data_3na4_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 3na4 _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 ' 0' ' ' MET . . . . . . . . . . . . . 3.2 ttp . . . . . 0 CA--C 1.549 0.937 0 N-CA-C 109.781 -0.451 . . . . 37.31 109.781 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.5 pt -135.06 158.87 41.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 109.242 -0.651 . . . . 27.29 109.242 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -130.73 133.56 46.15 Favored 'General case' 0 C--O 1.253 1.258 0 N-CA-C 104.251 -2.5 . . . . 24.52 104.251 166.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.9 mmt-85 -138.68 125.15 20.55 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 123.696 1.713 . . . . 40.18 108.671 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.2 m -81.19 141.18 49.72 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 114.834 -1.075 . . . . 20.23 110.795 -178.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -67.65 142.61 59.06 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 N-CA-C 114.903 1.078 . . . . 19.15 114.903 179.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -82.63 137.4 34.51 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 106.974 -1.491 . . . . 34.57 106.974 160.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.5 mt -125.68 117.53 49.56 Favored 'Isoleucine or valine' 0 C--O 1.25 1.126 0 CA-C-O 120.812 0.339 . . . . 22.83 110.213 -175.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -116.7 129.61 56.23 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 115.642 -0.708 . . . . 24.2 110.621 176.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 t -117.54 124.1 72.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.401 -0.963 . . . . 21.58 108.401 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -157.81 154.74 28.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.187 -0.605 . . . . 24.41 109.914 -173.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 p -85.9 154.15 21.72 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 108.333 -0.988 . . . . 22.06 108.333 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -63.18 -46.01 89.12 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.897 0.856 . . . . 33.68 110.79 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -121.94 167.18 14.39 Favored Pre-proline 0 CA--C 1.51 -0.576 0 N-CA-C 107.062 -1.459 . . . . 30.37 107.062 178.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -55.85 127.5 26.37 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 O-C-N 123.427 1.225 . . . . 31.75 110.61 177.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.1 131.07 43.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.307 0.854 . . . . 34.72 113.307 -173.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -128.64 120.14 26.01 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.638 -0.875 . . . . 39.09 108.638 175.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASN . . . . . 0.687 ' OD1' ' NH2' ' A' ' 97' ' ' ARG . 81.0 m-20 -49.09 128.96 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.804 -0.758 . . . . 38.87 110.067 -177.547 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.06 -0.37 89.81 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 115.933 1.133 . . . . 38.28 115.933 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -108.93 137.38 46.93 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.952 -0.734 . . . . 43.17 109.307 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.5 p -71.54 151.65 43.67 Favored 'General case' 0 C--O 1.208 -1.109 0 N-CA-C 107.867 -1.16 . . . . 37.96 107.867 -172.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . 0.464 ' ND2' ' N ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -166.25 -175.45 3.29 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 106.815 -1.55 . . . . 26.42 106.815 -166.715 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . 0.464 ' N ' ' ND2' ' A' ' 21' ' ' ASN . 60.5 m-85 -132.25 137.87 47.69 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 107.065 -1.458 . . . . 32.92 107.065 175.108 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 tp -99.78 125.37 45.69 Favored 'General case' 0 C--O 1.249 1.072 0 O-C-N 124.491 1.119 . . . . 26.8 109.961 172.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -101.41 155.83 17.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 26.35 112.213 -179.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' CSO . . . . . 1.084 ' OD ' ' SG ' ' A' ' 80' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -100.62 117.07 34.01 Favored 'General case' 1 C--N 1.509 7.504 0 C-N-CA 116.733 -1.987 . . . . 24.79 106.707 179.547 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.9 t -115.51 115.68 50.1 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.094 0 N-CA-C 103.759 -2.682 . . . . 20.97 103.759 -174.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.9 p -132.34 150.94 52.05 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 114.106 1.15 . . . . 20.6 114.106 -163.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 25.36 74.37 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 114.448 -1.251 . . . . 24.06 115.326 169.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -99.72 155.32 17.68 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 113.678 0.992 . . . . 18.99 113.678 -174.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -161.33 134.73 4.77 Favored Pre-proline 0 N--CA 1.433 -1.285 0 CA-C-N 113.503 -1.681 . . . . 21.72 106.784 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -71.29 -177.27 16.39 Favored 'Cis proline' 0 CA--C 1.54 0.777 0 N-CA-C 115.765 1.41 . . . . 19.11 115.765 -1.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.3 p -81.58 -19.82 41.16 Favored 'General case' 0 C--O 1.203 -1.36 0 N-CA-C 113.711 1.004 . . . . 20.38 113.711 -169.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.54 129.05 38.86 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.857 0.836 . . . . 