.25 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 104.678 -2.341 . . . . 44.170000000000002 104.678 172.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.7 mt -98.37 145.9 26.24 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 112.531 0.567 . . . . 27.449999999999999 112.531 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.9 p -132.12 178.95 6.41 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 124.631 1.207 . . . . 30.100000000000001 109.432 169.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.29 -151.71 52.43 Favored Glycine 0 C--N 1.347 1.148 0 C-N-CA 121.111 -0.566 . . . . 30.190000000000001 114.031 169.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . 0.576 ' O ' ' CD2' ' A' ' 104' ' ' TYR . . . -70.53 -40.46 73.46 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.859 0.689 . . . . 32.710000000000001 112.859 -172.784 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.1 pp -61.53 -27.85 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 114.321 1.23 . . . . 36.030000000000001 114.321 174.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.34 73.64 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.631 -0.828 . . . . 34.670000000000002 109.492 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.01 -55.06 16.04 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 124.054 0.846 . . . . 43.369999999999997 110.693 175.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' TYR . . . . . 0.955 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 97.7 m-85 -56.33 -38.1 70.86 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.397 0.888 . . . . 46.640000000000001 113.397 -177.885 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.8 mt -104.43 27.38 7.92 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.24 0.83 . . . . 38.020000000000003 113.24 -177.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -44.39 -45.38 8.91 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 117.771 2.508 . . . . 36.890000000000001 117.771 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -97.93 4.58 49.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.659 0.985 . . . . 48.789999999999999 113.659 -176.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.0 t -91.9 130.71 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 115.782 -0.645 . . . . 31.899999999999999 112.678 -170.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.4 m -91.63 131.93 36.69 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.403 -1.332 . . . . 27.949999999999999 107.403 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 76.8 mt -110.62 128.3 67.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.455 -0.572 . . . . 22.66 109.455 -179.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -112.98 132.22 55.45 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 107.347 -1.353 . . . . 21.780000000000001 107.347 173.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.0 m -134.67 160.11 41.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.713 -0.395 . . . . 20.050000000000001 111.258 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.8 t -148.93 144.3 26.74 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 107.768 -1.197 . . . . 13.92 107.768 170.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.5 mp -124.24 151.84 43.67 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.73 -0.841 . . . . 12.699999999999999 108.73 -175.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 15.0 t -150.91 150.7 31.18 Favored 'General case' 0 C--O 1.249 1.043 0 CA-C-N 115.959 -0.564 . . . . 15.6 110.067 173.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.17 125.02 13.41 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.659 -0.867 . . . . 17.510000000000002 108.659 171.214 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -139.72 120.07 13.93 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 106.201 -1.777 . . . . 26.27 106.201 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 58.89 -128.3 47.35 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.236 -1.946 . . . . 16.739999999999998 108.236 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -84.93 6.52 24.64 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.035 1.495 . . . . 18.079999999999998 115.035 -175.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 87.4 m -128.45 128.79 45.08 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 113.197 0.814 . . . . 15.07 113.197 -170.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.46 152.89 22.45 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 108.175 -1.046 . . . . 15.24 108.175 171.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.72 162.98 35.38 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 118.971 -1.092 . . . . 15.449999999999999 110.538 172.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -151.61 154.25 36.04 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 119.892 -0.723 . . . . 13.109999999999999 109.389 174.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.9 p -130.15 146.67 33.72 Favored 'Isoleucine or valine' 0 C--O 1.26 1.641 0 N-CA-C 105.241 -2.133 . . . . 15.279999999999999 105.241 174.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -136.4 143.88 44.21 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 107.629 -1.249 . . . . 16.280000000000001 107.629 175.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 57.6 mt -129.65 126.71 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 106.675 -1.602 . . . . 17.780000000000001 106.675 172.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.2 mp -101.96 136.29 42.05 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 108.599 -0.889 . . . . 