data_3isy_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 3isy _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 ' 3' ' ' ASN . . . . . 0.454 ' ND2' ' N ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.18 0 N-CA-C 115.061 1.504 . . . . 80.6 115.061 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -80.64 142.83 33.61 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.757 0.708 . . . . 86.34 111.072 170.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.97 -38.88 61.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.008 0.744 . . . . 60.37 113.008 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.23 140.66 48.07 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 N-CA-C 108.933 -0.765 . . . . 47.11 108.933 -178.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -137.0 130.71 45.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 123.543 0.737 . . . . 41.78 109.681 -175.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.9 tp -109.5 127.02 54.14 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 109.473 -0.566 . . . . 41.8 109.473 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -111.21 145.78 38.1 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.426 0.631 . . . . 51.34 111.778 175.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mt -127.96 137.22 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 N-CA-C 106.689 -1.597 . . . . 41.66 106.689 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -129.34 125.22 36.19 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 105.571 -2.011 . . . . 73.06 105.571 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.7 127.01 53.51 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 106.71 -1.589 . . . . 43.78 106.71 -179.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.11 118.01 42.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.357 -0.979 . . . . 48.18 108.357 -171.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -72.89 124.96 26.46 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.598 -0.89 . . . . 54.52 108.598 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -112.87 171.57 4.22 Favored Pre-proline 0 C--O 1.248 1.006 0 N-CA-C 108.953 -0.758 . . . . 66.97 108.953 173.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.92 -65.72 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -1.028 0 N-CA-C 113.976 0.722 . . . . 57.38 113.976 174.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . . . -85.48 -3.61 58.91 Favored 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 115.45 1.648 . . . . 58.81 115.45 -175.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -170.84 173.77 5.1 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.234 -0.916 . . . . 62.72 113.193 -165.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.0 mm -115.3 133.82 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 107.374 -1.343 . . . . 48.41 107.374 172.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -110.11 137.05 48.39 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 122.255 0.222 . . . . 73.26 111.569 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -118.89 121.32 39.7 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.958 -0.565 . . . . 45.46 110.282 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -111.55 131.28 55.36 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 107.149 -1.426 . . . . 45.31 107.149 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' MSE . . . . . . . . . . . . . 4.7 mpp? -125.03 153.31 43.05 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 114.491 -1.231 . . . . 34.44 110.102 -178.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -143.85 119.81 10.65 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.738 -1.119 . . . . 43.12 108.856 170.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.9 tp -93.48 116.18 28.71 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 107.383 -1.34 . . . . 41.13 107.383 172.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -113.19 127.88 56.31 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.249 0.62 . . . . 45.66 111.529 -169.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -90.47 106.38 18.46 Favored 'General case' 0 C--O 1.248 0.986 0 N-CA-C 104.929 -2.249 . . . . 38.28 104.929 172.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -94.85 0.57 54.94 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 115.505 1.669 . . . . 67.9 115.505 175.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 p -78.23 172.37 13.68 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.509 0.671 . . . . 37.95 110.878 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -84.2 -0.28 51.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.75 -0.659 . . . . 40.58 112.464 172.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -123.63 156.36 35.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.323 0.86 . . . . 50.43 113.323 -175.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.91 142.18 47.87 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.956 -1.498 . . . . 32.36 106.956 174.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.0 mt -127.81 126.87 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 122.611 0.365 . . . . 36.01 110.127 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -92.7 132.18 37.14 Favored 'General case' 0 C--O 1.211 -0.931 0 C-N-CA 122.459 0.304 . . . . 50.41 111.063 177.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -114.37 138.75 50.15 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 125.656 1.583 . . . . 40.3 108.555 172.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -118.19 145.01 45.27 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 115.429 -0.805 . . . . 67.13 109.238 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 1.2 m-85 -128.2 149.32 50.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.963 -1.866 . . . . 40.82 105.963 178.468 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 p -99.91 -14.55 18.68 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 124.183 0.927 . . . . 39.55 112.189 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 p -133.77 172.91 12.13 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 121.348 0.594 . . . . 32.78 109.463 168.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.65 -25.32 60.94 Favored Glycine 0 C--O 1.252 1.273 0 CA-C-N 115.149 -0.932 . . . . 33.05 113.96 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -62.34 131.34 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.394 -0.595 . . . . 40.21 109.394 -174.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -98.69 -36.94 9.68 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 123.65 0.594 . . . . 38.06 111.016 -176.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -142.72 170.77 15.09 Favored 'General case' 0 C--O 1.261 1.709 0 CA-C-O 122.032 0.92 . . . . 44.55 112.599 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -125.74 145.18 50.3 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 114.09 -1.414 . . . . 37.35 109.646 163.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 tt -138.18 133.02 32.76 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 105.073 -2.195 . . . . 37.04 105.073 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.2 t -137.27 132.36 46.05 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 O-C-N 124.026 0.829 . . . . 