30.85 109.141 -179.477 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.6 tt -164.95 158.27 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 O-C-N 120.617 -1.302 . . . . 20.36 109.396 -174.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -132.62 132.92 42.99 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 106.682 -1.599 . . . . 36.55 106.682 173.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -139.09 123.3 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 106.766 -1.568 . . . . 20.59 106.766 -174.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -134.31 148.75 50.81 Favored 'General case' 0 CA--C 1.492 -1.268 0 N-CA-C 109.131 -0.692 . . . . 27.32 109.131 -178.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' CD2' ' SG ' ' A' ' 25' ' ' CSO . 49.8 mt -93.74 136.99 33.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.661 1.226 . . . . 34.09 109.244 169.08 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 mt -115.69 137.59 51.93 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.97 0.908 . . . . 27.89 109.118 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -122.46 118.56 28.63 Favored 'General case' 0 C--O 1.25 1.082 0 N-CA-C 107.638 -1.245 . . . . 28.24 107.638 175.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.5 m120 47.57 39.96 10.67 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.293 0.568 . . . . 30.57 112.101 -172.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.03 -3.68 85.1 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 114.618 0.607 . . . . 27.32 114.618 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -104.78 145.5 30.29 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 117.008 0.404 . . . . 28.03 111.083 -178.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . 0.487 ' CD ' ' OE2' ' A' ' 47' ' ' GLU . 3.5 ttm180 -79.62 123.52 27.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.855 0.687 . . . . 41.88 112.855 -172.805 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.17 120.2 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 108.346 -0.983 . . . . 26.87 108.346 172.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' OE2' ' CD ' ' A' ' 45' ' ' ARG . 62.8 mm-40 -96.78 -38.41 9.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.965 -1.016 . . . . 40.12 112.539 -172.055 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -106.91 88.86 2.84 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.285 -0.566 . . . . 48.69 111.845 -165.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.1 t -108.76 130.97 60.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 114.838 -1.074 . . . . 44.97 109.579 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -79.33 -46.19 18.18 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.285 0.564 . . . . 43.14 110.453 -171.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -91.19 134.38 34.6 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 114.806 -1.088 . . . . 44.21 113.925 -172.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 m -63.31 150.14 89.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 41.67 110.377 169.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.05 157.83 60.22 Favored 'Trans proline' 0 N--CA 1.437 -1.809 0 C-N-CA 121.964 1.776 . . . . 27.72 110.871 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.0 tp -97.81 126.3 43.11 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 105.402 -2.073 . . . . 27.7 105.402 171.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -128.95 133.5 47.86 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.594 1.184 . . . . 22.53 111.494 -176.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -157.49 165.64 35.1 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 121.449 0.642 . . . . 22.4 110.669 175.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.2 p -121.42 146.51 46.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.803 -0.635 . . . . 24.48 109.954 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -136.71 104.38 5.5 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.147 -0.479 . . . . 30.93 110.687 168.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -90.3 -21.46 22.05 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 101.211 -3.625 . . . . 47.46 101.211 -44.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TRP . . . . . 0.827 ' CE3' ' O ' ' A' ' 150' ' ' HOH . 0.5 OUTLIER -91.12 -20.81 21.62 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.214 0.82 . . . . 43.49 113.214 177.484 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.16 149.63 21.37 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 120.941 0.4 . . . . 33.06 110.599 173.884 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -113.09 155.45 24.9 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.85 0.833 . . . . 20.61 110.7 175.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -138.54 142.46 39.28 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 113.511 -1.677 . . . . 29.03 109.115 -173.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.0 tp -145.25 127.26 15.53 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 115.93 -0.577 . . . . 27.78 110.35 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.4 tp -112.54 112.49 24.06 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 121.49 0.662 . . . . 25.64 109.251 171.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -117.1 124.19 48.61 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 105.674 -1.972 . . . . 34.47 105.674 -174.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -142.35 148.48 37.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.191 -1.004 . . . . 35.37 111.336 -173.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 t -144.43 150.05 37.04 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 118.588 -1.245 . . . . 34.05 111.992 174.