20.989999999999998 108.599 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -135.53 132.43 37.25 Favored 'General case' 0 C--O 1.173 -2.926 0 CA-C-N 114.594 -1.185 . . . . 30.530000000000001 110.147 -173.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ALA . . . . . 0.423 ' CB ' ' CD ' ' A' ' 130' ' ' PRO . . . -125.15 -167.87 0.13 Allowed Pre-proline 0 C--O 1.197 -1.673 0 N-CA-C 113.38 0.881 . . . . 38.609999999999999 113.38 -175.976 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 129' ' ' ALA . 50.1 Cg_exo . . . . . 0 CA--C 1.536 0.614 0 C-N-CA 121.97 1.78 . . . . 44.460000000000001 116.019 -176.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ' MG' . . . . . 1.239 'MG ' ' O ' ' A' ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' COA . . . . . 0.454 ' O8A' ' CD2' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . 1.239 ' O ' 'MG ' ' A' ' 131' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.017 0 CA-C-O 121.833 0.685 . . . . 26.76 112.929 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.3 mt -77.75 133.76 29.84 Favored 'Isoleucine or valine' 0 C--O 1.246 0.909 0 CA-C-O 121.608 0.718 . . . . 21.91 110.698 -177.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 53.0 t -82.46 -47.42 18.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 CA-C-O 121.766 0.793 . . . . 20.66 113.002 173.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.98 172.76 45.32 Favored Glycine 0 C--O 1.256 1.509 0 N-CA-C 110.181 -1.167 . . . . 16.48 110.181 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 p -135.34 148.27 28.67 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 CA-C-N 113.407 -1.396 . . . . 15.25 107.233 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.49 155.17 24.58 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 109.049 -1.62 . . . . 14.17 109.049 173.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 tt -138.88 153.82 25.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 106.128 -1.804 . . . . 14.15 106.128 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -152.61 137.5 17.14 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 119.496 -0.288 . . . . 16.42 110.339 176.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.5 mt -106.98 139.09 41.94 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.836 0.854 . . . . 18.01 110.506 167.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -130.81 127.03 61.09 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 N-CA-C 108.605 -0.887 . . . . 15.31 108.605 178.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 t -72.82 117.09 14.1 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 109.025 -0.732 . . . . 17.95 109.025 169.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.55 -50.7 77.32 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-O 118.674 -0.679 . . . . 17.51 112.595 -178.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -64.25 -39.17 31.48 Favored 'Trans proline' 0 N--CA 1.486 1.052 0 C-N-CA 116.09 -2.14 . . . . 20.77 111.386 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -66.67 -37.72 85.35 Favored 'General case' 0 CA--C 1.512 -0.495 0 C-N-CA 119.13 -1.028 . . . . 30.86 112.961 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -62.39 -42.89 99.77 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 123.75 0.656 . . . . 27.26 112.263 173.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.23 81.64 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 123.523 0.515 . . . . 20.19 110.287 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.21 -40.71 86.47 Favored 'General case' 0 C--O 1.259 1.573 0 CA-C-O 121.451 0.643 . . . . 23.26 111.663 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -63.28 -39.82 95.64 Favored 'General case' 0 C--O 1.196 -1.74 0 N-CA-C 115.961 1.837 . . . . 44.74 115.961 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 22.8 m -80.2 -17.28 12.65 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.582 0 N-CA-C 113.986 1.106 . . . . 33.11 113.986 177.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 20' ' ' VAL 0.43 0.6 OUTLIER . . . . . 0 C--O 1.255 1.38 1 N-CA-C 126.815 5.857 . . . . 43.79 126.815 154.962 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.485 0.183 . . . . 35.13 110.519 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -111.78 142.41 44.18 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 123.364 0.665 . . . . 28.47 110.205 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.4 p -78.96 163.77 58.54 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 123.567 0.542 . . . . 28.2 111.426 175.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -55.86 -41.56 76.03 Favored 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 120.445 0.764 . . . . 28.85 110.979 175.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.93 -50.89 60.65 Favored Glycine 0 N--CA 1.441 -1.011 0 O-C-N 123.776 0.673 . . . . 27.91 111.769 177.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -57.3 -49.02 77.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.493 1.294 . . . . 27.2 114.493 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -61.52 -42.68 99.17 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.163 -0.472 . . . . 42.53 112.219 178.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 ttp-105 -56.26 -52.07 65.81 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.259 0.836 . . . . 44.01 113.259 170.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -58.03 -39.05 77.39 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.871 0.367 . . . . 