42.26 109.833 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.5 t -108.36 115.21 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 N-CA-C 107.828 -1.175 . . . . 46.84 107.828 -177.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -99.43 145.22 27.65 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 123.36 0.664 . . . . 44.25 111.571 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 p30 -95.3 -176.49 3.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.114 -0.699 . . . . 43.63 109.114 174.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.5 p -64.25 -10.45 23.69 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 115.108 1.521 . . . . 52.45 115.108 -178.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -107.79 15.47 24.51 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.595 -0.691 . . . . 71.5 109.876 171.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.7 m80 59.21 23.86 12.23 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 114.349 1.241 . . . . 57.68 114.349 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -80.34 143.34 33.65 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.769 -1.567 . . . . 54.72 106.769 169.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -74.18 124.02 25.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 119.244 -0.408 . . . . 50.87 110.661 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -96.78 -26.71 15.03 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 114.647 1.351 . . . . 61.2 114.647 171.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -150.33 140.76 22.4 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.717 -0.846 . . . . 41.79 108.717 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -138.93 117.4 12.05 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 124.682 1.239 . . . . 47.08 108.636 171.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -51.55 -42.28 61.7 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 122.821 1.296 . . . . 43.27 111.115 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -65.42 -30.19 70.96 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 113.535 -1.666 . . . . 48.31 114.66 -177.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . . . -62.2 138.3 58.39 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 106.731 -1.581 . . . . 44.45 106.731 -177.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 77.24 13.28 2.04 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 114.552 1.316 . . . . 83.78 114.552 176.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -125.17 148.52 48.56 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 112.961 0.726 . . . . 44.17 112.961 -178.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' MSE . . . . . . . . . . . . . 29.1 mtm -121.56 131.37 54.09 Favored 'General case' 0 C--O 1.26 1.627 0 CA-C-N 114.977 -1.011 . . . . 38.64 109.679 177.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -117.42 145.38 44.16 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.885 -1.052 . . . . 36.66 110.053 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.4 m -70.81 144.44 50.8 Favored 'General case' 0 N--CA 1.434 -1.236 0 C-N-CA 125.721 1.608 . . . . 41.78 108.516 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -91.51 66.75 5.46 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 107.205 -1.406 . . . . 71.94 107.205 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.08 134.27 53.73 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.365 -1.717 . . . . 49.31 106.365 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -71.31 149.55 46.01 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 106.969 -1.493 . . . . 77.7 106.969 168.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -135.4 152.3 51.28 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 109.561 -0.533 . . . . 40.0 109.561 175.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 125' ' ' HOH . 58.6 m-80 -134.54 112.75 11.13 Favored 'General case' 0 CA--C 1.476 -1.871 0 N-CA-C 108.145 -1.057 . . . . 73.84 108.145 -179.881 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 tp -120.48 135.5 55.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.751 1.282 . . . . 56.27 112.473 -175.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.3 m -113.09 121.12 43.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.453 -1.314 . . . . 36.49 107.453 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.6 mt -93.23 113.73 26.02 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.908 0.861 . . . . 46.78 109.914 165.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -66.47 159.65 26.67 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.366 0.603 . . . . 45.39 110.504 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.9 t -47.59 116.41 1.44 Allowed 'General case' 0 C--O 1.265 1.871 0 CA-C-N 114.407 -1.27 . . . . 39.97 108.322 169.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.36 -18.59 57.09 Favored Glycine 0 N--CA 1.473 1.166 0 N-CA-C 116.327 1.291 . . . . 33.73 116.327 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -73.74 151.16 40.74 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 122.553 0.341 . . . . 40.83 111.058 -176.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.6 p -119.34 147.03 44.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.01 1.324 . . . . 40.26 107.969 176.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -105.99 113.76 27.5 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 104.615 -2.365 . . . . 61.22 104.615 167.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -101.09 140.05 35.92 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 108.759 -0.83 . . . . 52.82 108.759 -176.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -159.02 152.9 23.28 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 114.905 -1.043 . . . . 45.17 111.04 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.7 p -143.81 172.57 12.65 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 114.144 1.164 . . . . 47.26 114.144 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -153.57 153.69 32.85 Favored 'General case' 0 CA--C 1.486 -1.507 0 N-CA-C 108.638 -0.875 . . . . 43.26 108.638 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.99 130.05 71.35 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 O-C-N 124.879 1.362 . . . . 50.72 111.857 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -97.03 117.12 30.49 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 102.475 -3.158 . . . . 54.53 102.475 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -90.96 37.67 0.93 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 114.79 1.404 . . . . 66.7 114.79 -163.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 9.1 pt-20 -163.23 118.55 1.71 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 120.845 0.355 . . . . 82.22 110.527 172.037 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.45 132.2 95.07 Favored Pre-proline 0 N--CA 1.44 -0.951 0 N-CA-C 106.357 -1.72 . . . . 61.71 106.357 172.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -92.03 -168.01 0.22 Allowed 'Trans proline' 0 N--CA 1.45 -1.08 0 N-CA-C 108.383 -1.43 . . . . 61.22 108.383 174.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 25.5 pm0 -75.7 152.41 85.08 Favored Pre-proline 0 CA--C 1.487 -1.45 0 C-N-CA 120.953 -0.299 . . . . 61.23 110.648 -178.582 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -47.91 146.12 9.24 Favored 'Trans proline' 0 N--CA 1.442 -1.51 0 O-C-N 123.502 1.264 . . . . 