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -65.23 145.41 56.27 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-O 122.525 1.155 . . . . 48.71 109.639 176.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -163.67 161.11 23.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.413 -1.267 . . . . 28.32 110.551 174.94 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -119.13 98.9 50.87 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 114.045 -1.434 . . . . 35.18 107.721 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.02 142.02 85.94 Favored 'Trans proline' 0 N--CA 1.454 -0.804 0 C-N-CA 118.294 -0.671 . . . . 32.26 112.361 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 65.5 p -125.15 168.56 13.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.748 -1.575 . . . . 36.9 106.748 168.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -64.02 -34.49 78.14 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.746 -0.661 . . . . 42.78 110.812 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -95.05 -14.34 24.37 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 116.88 2.178 . . . . 51.29 116.88 -171.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -84.09 130.63 34.85 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 119.795 -0.762 . . . . 30.37 111.497 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -108.14 134.69 50.65 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-O 121.508 0.671 . . . . 49.44 109.295 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -119.31 150.36 40.26 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 114.976 -1.011 . . . . 23.59 110.414 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.38 148.47 27.52 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 108.253 -1.017 . . . . 23.42 108.253 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . 1.084 ' SG ' ' OD ' ' A' ' 25' ' ' CSO . 23.7 t -98.32 133.79 42.24 Favored 'General case' 0 C--O 1.201 -1.456 0 N-CA-C 107.77 -1.196 . . . . 23.72 107.77 171.332 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -115.81 123.41 48.14 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 121.729 0.776 . . . . 31.44 110.734 173.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.9 t -119.39 134.8 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.297 0 CA-C-N 115.322 -0.854 . . . . 20.92 110.927 -177.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -122.79 142.62 50.54 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 118.936 -1.106 . . . . 35.09 111.492 167.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HIS . . . . . 0.535 ' CD2' ' OG1' ' A' ' 86' ' ' THR . 75.7 t60 -162.62 157.83 22.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 104.695 -2.335 . . . . 17.39 104.695 -170.161 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 m -67.91 -20.97 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 122.784 0.434 . . . . 22.12 111.288 -176.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' THR . . . . . 0.535 ' OG1' ' CD2' ' A' ' 84' ' ' HIS . 66.1 p -77.38 -3.44 40.19 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.184 1.179 . . . . 21.58 114.184 179.064 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.0 mt -110.85 133.64 53.2 Favored 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 109.378 -0.601 . . . . 22.78 109.378 -175.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.1 p -82.09 -16.43 50.05 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 118.713 -1.195 . . . . 29.1 109.898 -174.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -153.6 161.52 28.95 Favored Pre-proline 0 N--CA 1.438 -1.07 0 N-CA-C 105.178 -2.156 . . . . 31.83 105.178 174.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -54.25 138.3 72.11 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 117.224 -1.384 . . . . 25.28 113.997 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -94.58 124.09 38.4 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 120.975 -0.29 . . . . 37.88 111.202 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.5 mt -110.18 117.81 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 108.854 -0.795 . . . . 31.02 108.854 179.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.85 120.24 61.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 122.113 0.959 . . . . 23.15 110.792 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -77.93 144.59 36.7 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 121.394 -0.816 . . . . 35.74 110.113 -175.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.71 120.9 16.99 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 106.426 -1.694 . . . . 27.92 106.426 171.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -100.79 101.24 12.04 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 106.226 -1.768 . . . . 44.56 106.226 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ARG . . . . . 0.687 ' NH2' ' OD1' ' A' ' 17' ' ' ASN . 25.1 ttt180 . . . . . 0 N--CA 1.427 -1.625 0 CA-C-N 113.965 -1.471 . . . . 45.54 109.072 -178.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' PE4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud 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 orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' 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 ' 150' ' ' HOH . . . . . 0.827 ' O ' ' CE3' ' A' ' 60' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.2 ttp . . . . . 0 CA--C 1.549 0.937 0 N-CA-C 109.781 -0.451 . . . . 37.310000000000002 109.781 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.5 pt -135.06 158.87 41.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 109.242 -0.651 . . . . 27.289999999999999 109.242 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -130.73 133.56 46.15 Favored 'General case' 0 C--O 1.253 1.258 0 N-CA-C 104.251 -2.5 . . . . 24.52 104.251 166.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.9 mmt-85 -138.68 125.15 20.55 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 123.696 1.713 . . . . 