33.87 111.592 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.15 65.58 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 115.036 1.495 . . . . 33.76 115.036 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 114.385 1.254 . . . . 39.63 114.385 -173.845 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 116.822 2.156 . . . . 38.28 116.822 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.86 -33.03 75.03 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.787 1.032 . . . . 30.11 113.787 -176.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.37 -47.95 77.84 Favored 'General case' 0 C--O 1.198 -1.629 0 C-N-CA 122.772 0.429 . . . . 24.63 111.343 -171.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -43.9 -52.76 6.62 Favored 'General case' 0 C--O 1.257 1.475 0 CA-C-O 123.761 1.743 . . . . 20.46 112.432 172.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -72.06 -42.63 66.03 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 113.336 -1.757 . . . . 23.07 111.71 -173.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.65 -41.31 96.2 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 112.292 0.479 . . . . 24.38 112.292 175.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.88 87.46 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 115.954 -0.566 . . . . 16.54 111.702 176.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.96 -33.33 73.53 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.244 -0.982 . . . . 15.11 111.555 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -68.46 -39.18 81.52 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.471 0.545 . . . . 18.61 112.471 173.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.23 -48.26 80.94 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 120.326 -0.55 . . . . 25.38 112.115 169.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.34 -41.13 79.42 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.105 0.479 . . . . 15.77 110.791 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.14 83.14 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.907 -0.496 . . . . 15.79 112.004 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -58.17 -46.73 85.22 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 121.061 0.458 . . . . 19.45 111.511 174.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -60.94 -39.57 89.94 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.737 1.014 . . . . 23.82 113.737 175.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.19 97.23 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 109.305 -0.628 . . . . 15.76 109.305 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.4 -46.3 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 123.368 0.417 . . . . 17.09 109.997 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.21 -45.11 88.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.03 0 CA-C-N 116.076 -0.511 . . . . 21.04 110.649 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -64.32 -40.57 96.17 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.028 -0.42 . . . . 17.12 110.008 -177.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.29 97.01 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.866 0.365 . . . . 20.83 111.114 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' TRP . . . . . 0.714 ' CD1' HD21 ' A' ' 105' ' ' LEU . 26.4 t90 -73.26 -55.3 6.61 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.323 -0.951 . . . . 38.07 111.137 -178.273 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.5 t -58.75 -40.63 84.41 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 109.031 -0.729 . . . . 28.53 109.031 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.73 -34.02 35.78 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 116.235 -0.439 . . . . 28.33 113.95 174.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.3 p -73.27 -5.41 39.32 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.342 1.238 . . . . 26.52 114.342 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.0 mtp-105 -113.36 37.95 3.04 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.741 0.781 . . . . 38.64 111.066 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -49.84 132.19 22.36 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.345 -0.843 . . . . 27.51 110.343 176.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 69.09 8.72 7.0 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.181 1.178 . . . . 31.02 114.181 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -105.73 146.6 29.59 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.258 0.551 . . . . 48.31 111.775 173.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -60.23 133.4 90.52 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.868 -0.79 . . . . 44.14 108.868 173.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -56.1 151.18 44.0 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 124.211 3.274 . . . . 41.82 112.173 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' MET . . . . . 0.956 ' HE2' ' CD1' ' A' ' 104' ' ' TYR . 6.1 ttp . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 114.041 1.126 . . . . 49.58 114.041 -167.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.4 tt . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 112.521 0.563 . . . . 29.05 112.521 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -62.37 -38.84 91.15 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 113.864 1.061 . . . . 30.42 113.864 -172.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -64.51 -28.93 69.99 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 113.376 0.88 . . . . 35.53 113.376 178.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . 0.639 ' HB3' HD11 ' A' ' 101' ' ' ILE . 65.4 m-20 -81.33 -3.78 53.66 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 114.722 1.378 . . . . 32.31 114.722 -177.419 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 mm -111.1 94.38 3.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 105.135 -2.172 . . . . 32.05 105.135 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -103.05 129.48 49.86 Favored 'General case' 0 CA--C 1.505 -0.76 0 C-N-CA 118.191 -1.404 . . . . 22.42 110.365 -170.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.0 t -87.06 112.4 23.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.137 -2.172 . . . . 18.78 105.137 172.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.6 t -96.95 140.99 16.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 105.778 -1.934 . . . . 24.42 105.778 176.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.0 p -115.69 144.91 43.27 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 119.583 -0.847 . . . . 26.88 112.121 170.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -85.57 -170.77 3.27 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 119.133 -1.027 . . . . 26.01 110.63 176.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.3 mtm -68.63 -16.98 64.02 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.708 1.003 . . . . 27.61 113.708 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 -99.08 4.63 47.06 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.048 0.842 . . . . 30.67 113.051 176.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.6 11.62 83.85 Favored Glycine 0 CA--C 1.533 1.167 0 N-CA-C 115.311 0.884 . . . . 26.83 115.311 178.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -68.98 134.88 89.67 Favored Pre-proline 0 N--CA 1.471 0.597 0 CA-C-N 118.433 1.116 . . . . 25.74 108.458 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -85.33 143.98 9.04 Favored 'Trans proline' 0 C--O 1.166 -3.08 0 C-N-CA 121.819 1.679 . . . . 22.45 111.728 177.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -147.95 137.6 22.47 Favored 'General case' 0 C--O 1.192 -1.921 0 C-N-CA 124.231 1.013 . . . . 38.02 110.098 171.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 56.0 t -87.62 134.1 28.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.086 -0.646 . . . . 23.81 109.723 -179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -120.58 127.56 52.25 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 104.678 -2.341 . . . . 44.17 104.678 172.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.7 mt -98.37 145.9 26.24 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 112.531 0.567 . . . . 27.45 112.531 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.9 p -132.12 178.95 6.41 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 124.631 1.207 . . . . 30.1 109.432 169.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.29 -151.71 52.43 Favored Glycine 0 C--N 1.347 1.148 0 C-N-CA 121.111 -0.566 . . . . 30.19 114.031 169.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . 0.598 ' O ' ' HD2' ' A' ' 104' ' ' TYR . . . -70.53 -40.46 73.46 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.859 0.689 . . . . 32.71 112.859 -172.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ILE . . . . . 0.639 HD11 ' HB3' ' A' ' 82' ' ' ASP . 2.1 pp -61.53 -27.85 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 114.321 1.23 . . . . 36.03 114.321 174.322 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.34 73.64 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.631 -0.828 . . . . 34.67 109.492 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.01 -55.06 16.04 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 124.054 0.846 . . . . 43.37 110.693 175.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' TYR . . . . . 0.956 ' CD1' ' HE2' ' A' ' 74' ' ' MET . 97.7 m-85 -56.33 -38.1 70.86 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.397 0.888 . . . . 46.64 113.397 -177.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . 0.714 HD21 ' CD1' ' A' ' 64' ' ' TRP . 93.8 mt -104.43 27.38 7.92 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.24 0.83 . . . . 38.02 113.24 -177.335 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -44.39 -45.38 8.91 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 117.771 2.508 . . . . 36.89 117.771 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -97.93 4.58 49.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.659 0.985 . . . . 48.79 113.659 -176.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.0 t -91.9 130.71 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 115.782 -0.645 . . . . 31.9 112.678 -170.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.4 m -91.63 131.93 36.69 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.403 -1.332 . . . . 27.95 107.403 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 76.8 mt -110.62 128.3 67.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.455 -0.572 . . . . 22.66 109.455 -179.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -112.98 132.22 55.45 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 107.347 -1.353 . . . . 21.78 107.347 173.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.0 m -134.67 160.11 41.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.713 -0.395 . . . . 20.05 111.258 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.8 t -148.93 144.3 26.74 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 107.768 -1.197 . . . . 13.92 107.768 170.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.5 mp -124.24 151.84 43.67 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.73 -0.841 . . . . 