56.0 114.241 173.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 147.79 174.17 19.44 Favored Glycine 0 C--O 1.243 0.71 0 CA-C-N 114.806 -1.088 . . . . 53.88 110.486 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 m -95.14 138.63 32.58 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 108.967 -0.753 . . . . 50.49 108.967 176.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -134.28 168.51 18.74 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 124.543 1.152 . . . . 51.21 110.053 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -128.42 131.93 48.46 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.804 0.441 . . . . 61.26 111.005 176.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.6 p -106.93 128.72 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 107.639 -1.245 . . . . 42.33 107.639 173.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . . . -116.59 116.95 28.55 Favored 'General case' 0 C--O 1.248 1.018 0 N-CA-C 106.569 -1.641 . . . . 44.27 106.569 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 71.9 t -104.88 134.95 44.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 105.629 -1.989 . . . . 38.77 105.629 176.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 99.9 m -123.1 133.22 54.3 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 105.794 -1.928 . . . . 42.3 105.794 175.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -87.83 132.42 34.19 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 109.516 -0.55 . . . . 39.99 109.516 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -84.05 -18.93 35.36 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 113.276 0.843 . . . . 61.13 113.276 -174.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.98 144.24 41.14 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 119.763 -1.208 . . . . 40.16 111.611 174.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -117.29 117.19 28.87 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 124.119 0.967 . . . . 91.64 110.191 -176.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.19 143.72 28.4 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 107.591 -1.262 . . . . 51.51 107.591 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -67.68 133.2 48.91 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 109.213 -0.662 . . . . 84.43 109.213 177.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.6 m120 58.96 38.17 24.38 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 115.194 1.553 . . . . 76.62 115.194 -174.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mp -134.69 130.1 35.78 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.297 -0.865 . . . . 56.99 109.035 170.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -50.98 144.58 8.52 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 105.133 -2.173 . . . . 74.25 105.133 163.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -53.99 142.18 25.71 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.886 0.312 . . . . 80.73 110.16 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.5 t -89.65 114.06 26.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 C-N-CA 119.35 -0.94 . . . . 44.69 110.212 -175.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -137.5 152.7 49.79 Favored 'General case' 0 C--O 1.197 -1.666 0 C-N-CA 119.222 -0.991 . . . . 71.81 112.642 169.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -132.23 153.4 50.65 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.28 1.032 . . . . 40.27 109.643 174.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.17 156.87 26.87 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 N-CA-C 109.475 -0.565 . . . . 41.1 109.475 170.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -153.38 115.75 4.41 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 122.001 -0.437 . . . . 43.03 110.83 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -69.06 147.52 51.39 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.543 -0.91 . . . . 70.21 108.543 171.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -158.9 144.1 16.15 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.802 -1.184 . . . . 51.76 107.802 175.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -98.7 133.53 42.9 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-O 119.47 -0.3 . . . . 86.14 110.926 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.9 t -92.67 129.79 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 103.844 -2.65 . . . . 61.57 103.844 164.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 81.5 mttt . . . . . 0 C--N 1.324 -0.54 0 N-CA-C 107.334 -1.358 . . . . 78.04 107.334 178.567 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . 0.496 ' O ' ' ND2' ' A' ' 70' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' 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 build full ' A' A ' 3' ' ' ASN . . . . . 0.676 ' N ' HD22 ' A' ' 3' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.18 0 N-CA-C 115.061 1.504 . . . . 80.6 115.061 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -80.64 142.83 33.61 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.757 0.708 . . . . 86.34 111.072 170.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.97 -38.88 61.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.008 0.744 . . . . 60.37 113.008 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.23 140.66 48.07 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 N-CA-C 108.933 -0.765 . . . . 47.11 108.933 -178.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -137.0 130.71 45.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 123.543 0.737 . . . . 41.78 109.681 -175.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.9 tp -109.5 127.02 54.14 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 109.473 -0.566 . . . . 41.8 109.473 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 23' ' ' MSE . 2.5 m -111.21 145.78 38.1 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.426 0.631 . . . . 51.34 111.778 175.443 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mt -127.96 137.22 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 N-CA-C 106.689 -1.597 . . . . 41.66 106.689 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -129.34 125.22 36.19 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 105.571 -2.011 . . . . 73.06 105.571 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.7 127.01 53.51 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 106.71 -1.589 . . . . 43.78 106.71 -179.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.11 118.01 42.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.357 -0.979 . . . . 48.18 108.357 -171.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -72.89 124.96 26.46 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.598 -0.89 . . . . 54.52 108.598 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -112.87 171.57 4.22 Favored Pre-proline 0 C--O 1.248 1.006 0 N-CA-C 108.953 -0.758 . . . . 66.97 108.953 173.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.92 -65.72 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -1.028 0 N-CA-C 113.976 0.722 . . . . 57.38 113.976 174.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . . . -85.48 -3.61 58.91 Favored 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 115.45 1.648 . . . . 58.81 115.45 -175.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -170.84 173.77 5.1 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.234 -0.916 . . . . 