40.18 108.671 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.2 m -81.19 141.18 49.72 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 114.834 -1.075 . . . . 20.23 110.795 -178.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -67.65 142.61 59.06 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 N-CA-C 114.903 1.078 . . . . 19.149999999999999 114.903 179.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -82.63 137.4 34.51 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 106.974 -1.491 . . . . 34.57 106.974 160.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . 0.681 HD12 ' HD3' ' A' ' 91' ' ' LYS . 29.5 mt -125.68 117.53 49.56 Favored 'Isoleucine or valine' 0 C--O 1.25 1.126 0 CA-C-O 120.812 0.339 . . . . 22.829999999999998 110.213 -175.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -116.7 129.61 56.23 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 115.642 -0.708 . . . . 24.199999999999999 110.621 176.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 t -117.54 124.1 72.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.401 -0.963 . . . . 21.579999999999998 108.401 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -157.81 154.74 28.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.187 -0.605 . . . . 24.41 109.914 -173.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 p -85.9 154.15 21.72 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 108.333 -0.988 . . . . 22.059999999999999 108.333 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -63.18 -46.01 89.12 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.897 0.856 . . . . 33.68 110.79 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -121.94 167.18 14.39 Favored Pre-proline 0 CA--C 1.51 -0.576 0 N-CA-C 107.062 -1.459 . . . . 30.370000000000001 107.062 178.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -55.85 127.5 26.37 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 O-C-N 123.427 1.225 . . . . 31.75 110.61 177.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.1 131.07 43.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.307 0.854 . . . . 34.719999999999999 113.307 -173.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -128.64 120.14 26.01 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.638 -0.875 . . . . 39.090000000000003 108.638 175.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASN . . . . . 0.624 ' OD1' ' NH2' ' A' ' 97' ' ' ARG . 81.0 m-20 -49.09 128.96 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.804 -0.758 . . . . 38.869999999999997 110.067 -177.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.06 -0.37 89.81 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 115.933 1.133 . . . . 38.280000000000001 115.933 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -108.93 137.38 46.93 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.952 -0.734 . . . . 43.170000000000002 109.307 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . 0.637 ' HB2' ' OE2' ' A' ' 69' ' ' GLU . 59.5 p -71.54 151.65 43.67 Favored 'General case' 0 C--O 1.208 -1.109 0 N-CA-C 107.867 -1.16 . . . . 37.960000000000001 107.867 -172.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -166.25 -175.45 3.29 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 106.815 -1.55 . . . . 26.420000000000002 106.815 -166.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -132.25 137.87 47.69 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 107.065 -1.458 . . . . 32.920000000000002 107.065 175.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 tp -99.78 125.37 45.69 Favored 'General case' 0 C--O 1.249 1.072 0 O-C-N 124.491 1.119 . . . . 26.800000000000001 109.961 172.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -101.41 155.83 17.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 26.350000000000001 112.213 -179.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' CSO . . . . . 0.729 ' SG ' HD21 ' A' ' 39' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -100.62 117.07 34.01 Favored 'General case' 1 C--N 1.509 7.504 0 C-N-CA 116.733 -1.987 . . . . 24.789999999999999 106.707 179.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.9 t -115.51 115.68 50.1 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.094 0 N-CA-C 103.759 -2.682 . . . . 20.969999999999999 103.759 -174.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.9 p -132.34 150.94 52.05 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 114.106 1.15 . . . . 20.600000000000001 114.106 -163.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 25.36 74.37 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 114.448 -1.251 . . . . 24.059999999999999 115.326 169.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -99.72 155.32 17.68 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 113.678 0.992 . . . . 18.989999999999998 113.678 -174.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -161.33 134.73 4.77 Favored Pre-proline 0 N--CA 1.433 -1.285 0 CA-C-N 113.503 -1.681 . . . . 21.719999999999999 106.784 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -71.29 -177.27 16.39 Favored 'Cis proline' 0 CA--C 1.54 0.777 0 N-CA-C 115.765 1.41 . . . . 19.109999999999999 115.765 -1.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.3 p -81.58 -19.82 41.16 Favored 'General case' 0 C--O 1.203 -1.36 0 N-CA-C 113.711 1.004 . . . . 20.379999999999999 113.711 -169.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.54 129.05 38.86 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.857 0.836 . . . . 30.850000000000001 109.141 -179.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.6 tt -164.95 158.27 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 O-C-N 120.617 -1.302 . . . . 20.359999999999999 109.396 -174.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -132.62 132.92 42.99 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 106.682 -1.599 . . . . 36.549999999999997 106.682 173.