12.7 108.73 -175.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 15.0 t -150.91 150.7 31.18 Favored 'General case' 0 C--O 1.249 1.043 0 CA-C-N 115.959 -0.564 . . . . 15.6 110.067 173.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HIS . . . . . 0.433 ' CE1' H52A ' A' ' 150' ' ' COA . 0.3 OUTLIER -145.17 125.02 13.41 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.659 -0.867 . . . . 17.51 108.659 171.214 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -139.72 120.07 13.93 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 106.201 -1.777 . . . . 26.27 106.201 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 58.89 -128.3 47.35 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.236 -1.946 . . . . 16.74 108.236 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -84.93 6.52 24.64 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.035 1.495 . . . . 18.08 115.035 -175.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 87.4 m -128.45 128.79 45.08 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 113.197 0.814 . . . . 15.07 113.197 -170.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.46 152.89 22.45 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 108.175 -1.046 . . . . 15.24 108.175 171.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.72 162.98 35.38 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 118.971 -1.092 . . . . 15.45 110.538 172.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -151.61 154.25 36.04 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 119.892 -0.723 . . . . 13.11 109.389 174.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.9 p -130.15 146.67 33.72 Favored 'Isoleucine or valine' 0 C--O 1.26 1.641 0 N-CA-C 105.241 -2.133 . . . . 15.28 105.241 174.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -136.4 143.88 44.21 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 107.629 -1.249 . . . . 16.28 107.629 175.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 57.6 mt -129.65 126.71 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 106.675 -1.602 . . . . 17.78 106.675 172.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.2 mp -101.96 136.29 42.05 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 108.599 -0.889 . . . . 20.99 108.599 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -135.53 132.43 37.25 Favored 'General case' 0 C--O 1.173 -2.926 0 CA-C-N 114.594 -1.185 . . . . 30.53 110.147 -173.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ALA . . . . . 0.576 ' HB1' ' CD ' ' A' ' 130' ' ' PRO . . . -125.15 -167.87 0.13 Allowed Pre-proline 0 C--O 1.197 -1.673 0 N-CA-C 113.38 0.881 . . . . 38.61 113.38 -175.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PRO . . . . . 0.576 ' CD ' ' HB1' ' A' ' 129' ' ' ALA . 50.1 Cg_exo . . . . . 0 CA--C 1.536 0.614 0 C-N-CA 121.97 1.78 . . . . 44.46 116.019 -176.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ' MG' . . . . . 1.239 'MG ' ' O ' ' A' ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' COA . . . . . 0.433 H52A ' CE1' ' A' ' 116' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . 1.239 ' O ' 'MG ' ' A' ' 131' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.017 0 CA-C-O 121.833 0.685 . . . . 26.76 112.929 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.3 mt -77.75 133.76 29.84 Favored 'Isoleucine or valine' 0 C--O 1.246 0.909 0 CA-C-O 121.608 0.718 . . . . 21.91 110.698 -177.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 53.0 t -82.46 -47.42 18.88 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 CA-C-O 121.766 0.793 . . . . 20.66 113.002 173.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.98 172.76 45.32 Favored Glycine 0 C--O 1.256 1.509 0 N-CA-C 110.181 -1.167 . . . . 16.48 110.181 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 p -135.34 148.27 28.67 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 CA-C-N 113.407 -1.396 . . . . 15.25 107.233 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.49 155.17 24.58 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 109.049 -1.62 . . . . 14.17 109.049 173.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 tt -138.88 153.82 25.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 106.128 -1.804 . . . . 14.15 106.128 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -152.61 137.5 17.14 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 119.496 -0.288 . . . . 16.42 110.339 176.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.5 mt -106.98 139.09 41.94 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.836 0.854 . . . . 18.01 110.506 167.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -130.81 127.03 61.09 Favored 'Isoleucine or valine' 0 C--O 1.251 1.181 0 N-CA-C 108.605 -0.887 . . . . 15.31 108.605 178.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 t -72.82 117.09 14.1 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 109.025 -0.732 . . . . 17.95 109.025 169.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.55 -50.7 77.32 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-O 118.674 -0.679 . . . . 17.51 112.595 -178.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -64.25 -39.17 31.48 Favored 'Trans proline' 0 N--CA 1.486 1.052 0 C-N-CA 116.09 -2.14 . . . . 20.77 111.386 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -66.67 -37.72 85.35 Favored 'General case' 0 CA--C 1.512 -0.495 0 C-N-CA 119.13 -1.028 . . . . 30.86 112.961 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -62.39 -42.89 99.77 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 123.75 0.656 . . . . 27.26 112.263 173.