62.72 113.193 -165.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.0 mm -115.3 133.82 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 107.374 -1.343 . . . . 48.41 107.374 172.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -110.11 137.05 48.39 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 122.255 0.222 . . . . 73.26 111.569 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -118.89 121.32 39.7 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.958 -0.565 . . . . 45.46 110.282 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -111.55 131.28 55.36 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 107.149 -1.426 . . . . 45.31 107.149 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' MSE . . . . . 0.418 ' HA ' ' O ' ' A' ' 9' ' ' SER . 4.7 mpp? -125.03 153.31 43.05 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 114.491 -1.231 . . . . 34.44 110.102 -178.499 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -143.85 119.81 10.65 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.738 -1.119 . . . . 43.12 108.856 170.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.9 tp -93.48 116.18 28.71 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 107.383 -1.34 . . . . 41.13 107.383 172.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' HD3' HG22 ' A' ' 78' ' ' THR . 48.6 tptt -113.19 127.88 56.31 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.249 0.62 . . . . 45.66 111.529 -169.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -90.47 106.38 18.46 Favored 'General case' 0 C--O 1.248 0.986 0 N-CA-C 104.929 -2.249 . . . . 38.28 104.929 172.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -94.85 0.57 54.94 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 115.505 1.669 . . . . 67.9 115.505 175.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 p -78.23 172.37 13.68 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.509 0.671 . . . . 37.95 110.878 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -84.2 -0.28 51.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.75 -0.659 . . . . 40.58 112.464 172.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -123.63 156.36 35.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.323 0.86 . . . . 50.43 113.323 -175.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.91 142.18 47.87 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.956 -1.498 . . . . 32.36 106.956 174.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.0 mt -127.81 126.87 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 122.611 0.365 . . . . 36.01 110.127 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -92.7 132.18 37.14 Favored 'General case' 0 C--O 1.211 -0.931 0 C-N-CA 122.459 0.304 . . . . 50.41 111.063 177.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -114.37 138.75 50.15 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 125.656 1.583 . . . . 40.3 108.555 172.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -118.19 145.01 45.27 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 115.429 -0.805 . . . . 67.13 109.238 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 1.2 m-85 -128.2 149.32 50.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.963 -1.866 . . . . 40.82 105.963 178.468 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 p -99.91 -14.55 18.68 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 124.183 0.927 . . . . 39.55 112.189 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 p -133.77 172.91 12.13 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 121.348 0.594 . . . . 32.78 109.463 168.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.65 -25.32 60.94 Favored Glycine 0 C--O 1.252 1.273 0 CA-C-N 115.149 -0.932 . . . . 33.05 113.96 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -62.34 131.34 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.394 -0.595 . . . . 40.21 109.394 -174.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -98.69 -36.94 9.68 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 123.65 0.594 . . . . 38.06 111.016 -176.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -142.72 170.77 15.09 Favored 'General case' 0 C--O 1.261 1.709 0 CA-C-O 122.032 0.92 . . . . 44.55 112.599 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -125.74 145.18 50.3 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 114.09 -1.414 . . . . 37.35 109.646 163.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 tt -138.18 133.02 32.76 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 105.073 -2.195 . . . . 37.04 105.073 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.2 t -137.27 132.36 46.05 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 O-C-N 124.026 0.829 . . . . 42.26 109.833 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.5 t -108.36 115.21 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 N-CA-C 107.828 -1.175 . . . . 46.84 107.828 -177.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -99.43 145.22 27.65 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 123.36 0.664 . . . . 44.25 111.571 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 p30 -95.3 -176.49 3.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.114 -0.699 . . . . 43.63 109.114 174.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.5 p -64.25 -10.45 23.69 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 115.108 1.521 . . . . 52.45 115.108 -178.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -107.79 15.47 24.51 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.595 -0.691 . . . . 71.5 109.876 171.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.7 m80 59.21 23.86 12.23 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 114.349 1.241 . . . . 57.68 114.349 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -80.34 143.34 33.65 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.769 -1.567 . . . . 54.72 106.769 169.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -74.18 124.02 25.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 119.244 -0.408 . . . . 50.87 110.661 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -96.78 -26.71 15.03 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 114.647 1.351 . . . . 61.2 114.647 171.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -150.33 140.76 22.4 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.717 -0.846 . . . . 41.79 108.717 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -138.93 117.4 12.05 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 124.682 1.239 . . . . 47.08 108.636 171.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -51.55 -42.28 61.7 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 122.821 1.296 . . . . 43.27 111.115 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -65.42 -30.19 70.96 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 113.535 -1.666 . . . . 48.31 114.66 -177.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . . . -62.2 138.3 58.39 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 106.731 -1.581 . . . . 44.45 106.731 -177.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 77.24 13.28 2.04 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 114.552 1.316 . . . . 83.78 114.552 176.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -125.17 148.52 48.56 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 112.961 0.726 . . . . 44.17 112.961 -178.