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -139.09 123.3 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 106.766 -1.568 . . . . 20.59 106.766 -174.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -134.31 148.75 50.81 Favored 'General case' 0 CA--C 1.492 -1.268 0 N-CA-C 109.131 -0.692 . . . . 27.32 109.131 -178.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . 0.729 HD21 ' SG ' ' A' ' 25' ' ' CSO . 49.8 mt -93.74 136.99 33.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.661 1.226 . . . . 34.090000000000003 109.244 169.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 mt -115.69 137.59 51.93 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.97 0.908 . . . . 27.890000000000001 109.118 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -122.46 118.56 28.63 Favored 'General case' 0 C--O 1.25 1.082 0 N-CA-C 107.638 -1.245 . . . . 28.239999999999998 107.638 175.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 47.57 39.96 10.67 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.293 0.568 . . . . 30.57 112.101 -172.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.03 -3.68 85.1 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 114.618 0.607 . . . . 27.32 114.618 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -104.78 145.5 30.29 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 117.008 0.404 . . . . 28.030000000000001 111.083 -178.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . 0.861 ' HD2' ' OE2' ' A' ' 47' ' ' GLU . 3.5 ttm180 -79.62 123.52 27.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.855 0.687 . . . . 41.880000000000003 112.855 -172.805 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.17 120.2 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 108.346 -0.983 . . . . 26.870000000000001 108.346 172.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . 0.861 ' OE2' ' HD2' ' A' ' 45' ' ' ARG . 62.8 mm-40 -96.78 -38.41 9.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.965 -1.016 . . . . 40.119999999999997 112.539 -172.055 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -106.91 88.86 2.84 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.285 -0.566 . . . . 48.689999999999998 111.845 -165.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.1 t -108.76 130.97 60.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 114.838 -1.074 . . . . 44.969999999999999 109.579 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -79.33 -46.19 18.18 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.285 0.564 . . . . 43.140000000000001 110.453 -171.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -91.19 134.38 34.6 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 114.806 -1.088 . . . . 44.210000000000001 113.925 -172.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 m -63.31 150.14 89.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 41.670000000000002 110.377 169.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.05 157.83 60.22 Favored 'Trans proline' 0 N--CA 1.437 -1.809 0 C-N-CA 121.964 1.776 . . . . 27.719999999999999 110.871 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.0 tp -97.81 126.3 43.11 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 105.402 -2.073 . . . . 27.699999999999999 105.402 171.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -128.95 133.5 47.86 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.594 1.184 . . . . 22.530000000000001 111.494 -176.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -157.49 165.64 35.1 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 121.449 0.642 . . . . 22.399999999999999 110.669 175.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.2 p -121.42 146.51 46.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.803 -0.635 . . . . 24.48 109.954 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -136.71 104.38 5.5 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.147 -0.479 . . . . 30.93 110.687 168.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -90.3 -21.46 22.05 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 101.211 -3.625 . . . . 47.460000000000001 101.211 -44.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TRP . . . . . 0.827 ' CE3' ' O ' ' A' ' 150' ' ' HOH . 0.5 OUTLIER -91.12 -20.81 21.62 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.214 0.82 . . . . 43.490000000000002 113.214 177.484 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.16 149.63 21.37 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 120.941 0.4 . . . . 33.060000000000002 110.599 173.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -113.09 155.45 24.9 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.85 0.833 . . . . 20.609999999999999 110.7 175.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -138.54 142.46 39.28 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 113.511 -1.677 . . . . 29.030000000000001 109.115 -173.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.0 tp -145.25 127.26 15.53 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 115.93 -0.577 . . . . 27.780000000000001 110.35 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.4 tp -112.54 112.49 24.06 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 121.49 0.662 . . . . 25.640000000000001 109.251 171.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -117.1 124.19 48.61 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 105.674 -1.972 . . . . 34.469999999999999 105.674 -174.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -142.35 148.48 37.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.191 -1.004 . . . . 35.369999999999997 111.336 -173.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 t -144.43 150.05 37.04 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 118.588 -1.245 . . . . 34.049999999999997 111.992 174.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . 0.637 ' OE2' ' HB2' ' A' ' 20' ' ' SER . 