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.23 81.64 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 123.523 0.515 . . . . 20.19 110.287 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.21 -40.71 86.47 Favored 'General case' 0 C--O 1.259 1.573 0 CA-C-O 121.451 0.643 . . . . 23.26 111.663 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -63.28 -39.82 95.64 Favored 'General case' 0 C--O 1.196 -1.74 0 N-CA-C 115.961 1.837 . . . . 44.74 115.961 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 22.8 m -80.2 -17.28 12.65 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.582 0 N-CA-C 113.986 1.106 . . . . 33.11 113.986 177.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 20' ' ' VAL 0.43 0.6 OUTLIER . . . . . 0 C--O 1.255 1.38 1 N-CA-C 126.815 5.857 . . . . 43.79 126.815 154.962 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.485 0.183 . . . . 35.13 110.519 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -111.78 142.41 44.18 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 123.364 0.665 . . . . 28.47 110.205 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.4 p -78.96 163.77 58.54 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 123.567 0.542 . . . . 28.2 111.426 175.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -55.86 -41.56 76.03 Favored 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 120.445 0.764 . . . . 28.85 110.979 175.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.93 -50.89 60.65 Favored Glycine 0 N--CA 1.441 -1.011 0 O-C-N 123.776 0.673 . . . . 27.91 111.769 177.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -57.3 -49.02 77.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.493 1.294 . . . . 27.2 114.493 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -61.52 -42.68 99.17 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.163 -0.472 . . . . 42.53 112.219 178.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 ttp-105 -56.26 -52.07 65.81 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.259 0.836 . . . . 44.01 113.259 170.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -58.03 -39.05 77.39 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.871 0.367 . . . . 33.87 111.592 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.15 65.58 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 115.036 1.495 . . . . 33.76 115.036 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 114.385 1.254 . . . . 39.63 114.385 -173.845 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 116.822 2.156 . . . . 38.28 116.822 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.86 -33.03 75.03 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.787 1.032 . . . . 30.11 113.787 -176.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.37 -47.95 77.84 Favored 'General case' 0 C--O 1.198 -1.629 0 C-N-CA 122.772 0.429 . . . . 24.63 111.343 -171.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -43.9 -52.76 6.62 Favored 'General case' 0 C--O 1.257 1.475 0 CA-C-O 123.761 1.743 . . . . 20.46 112.432 172.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.672 ' HD2' ' O8A' ' A' ' 150' ' ' COA . 65.8 m80 -72.06 -42.63 66.03 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 113.336 -1.757 . . . . 23.07 111.71 -173.476 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.65 -41.31 96.2 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 112.292 0.479 . . . . 24.38 112.292 175.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.88 87.46 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 115.954 -0.566 . . . . 16.54 111.702 176.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.96 -33.33 73.53 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.244 -0.982 . . . . 15.11 111.555 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -68.46 -39.18 81.52 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.471 0.545 . . . . 18.61 112.471 173.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.23 -48.26 80.94 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 120.326 -0.55 . . . . 25.38 112.115 169.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.34 -41.13 79.42 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.105 0.479 . . . . 15.77 110.791 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.14 83.14 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.907 -0.496 . . . . 15.79 112.004 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -58.17 -46.73 85.22 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 121.061 0.458 . . . . 19.45 111.511 174.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.7 ' OE2' ' HE1' ' A' ' 80' ' ' HIS . 11.9 mm-40 -60.94 -39.57 89.94 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.737 1.014 . . . . 23.82 113.737 175.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.19 97.23 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 109.305 -0.628 . . . . 15.76 109.305 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.4 -46.3 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 123.368 0.417 . . . . 17.09 109.997 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.21 -45.11 88.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.03 0 CA-C-N 116.076 -0.511 . . . . 21.04 110.649 177.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -64.32 -40.57 96.17 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.028 -0.42 . . . . 17.12 110.008 -177.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.29 97.01 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.866 0.365 . . . . 20.83 111.114 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.714 ' CD1' HD21 ' A' ' 105' ' ' LEU . 