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' MSE . . . . . . . . . . . . . 29.1 mtm -121.56 131.37 54.09 Favored 'General case' 0 C--O 1.26 1.627 0 CA-C-N 114.977 -1.011 . . . . 38.64 109.679 177.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -117.42 145.38 44.16 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.885 -1.052 . . . . 36.66 110.053 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.4 m -70.81 144.44 50.8 Favored 'General case' 0 N--CA 1.434 -1.236 0 C-N-CA 125.721 1.608 . . . . 41.78 108.516 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -91.51 66.75 5.46 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 107.205 -1.406 . . . . 71.94 107.205 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.08 134.27 53.73 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.365 -1.717 . . . . 49.31 106.365 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . 0.499 ' HB3' ' O ' ' A' ' 125' ' ' HOH . 98.5 m-85 -71.31 149.55 46.01 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 106.969 -1.493 . . . . 77.7 106.969 168.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -135.4 152.3 51.28 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 109.561 -0.533 . . . . 40.0 109.561 175.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 125' ' ' HOH . 58.6 m-80 -134.54 112.75 11.13 Favored 'General case' 0 CA--C 1.476 -1.871 0 N-CA-C 108.145 -1.057 . . . . 73.84 108.145 -179.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 tp -120.48 135.5 55.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.751 1.282 . . . . 56.27 112.473 -175.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.3 m -113.09 121.12 43.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.453 -1.314 . . . . 36.49 107.453 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.6 mt -93.23 113.73 26.02 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.908 0.861 . . . . 46.78 109.914 165.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -66.47 159.65 26.67 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.366 0.603 . . . . 45.39 110.504 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.9 t -47.59 116.41 1.44 Allowed 'General case' 0 C--O 1.265 1.871 0 CA-C-N 114.407 -1.27 . . . . 39.97 108.322 169.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.36 -18.59 57.09 Favored Glycine 0 N--CA 1.473 1.166 0 N-CA-C 116.327 1.291 . . . . 33.73 116.327 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -73.74 151.16 40.74 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 122.553 0.341 . . . . 40.83 111.058 -176.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . 0.428 HG22 ' HD3' ' A' ' 26' ' ' LYS . 70.6 p -119.34 147.03 44.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.01 1.324 . . . . 40.26 107.969 176.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -105.99 113.76 27.5 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 104.615 -2.365 . . . . 61.22 104.615 167.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -101.09 140.05 35.92 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 108.759 -0.83 . . . . 52.82 108.759 -176.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -159.02 152.9 23.28 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 114.905 -1.043 . . . . 45.17 111.04 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.7 p -143.81 172.57 12.65 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 114.144 1.164 . . . . 47.26 114.144 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -153.57 153.69 32.85 Favored 'General case' 0 CA--C 1.486 -1.507 0 N-CA-C 108.638 -0.875 . . . . 43.26 108.638 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.99 130.05 71.35 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 O-C-N 124.879 1.362 . . . . 50.72 111.857 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -97.03 117.12 30.49 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 102.475 -3.158 . . . . 54.53 102.475 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -90.96 37.67 0.93 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 114.79 1.404 . . . . 66.7 114.79 -163.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 9.1 pt-20 -163.23 118.55 1.71 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 120.845 0.355 . . . . 82.22 110.527 172.037 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.45 132.2 95.07 Favored Pre-proline 0 N--CA 1.44 -0.951 0 N-CA-C 106.357 -1.72 . . . . 61.71 106.357 172.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -92.03 -168.01 0.22 Allowed 'Trans proline' 0 N--CA 1.45 -1.08 0 N-CA-C 108.383 -1.43 . . . . 61.22 108.383 174.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -75.7 152.41 85.08 Favored Pre-proline 0 CA--C 1.487 -1.45 0 C-N-CA 120.953 -0.299 . . . . 61.23 110.648 -178.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 118' ' ' VAL . 43.8 Cg_exo -47.91 146.12 9.24 Favored 'Trans proline' 0 N--CA 1.442 -1.51 0 O-C-N 123.502 1.264 . . . . 56.0 114.241 173.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 147.79 174.17 19.44 Favored Glycine 0 C--O 1.243 0.71 0 CA-C-N 114.806 -1.088 . . . . 53.88 110.486 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 m -95.14 138.63 32.58 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 108.967 -0.753 . . . . 50.49 108.967 176.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -134.28 168.51 18.74 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 124.543 1.152 . . . . 51.21 110.053 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -128.42 131.93 48.46 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.804 0.441 . . . . 61.26 111.005 176.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.6 p -106.93 128.72 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 107.639 -1.245 . . . . 42.33 107.639 173.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . . . -116.59 116.95 28.55 Favored 'General case' 0 C--O 1.248 1.018 0 N-CA-C 106.569 -1.641 . . . . 44.27 106.569 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 71.9 t -104.88 134.95 44.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 105.629 -1.989 . . . . 38.77 105.629 176.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 99.9 m -123.1 133.22 54.3 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 105.794 -1.928 . . . . 42.3 105.794 175.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -87.83 132.42 34.19 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 109.516 -0.55 . . . . 39.99 109.516 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -84.05 -18.93 35.36 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 113.276 0.843 . . . . 61.13 113.276 -174.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.98 144.24 41.14 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 119.763 -1.208 . . . . 40.16 111.611 174.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -117.29 117.19 28.87 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 124.119 0.967 . . . . 91.64 110.191 -176.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.19 143.72 28.4 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 107.591 -1.262 . . . . 51.51 107.591 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -67.68 133.2 48.91 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 109.213 -0.662 . . . . 84.43 109.213 177.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . 0.476 ' O ' HD12 ' A' ' 107' ' ' LEU . 1.6 m120 58.96 38.17 24.38 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 115.194 1.553 . . . . 