7.2 tp10 -65.23 145.41 56.27 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-O 122.525 1.155 . . . . 48.710000000000001 109.639 176.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -163.67 161.11 23.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.413 -1.267 . . . . 28.32 110.551 174.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -119.13 98.9 50.87 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 114.045 -1.434 . . . . 35.18 107.721 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.02 142.02 85.94 Favored 'Trans proline' 0 N--CA 1.454 -0.804 0 C-N-CA 118.294 -0.671 . . . . 32.259999999999998 112.361 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 65.5 p -125.15 168.56 13.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.748 -1.575 . . . . 36.899999999999999 106.748 168.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -64.02 -34.49 78.14 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.746 -0.661 . . . . 42.780000000000001 110.812 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -95.05 -14.34 24.37 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 116.88 2.178 . . . . 51.289999999999999 116.88 -171.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -84.09 130.63 34.85 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 119.795 -0.762 . . . . 30.370000000000001 111.497 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -108.14 134.69 50.65 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-O 121.508 0.671 . . . . 49.439999999999998 109.295 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -119.31 150.36 40.26 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 114.976 -1.011 . . . . 23.59 110.414 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.38 148.47 27.52 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 108.253 -1.017 . . . . 23.420000000000002 108.253 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . 0.626 ' SG ' ' OD ' ' A' ' 25' ' ' CSO . 23.7 t -98.32 133.79 42.24 Favored 'General case' 0 C--O 1.201 -1.456 0 N-CA-C 107.77 -1.196 . . . . 23.719999999999999 107.77 171.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -115.81 123.41 48.14 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 121.729 0.776 . . . . 31.440000000000001 110.734 173.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.9 t -119.39 134.8 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.297 0 CA-C-N 115.322 -0.854 . . . . 20.920000000000002 110.927 -177.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . 0.752 ' ND2' ' HG3' ' A' ' 90' ' ' PRO . 1.7 t-20 -122.79 142.62 50.54 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 118.936 -1.106 . . . . 35.090000000000003 111.492 167.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -162.62 157.83 22.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 104.695 -2.335 . . . . 17.390000000000001 104.695 -170.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 m -67.91 -20.97 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 122.784 0.434 . . . . 22.120000000000001 111.288 -176.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.1 p -77.38 -3.44 40.19 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.184 1.179 . . . . 21.579999999999998 114.184 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.0 mt -110.85 133.64 53.2 Favored 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 109.378 -0.601 . . . . 22.780000000000001 109.378 -175.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.1 p -82.09 -16.43 50.05 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 118.713 -1.195 . . . . 29.100000000000001 109.898 -174.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -153.6 161.52 28.95 Favored Pre-proline 0 N--CA 1.438 -1.07 0 N-CA-C 105.178 -2.156 . . . . 31.829999999999998 105.178 174.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' PRO . . . . . 0.752 ' HG3' ' ND2' ' A' ' 83' ' ' ASN . 39.2 Cg_exo -54.25 138.3 72.11 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 117.224 -1.384 . . . . 25.280000000000001 113.997 178.238 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . 0.681 ' HD3' HD12 ' A' ' 7' ' ' ILE . 70.5 tttt -94.58 124.09 38.4 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 120.975 -0.29 . . . . 37.880000000000003 111.202 177.397 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.5 mt -110.18 117.81 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 108.854 -0.795 . . . . 31.02 108.854 179.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.85 120.24 61.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 122.113 0.959 . . . . 23.149999999999999 110.792 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -77.93 144.59 36.7 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 121.394 -0.816 . . . . 35.740000000000002 110.113 -175.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.71 120.9 16.99 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 106.426 -1.694 . . . . 27.920000000000002 106.426 171.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -100.79 101.24 12.04 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 106.226 -1.768 . . . . 44.560000000000002 106.226 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ARG . . . . . 0.624 ' NH2' ' OD1' ' A' ' 17' ' ' ASN . 25.1 ttt180 . . . . . 0 N--CA 1.427 -1.625 0 CA-C-N 113.965 -1.471 . . . . 45.539999999999999 109.072 -178.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' PE4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 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 build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' 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 ' 150' ' ' HOH . . . . . 0.827 ' O ' ' CE3' ' A' ' 60' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.2 ttp . . . . . 0 CA--C 1.549 0.937 0 N-CA-C 109.781 -0.451 . . . . 37.310000000000002 109.781 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.5 pt -135.06 158.87 41.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 109.242 -0.651 . . . . 