26.4 t90 -73.26 -55.3 6.61 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.323 -0.951 . . . . 38.07 111.137 -178.273 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.5 t -58.75 -40.63 84.41 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 109.031 -0.729 . . . . 28.53 109.031 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.73 -34.02 35.78 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 116.235 -0.439 . . . . 28.33 113.95 174.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.3 p -73.27 -5.41 39.32 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.342 1.238 . . . . 26.52 114.342 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.0 mtp-105 -113.36 37.95 3.04 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.741 0.781 . . . . 38.64 111.066 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -49.84 132.19 22.36 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.345 -0.843 . . . . 27.51 110.343 176.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 69.09 8.72 7.0 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.181 1.178 . . . . 31.02 114.181 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -105.73 146.6 29.59 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.258 0.551 . . . . 48.31 111.775 173.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -60.23 133.4 90.52 Favored Pre-proline 0 CA--C 1.545 0.753 0 N-CA-C 108.868 -0.79 . . . . 44.14 108.868 173.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -56.1 151.18 44.0 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 124.211 3.274 . . . . 41.82 112.173 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' MET . . . . . 0.956 ' HE2' ' CD1' ' A' ' 104' ' ' TYR . 6.1 ttp . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 114.041 1.126 . . . . 49.58 114.041 -167.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.4 tt . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 112.521 0.563 . . . . 29.05 112.521 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.7 ' HE1' ' OE2' ' A' ' 58' ' ' GLU . 94.2 m-70 -62.37 -38.84 91.15 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 113.864 1.061 . . . . 30.42 113.864 -172.438 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -64.51 -28.93 69.99 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 113.376 0.88 . . . . 35.53 113.376 178.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.639 ' HB3' HD11 ' A' ' 101' ' ' ILE . 65.4 m-20 -81.33 -3.78 53.66 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 114.722 1.378 . . . . 32.31 114.722 -177.419 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.5 mm -111.1 94.38 3.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 105.135 -2.172 . . . . 32.05 105.135 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -103.05 129.48 49.86 Favored 'General case' 0 CA--C 1.505 -0.76 0 C-N-CA 118.191 -1.404 . . . . 22.42 110.365 -170.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.0 t -87.06 112.4 23.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.137 -2.172 . . . . 18.78 105.137 172.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.6 t -96.95 140.99 16.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 105.778 -1.934 . . . . 24.42 105.778 176.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.0 p -115.69 144.91 43.27 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 119.583 -0.847 . . . . 26.88 112.121 170.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -85.57 -170.77 3.27 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 119.133 -1.027 . . . . 26.01 110.63 176.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.3 mtm -68.63 -16.98 64.02 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.708 1.003 . . . . 27.61 113.708 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 -99.08 4.63 47.06 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.048 0.842 . . . . 30.67 113.051 176.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.6 11.62 83.85 Favored Glycine 0 CA--C 1.533 1.167 0 N-CA-C 115.311 0.884 . . . . 26.83 115.311 178.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -68.98 134.88 89.67 Favored Pre-proline 0 N--CA 1.471 0.597 0 CA-C-N 118.433 1.116 . . . . 25.74 108.458 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -85.33 143.98 9.04 Favored 'Trans proline' 0 C--O 1.166 -3.08 0 C-N-CA 121.819 1.679 . . . . 22.45 111.728 177.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -147.95 137.6 22.47 Favored 'General case' 0 C--O 1.192 -1.921 0 C-N-CA 124.231 1.013 . . . . 38.02 110.098 171.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 56.0 t -87.62 134.1 28.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.086 -0.646 . . . . 23.81 109.723 -179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -120.58 127.56 52.25 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 104.678 -2.341 . . . . 44.17 104.678 172.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.7 mt -98.37 145.9 26.24 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 112.531 0.567 . . . . 27.45 112.531 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.9 p -132.12 178.95 6.41 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 124.631 1.207 . . . . 30.1 109.432 169.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.29 -151.71 52.43 Favored Glycine 0 C--N 1.347 1.148 0 C-N-CA 121.111 -0.566 . . . . 30.19 114.031 169.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.598 ' O ' ' HD2' ' A' ' 104' ' ' TYR . . . -70.53 -40.46 73.46 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 112.859 0.689 . . . . 32.71 112.859 -172.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.639 HD11 ' HB3' ' A' ' 82' ' ' ASP . 