76.62 115.194 -174.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 106' ' ' ASN . 3.8 mp -134.69 130.1 35.78 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.297 -0.865 . . . . 56.99 109.035 170.109 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -50.98 144.58 8.52 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 105.133 -2.173 . . . . 74.25 105.133 163.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -53.99 142.18 25.71 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.886 0.312 . . . . 80.73 110.16 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.5 t -89.65 114.06 26.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 C-N-CA 119.35 -0.94 . . . . 44.69 110.212 -175.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -137.5 152.7 49.79 Favored 'General case' 0 C--O 1.197 -1.666 0 C-N-CA 119.222 -0.991 . . . . 71.81 112.642 169.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -132.23 153.4 50.65 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.28 1.032 . . . . 40.27 109.643 174.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.17 156.87 26.87 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 N-CA-C 109.475 -0.565 . . . . 41.1 109.475 170.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -153.38 115.75 4.41 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 122.001 -0.437 . . . . 43.03 110.83 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -69.06 147.52 51.39 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.543 -0.91 . . . . 70.21 108.543 171.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -158.9 144.1 16.15 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.802 -1.184 . . . . 51.76 107.802 175.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -98.7 133.53 42.9 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-O 119.47 -0.3 . . . . 86.14 110.926 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 91' ' ' PRO . 86.9 t -92.67 129.79 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 103.844 -2.65 . . . . 61.57 103.844 164.918 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 81.5 mttt . . . . . 0 C--N 1.324 -0.54 0 N-CA-C 107.334 -1.358 . . . . 78.04 107.334 178.567 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . 0.499 ' O ' ' HB3' ' A' ' 68' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' 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 nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.676 ' N ' HD22 ' A' ' 3' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.18 0 N-CA-C 115.061 1.504 . . . . 80.6 115.061 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -80.64 142.83 33.61 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.757 0.708 . . . . 86.34 111.072 170.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.97 -38.88 61.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.008 0.744 . . . . 60.37 113.008 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.23 140.66 48.07 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 N-CA-C 108.933 -0.765 . . . . 47.11 108.933 -178.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -137.0 130.71 45.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 123.543 0.737 . . . . 41.78 109.681 -175.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.9 tp -109.5 127.02 54.14 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 109.473 -0.566 . . . . 41.8 109.473 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 23' ' ' MSE . 2.5 m -111.21 145.78 38.1 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.426 0.631 . . . . 51.34 111.778 175.443 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mt -127.96 137.22 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 N-CA-C 106.689 -1.597 . . . . 41.66 106.689 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -129.34 125.22 36.19 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 105.571 -2.011 . . . . 73.06 105.571 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.7 127.01 53.51 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 106.71 -1.589 . . . . 43.78 106.71 -179.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.11 118.01 42.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.357 -0.979 . . . . 48.18 108.357 -171.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -72.89 124.96 26.46 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.598 -0.89 . . . . 54.52 108.598 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -112.87 171.57 4.22 Favored Pre-proline 0 C--O 1.248 1.006 0 N-CA-C 108.953 -0.758 . . . . 66.97 108.953 173.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.92 -65.72 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -1.028 0 N-CA-C 113.976 0.722 . . . . 57.38 113.976 174.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . . . -85.48 -3.61 58.91 Favored 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 115.45 1.648 . . . . 58.81 115.45 -175.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -170.84 173.77 5.1 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.234 -0.916 . . . . 62.72 113.193 -165.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.0 mm -115.3 133.82 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 107.374 -1.343 . . . . 48.41 107.374 172.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -110.11 137.05 48.39 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 122.255 0.222 . . . . 73.26 111.569 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -118.89 121.32 39.7 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.958 -0.565 . . . . 45.46 110.282 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -111.55 131.28 55.36 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 107.149 -1.426 . . . . 45.31 107.149 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' MSE . . . . . 0.418 ' HA ' ' O ' ' A' ' 9' ' ' SER . 4.7 mpp? -125.03 153.31 43.05 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 114.491 -1.231 . . . . 34.44 110.102 -178.499 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -143.85 119.81 10.65 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.738 -1.119 . . . . 43.12 108.856 170.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.9 tp -93.48 116.18 28.71 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 107.383 -1.34 . . . . 41.13 107.383 172.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' HD3' HG22 ' A' ' 78' ' ' THR . 48.6 tptt -113.19 127.88 56.31 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.249 0.62 . . . . 45.66 111.529 -169.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -90.47 106.38 18.46 Favored 'General case' 0 C--O 1.248 0.986 0 N-CA-C 104.929 -2.249 . . . . 38.28 104.929 172.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -94.85 0.57 54.94 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 115.505 1.669 . . . . 67.9 115.505 175.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 p -78.23 172.37 13.68 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.509 0.671 . . . . 37.95 110.878 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -84.2 -0.28 51.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.75 -0.659 . . . . 40.58 112.464 172.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -123.63 156.36 35.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.323 0.86 . . . . 50.43 113.323 -175.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.91 142.18 47.87 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.956 -1.498 . . . . 