27.289999999999999 109.242 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -130.73 133.56 46.15 Favored 'General case' 0 C--O 1.253 1.258 0 N-CA-C 104.251 -2.5 . . . . 24.52 104.251 166.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.9 mmt-85 -138.68 125.15 20.55 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 123.696 1.713 . . . . 40.18 108.671 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.2 m -81.19 141.18 49.72 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 114.834 -1.075 . . . . 20.23 110.795 -178.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -67.65 142.61 59.06 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 N-CA-C 114.903 1.078 . . . . 19.149999999999999 114.903 179.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -82.63 137.4 34.51 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 106.974 -1.491 . . . . 34.57 106.974 160.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.681 HD12 ' HD3' ' A' ' 91' ' ' LYS . 29.5 mt -125.68 117.53 49.56 Favored 'Isoleucine or valine' 0 C--O 1.25 1.126 0 CA-C-O 120.812 0.339 . . . . 22.829999999999998 110.213 -175.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -116.7 129.61 56.23 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 115.642 -0.708 . . . . 24.199999999999999 110.621 176.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 t -117.54 124.1 72.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.401 -0.963 . . . . 21.579999999999998 108.401 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -157.81 154.74 28.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.187 -0.605 . . . . 24.41 109.914 -173.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 p -85.9 154.15 21.72 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 108.333 -0.988 . . . . 22.059999999999999 108.333 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -63.18 -46.01 89.12 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.897 0.856 . . . . 33.68 110.79 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.567 ' H ' HD21 ' A' ' 21' ' ' ASN . 76.9 m-70 -121.94 167.18 14.39 Favored Pre-proline 0 CA--C 1.51 -0.576 0 N-CA-C 107.062 -1.459 . . . . 30.370000000000001 107.062 178.253 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -55.85 127.5 26.37 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 O-C-N 123.427 1.225 . . . . 31.75 110.61 177.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.1 131.07 43.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.307 0.854 . . . . 34.719999999999999 113.307 -173.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -128.64 120.14 26.01 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.638 -0.875 . . . . 39.090000000000003 108.638 175.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.624 ' OD1' ' NH2' ' A' ' 97' ' ' ARG . 81.0 m-20 -49.09 128.96 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.804 -0.758 . . . . 38.869999999999997 110.067 -177.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.06 -0.37 89.81 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 115.933 1.133 . . . . 38.280000000000001 115.933 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -108.93 137.38 46.93 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.952 -0.734 . . . . 43.170000000000002 109.307 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . 0.637 ' HB2' ' OE2' ' A' ' 69' ' ' GLU . 59.5 p -71.54 151.65 43.67 Favored 'General case' 0 C--O 1.208 -1.109 0 N-CA-C 107.867 -1.16 . . . . 37.960000000000001 107.867 -172.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.945 HD22 ' H ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -166.25 -175.45 3.29 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 106.815 -1.55 . . . . 26.420000000000002 106.815 -166.715 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.945 ' H ' HD22 ' A' ' 21' ' ' ASN . 60.5 m-85 -132.25 137.87 47.69 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 107.065 -1.458 . . . . 32.920000000000002 107.065 175.108 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.1 tp -99.78 125.37 45.69 Favored 'General case' 0 C--O 1.249 1.072 0 O-C-N 124.491 1.119 . . . . 26.800000000000001 109.961 172.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.7 HD22 ' HB3' ' A' ' 67' ' ' TYR . 31.3 m120 -101.41 155.83 17.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 26.350000000000001 112.213 -179.962 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' CSO . . . . . 0.729 ' SG ' HD21 ' A' ' 39' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -100.62 117.07 34.01 Favored 'General case' 1 C--N 1.509 7.504 0 C-N-CA 116.733 -1.987 . . . . 24.789999999999999 106.707 179.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.9 t -115.51 115.68 50.1 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.094 0 N-CA-C 103.759 -2.682 . . . . 20.969999999999999 103.759 -174.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.9 p -132.34 150.94 52.05 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 114.106 1.15 . . . . 20.600000000000001 114.106 -163.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 25.36 74.37 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 114.448 -1.251 . . . . 24.059999999999999 115.326 169.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -99.72 155.32 17.68 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 113.678 0.992 . . . . 18.989999999999998 113.678 -174.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -161.33 134.73 4.77 Favored Pre-proline 0 N--CA 1.433 -1.285 0 CA-C-N 113.503 -1.681 . . . . 21.719999999999999 106.784 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.546 ' O ' ' HE1' ' A' ' 84' ' ' HIS . 71.0 Cg_endo -71.29 -177.27 16.39 Favored 'Cis proline' 0 CA--C 1.54 0.777 0 N-CA-C 115.765 1.41 . . . . 19.109999999999999 115.765 -1.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.3 p -81.58 -19.82 41.16 Favored 'General case' 0 C--O 1.203 -1.36 0 N-CA-C 113.711 1.004 . . . . 