2.1 pp -61.53 -27.85 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 114.321 1.23 . . . . 36.03 114.321 174.322 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.34 73.64 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.631 -0.828 . . . . 34.67 109.492 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.01 -55.06 16.04 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 124.054 0.846 . . . . 43.37 110.693 175.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.956 ' CD1' ' HE2' ' A' ' 74' ' ' MET . 97.7 m-85 -56.33 -38.1 70.86 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.397 0.888 . . . . 46.64 113.397 -177.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.714 HD21 ' CD1' ' A' ' 64' ' ' TRP . 93.8 mt -104.43 27.38 7.92 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.24 0.83 . . . . 38.02 113.24 -177.335 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -44.39 -45.38 8.91 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 117.771 2.508 . . . . 36.89 117.771 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -97.93 4.58 49.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.659 0.985 . . . . 48.79 113.659 -176.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.0 t -91.9 130.71 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 115.782 -0.645 . . . . 31.9 112.678 -170.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.4 m -91.63 131.93 36.69 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.403 -1.332 . . . . 27.95 107.403 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 76.8 mt -110.62 128.3 67.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.455 -0.572 . . . . 22.66 109.455 -179.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.612 ' HE1' ' OE1' ' A' ' 128' ' ' GLU . 68.2 m80 -112.98 132.22 55.45 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 107.347 -1.353 . . . . 21.78 107.347 173.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.0 m -134.67 160.11 41.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.713 -0.395 . . . . 20.05 111.258 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.8 t -148.93 144.3 26.74 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 107.768 -1.197 . . . . 13.92 107.768 170.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.5 mp -124.24 151.84 43.67 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.73 -0.841 . . . . 12.7 108.73 -175.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 15.0 t -150.91 150.7 31.18 Favored 'General case' 0 C--O 1.249 1.043 0 CA-C-N 115.959 -0.564 . . . . 15.6 110.067 173.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.433 ' CE1' H52A ' A' ' 150' ' ' COA . 0.3 OUTLIER -145.17 125.02 13.41 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.659 -0.867 . . . . 17.51 108.659 171.214 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -139.72 120.07 13.93 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 106.201 -1.777 . . . . 26.27 106.201 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 58.89 -128.3 47.35 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.236 -1.946 . . . . 16.74 108.236 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -84.93 6.52 24.64 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.035 1.495 . . . . 18.08 115.035 -175.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 87.4 m -128.45 128.79 45.08 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 113.197 0.814 . . . . 15.07 113.197 -170.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.46 152.89 22.45 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 108.175 -1.046 . . . . 15.24 108.175 171.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.72 162.98 35.38 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 118.971 -1.092 . . . . 15.45 110.538 172.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -151.61 154.25 36.04 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 119.892 -0.723 . . . . 13.11 109.389 174.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.9 p -130.15 146.67 33.72 Favored 'Isoleucine or valine' 0 C--O 1.26 1.641 0 N-CA-C 105.241 -2.133 . . . . 15.28 105.241 174.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -136.4 143.88 44.21 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 107.629 -1.249 . . . . 16.28 107.629 175.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 57.6 mt -129.65 126.71 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 106.675 -1.602 . . . . 17.78 106.675 172.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.2 mp -101.96 136.29 42.05 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 108.599 -0.889 . . . . 20.99 108.599 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.612 ' OE1' ' HE1' ' A' ' 111' ' ' HIS . 25.1 tt0 -135.53 132.43 37.25 Favored 'General case' 0 C--O 1.173 -2.926 0 CA-C-N 114.594 -1.185 . . . . 30.53 110.147 -173.113 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.576 ' HB1' ' CD ' ' A' ' 130' ' ' PRO . . . -125.15 -167.87 0.13 Allowed Pre-proline 0 C--O 1.197 -1.673 0 N-CA-C 113.38 0.881 . . . . 38.61 113.38 -175.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.576 ' CD ' ' HB1' ' A' ' 129' ' ' ALA . 50.1 Cg_exo . . . . . 0 CA--C 1.536 0.614 0 C-N-CA 121.97 1.78 . . . . 44.46 116.019 -176.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ' MG' . . . . . 1.239 'MG ' ' O ' ' A' ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' COA . . . . . 0.672 ' O8A' ' HD2' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . 1.239 ' O ' 'MG ' ' A' ' 131' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . 0.475 ' O ' ' HD2' ' A' ' 111' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_