32.36 106.956 174.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.0 mt -127.81 126.87 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 122.611 0.365 . . . . 36.01 110.127 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -92.7 132.18 37.14 Favored 'General case' 0 C--O 1.211 -0.931 0 C-N-CA 122.459 0.304 . . . . 50.41 111.063 177.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -114.37 138.75 50.15 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 125.656 1.583 . . . . 40.3 108.555 172.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -118.19 145.01 45.27 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 115.429 -0.805 . . . . 67.13 109.238 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 1.2 m-85 -128.2 149.32 50.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.963 -1.866 . . . . 40.82 105.963 178.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 p -99.91 -14.55 18.68 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 124.183 0.927 . . . . 39.55 112.189 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 p -133.77 172.91 12.13 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 121.348 0.594 . . . . 32.78 109.463 168.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.65 -25.32 60.94 Favored Glycine 0 C--O 1.252 1.273 0 CA-C-N 115.149 -0.932 . . . . 33.05 113.96 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -62.34 131.34 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.394 -0.595 . . . . 40.21 109.394 -174.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -98.69 -36.94 9.68 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 123.65 0.594 . . . . 38.06 111.016 -176.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -142.72 170.77 15.09 Favored 'General case' 0 C--O 1.261 1.709 0 CA-C-O 122.032 0.92 . . . . 44.55 112.599 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -125.74 145.18 50.3 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 114.09 -1.414 . . . . 37.35 109.646 163.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 tt -138.18 133.02 32.76 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 105.073 -2.195 . . . . 37.04 105.073 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.2 t -137.27 132.36 46.05 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 O-C-N 124.026 0.829 . . . . 42.26 109.833 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.5 t -108.36 115.21 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 N-CA-C 107.828 -1.175 . . . . 46.84 107.828 -177.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -99.43 145.22 27.65 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 123.36 0.664 . . . . 44.25 111.571 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 p30 -95.3 -176.49 3.81 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.114 -0.699 . . . . 43.63 109.114 174.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.5 p -64.25 -10.45 23.69 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 115.108 1.521 . . . . 52.45 115.108 -178.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -107.79 15.47 24.51 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.595 -0.691 . . . . 71.5 109.876 171.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.7 m80 59.21 23.86 12.23 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 114.349 1.241 . . . . 57.68 114.349 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -80.34 143.34 33.65 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.769 -1.567 . . . . 54.72 106.769 169.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -74.18 124.02 25.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 119.244 -0.408 . . . . 50.87 110.661 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -96.78 -26.71 15.03 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 114.647 1.351 . . . . 61.2 114.647 171.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -150.33 140.76 22.4 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.717 -0.846 . . . . 41.79 108.717 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -138.93 117.4 12.05 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 124.682 1.239 . . . . 47.08 108.636 171.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -51.55 -42.28 61.7 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 122.821 1.296 . . . . 43.27 111.115 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -65.42 -30.19 70.96 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 113.535 -1.666 . . . . 48.31 114.66 -177.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . . . -62.2 138.3 58.39 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 106.731 -1.581 . . . . 44.45 106.731 -177.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 77.24 13.28 2.04 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 114.552 1.316 . . . . 83.78 114.552 176.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -125.17 148.52 48.56 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 112.961 0.726 . . . . 44.17 112.961 -178.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' MSE . . . . . . . . . . . . . 29.1 mtm -121.56 131.37 54.09 Favored 'General case' 0 C--O 1.26 1.627 0 CA-C-N 114.977 -1.011 . . . . 38.64 109.679 177.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -117.42 145.38 44.16 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.885 -1.052 . . . . 36.66 110.053 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.4 m -70.81 144.44 50.8 Favored 'General case' 0 N--CA 1.434 -1.236 0 C-N-CA 125.721 1.608 . . . . 41.78 108.516 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -91.51 66.75 5.46 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 107.205 -1.406 . . . . 71.94 107.205 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.08 134.27 53.73 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.365 -1.717 . . . . 49.31 106.365 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.499 ' HB3' ' O ' ' A' ' 125' ' ' HOH . 98.5 m-85 -71.31 149.55 46.01 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 106.969 -1.493 . . . . 77.7 106.969 168.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -135.4 152.3 51.28 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 109.561 -0.533 . . . . 40.0 109.561 175.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 125' ' ' HOH . 58.6 m-80 -134.54 112.75 11.13 Favored 'General case' 0 CA--C 1.476 -1.871 0 N-CA-C 108.145 -1.057 . . . . 73.84 108.145 -179.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 tp -120.48 135.5 55.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.751 1.282 . . . . 56.27 112.473 -175.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.3 m -113.09 121.12 43.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.453 -1.314 . . . . 36.49 107.453 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.6 mt -93.23 113.73 26.02 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.908 0.861 . . . . 46.78 109.914 165.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -66.47 159.65 26.67 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.366 0.603 . . . . 45.39 110.504 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.9 t -47.59 116.41 1.44 Allowed 'General case' 0 C--O 1.265 1.871 0 CA-C-N 114.407 -1.27 . . . . 39.97 108.322 169.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.36 -18.59 57.09 Favored Glycine 0 N--CA 1.473 1.166 0 N-CA-C 116.327 1.291 . . . . 33.73 116.327 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -73.74 151.16 40.74 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 122.553 0.341 . . . . 40.83 111.058 -176.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . 0.428 HG22 ' HD3' ' A' ' 26' ' ' LYS . 70.6 p -119.34 147.03 44.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.01 1.324 . . . . 40.26 107.969 176.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -105.99 113.76 27.5 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 104.615 -2.365 . . . . 61.22 104.615 167.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -101.09 140.05 35.92 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 108.759 -0.83 . . . . 52.82 108.759 -176.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -159.02 152.9 23.28 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 114.905 -1.043 . . . . 45.17 111.04 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.7 p -143.81 172.57 12.65 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 114.144 1.164 . . . . 47.26 114.144 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -153.57 153.69 32.85 Favored 'General case' 0 CA--C 1.486 -1.507 0 N-CA-C 108.638 -0.875 . . . . 43.26 108.638 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.99 130.05 71.35 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 O-C-N 124.879 1.362 . . . . 50.72 111.857 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -97.03 117.12 30.49 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 102.475 -3.158 . . . . 54.53 102.475 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -90.96 37.67 0.93 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 114.79 1.404 . . . . 66.7 114.79 -163.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 9.1 pt-20 -163.23 118.55 1.71 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 120.845 0.355 . . . . 82.22 110.527 172.037 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.45 132.2 95.07 Favored Pre-proline 0 N--CA 1.44 -0.951 0 N-CA-C 106.357 -1.72 . . . . 61.71 106.357 172.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -92.03 -168.01 0.22 Allowed 'Trans proline' 0 N--CA 1.45 -1.08 0 N-CA-C 108.383 -1.43 . . . . 61.22 108.383 174.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -75.7 152.41 85.08 Favored Pre-proline 0 CA--C 1.487 -1.45 0 C-N-CA 120.953 -0.299 . . . . 61.23 110.648 -178.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 118' ' ' VAL . 43.8 Cg_exo -47.91 146.12 9.24 Favored 'Trans proline' 0 N--CA 1.442 -1.51 0 O-C-N 123.502 1.264 . . . . 56.0 114.241 173.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 147.79 174.17 19.44 Favored Glycine 0 C--O 1.243 0.71 0 CA-C-N 114.806 -1.088 . . . . 53.88 110.486 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 m -95.14 138.63 32.58 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 108.967 -0.753 . . . . 50.49 108.967 176.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -134.28 168.51 18.74 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 124.543 1.152 . . . . 51.21 110.053 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -128.42 131.93 48.46 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.804 0.441 . . . . 61.26 111.005 176.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.6 p -106.93 128.72 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 107.639 -1.245 . . . . 42.33 107.639 173.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . . . -116.59 116.95 28.55 Favored 'General case' 0 C--O 1.248 1.018 0 N-CA-C 106.569 -1.641 . . . . 44.27 106.569 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 71.9 t -104.88 134.95 44.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 105.629 -1.989 . . . . 38.77 105.629 176.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 99.9 m -123.1 133.22 54.3 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 105.794 -1.928 . . . . 42.3 105.794 175.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -87.83 132.42 34.19 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 109.516 -0.55 . . . . 39.99 109.516 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -84.05 -18.93 35.36 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 113.276 0.843 . . . . 61.13 113.276 -174.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.98 144.24 41.14 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 119.763 -1.208 . . . . 40.16 111.611 174.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -117.29 117.19 28.87 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 124.119 0.967 . . . . 91.64 110.191 -176.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.19 143.72 28.4 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 107.591 -1.262 . . . . 51.51 107.591 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -67.68 133.2 48.91 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 109.213 -0.662 . . . . 84.43 109.213 177.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.476 ' O ' HD12 ' A' ' 107' ' ' LEU . 1.6 m120 58.96 38.17 24.38 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 115.194 1.553 . . . . 76.62 115.194 -174.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 106' ' ' ASN . 3.8 mp -134.69 130.1 35.78 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 115.297 -0.865 . . . . 56.99 109.035 170.109 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -50.98 144.58 8.52 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 105.133 -2.173 . . . . 74.25 105.133 163.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -53.99 142.18 25.71 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.886 0.312 . . . . 80.73 110.16 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.5 t -89.65 114.06 26.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 C-N-CA 119.35 -0.94 . . . . 44.69 110.212 -175.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -137.5 152.7 49.79 Favored 'General case' 0 C--O 1.197 -1.666 0 C-N-CA 119.222 -0.991 . . . . 71.81 112.642 169.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -132.23 153.4 50.65 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.28 1.032 . . . . 40.27 109.643 174.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.17 156.87 26.87 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 N-CA-C 109.475 -0.565 . . . . 41.1 109.475 170.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -153.38 115.75 4.41 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 122.001 -0.437 . . . . 43.03 110.83 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -69.06 147.52 51.39 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.543 -0.91 . . . . 70.21 108.543 171.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -158.9 144.1 16.15 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.802 -1.184 . . . . 51.76 107.802 175.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -98.7 133.53 42.9 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-O 119.47 -0.3 . . . . 86.14 110.926 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 91' ' ' PRO . 86.9 t -92.67 129.79 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 103.844 -2.65 . . . . 61.57 103.844 164.918 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 81.5 mttt . . . . . 0 C--N 1.324 -0.54 0 N-CA-C 107.334 -1.358 . . . . 78.04 107.334 178.567 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . 0.499 ' O ' ' HB3' ' A' ' 68' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' 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 stop_ save_