20.379999999999999 113.711 -169.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.54 129.05 38.86 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.857 0.836 . . . . 30.850000000000001 109.141 -179.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.6 tt -164.95 158.27 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 O-C-N 120.617 -1.302 . . . . 20.359999999999999 109.396 -174.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -132.62 132.92 42.99 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 106.682 -1.599 . . . . 36.549999999999997 106.682 173.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.9 t -139.09 123.3 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 106.766 -1.568 . . . . 20.59 106.766 -174.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -134.31 148.75 50.81 Favored 'General case' 0 CA--C 1.492 -1.268 0 N-CA-C 109.131 -0.692 . . . . 27.32 109.131 -178.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.729 HD21 ' SG ' ' A' ' 25' ' ' CSO . 49.8 mt -93.74 136.99 33.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.661 1.226 . . . . 34.090000000000003 109.244 169.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.2 mt -115.69 137.59 51.93 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.97 0.908 . . . . 27.890000000000001 109.118 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -122.46 118.56 28.63 Favored 'General case' 0 C--O 1.25 1.082 0 N-CA-C 107.638 -1.245 . . . . 28.239999999999998 107.638 175.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.776 HD22 ' HG2' ' A' ' 77' ' ' GLU . 15.5 m120 47.57 39.96 10.67 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.293 0.568 . . . . 30.57 112.101 -172.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.03 -3.68 85.1 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 114.618 0.607 . . . . 27.32 114.618 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -104.78 145.5 30.29 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 117.008 0.404 . . . . 28.030000000000001 111.083 -178.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.861 ' HD2' ' OE2' ' A' ' 47' ' ' GLU . 3.5 ttm180 -79.62 123.52 27.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.855 0.687 . . . . 41.880000000000003 112.855 -172.805 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.17 120.2 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 108.346 -0.983 . . . . 26.870000000000001 108.346 172.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.861 ' OE2' ' HD2' ' A' ' 45' ' ' ARG . 62.8 mm-40 -96.78 -38.41 9.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.965 -1.016 . . . . 40.119999999999997 112.539 -172.055 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -106.91 88.86 2.84 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.285 -0.566 . . . . 48.689999999999998 111.845 -165.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.1 t -108.76 130.97 60.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 114.838 -1.074 . . . . 44.969999999999999 109.579 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -79.33 -46.19 18.18 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.285 0.564 . . . . 43.140000000000001 110.453 -171.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -91.19 134.38 34.6 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 114.806 -1.088 . . . . 44.210000000000001 113.925 -172.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 m -63.31 150.14 89.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 41.670000000000002 110.377 169.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.05 157.83 60.22 Favored 'Trans proline' 0 N--CA 1.437 -1.809 0 C-N-CA 121.964 1.776 . . . . 27.719999999999999 110.871 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.0 tp -97.81 126.3 43.11 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 105.402 -2.073 . . . . 27.699999999999999 105.402 171.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -128.95 133.5 47.86 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.594 1.184 . . . . 22.530000000000001 111.494 -176.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -157.49 165.64 35.1 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 121.449 0.642 . . . . 22.399999999999999 110.669 175.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.2 p -121.42 146.51 46.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.803 -0.635 . . . . 24.48 109.954 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -136.71 104.38 5.5 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.147 -0.479 . . . . 30.93 110.687 168.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -90.3 -21.46 22.05 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 101.211 -3.625 . . . . 47.460000000000001 101.211 -44.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.827 ' CE3' ' O ' ' A' ' 150' ' ' HOH . 0.5 OUTLIER -91.12 -20.81 21.62 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.214 0.82 . . . . 43.490000000000002 113.214 177.484 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.16 149.63 21.37 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-O 120.941 0.4 . . . . 33.060000000000002 110.599 173.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -113.09 155.45 24.9 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.85 0.833 . . . . 20.609999999999999 110.7 175.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -138.54 142.46 39.28 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 113.511 -1.677 . . . . 29.030000000000001 109.115 -173.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.0 tp -145.25 127.26 15.53 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 115.93 -0.577 . . . . 27.780000000000001 110.35 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.4 tp -112.54 112.49 24.06 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 121.49 0.662 . . . . 25.640000000000001 109.251 171.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -117.1 124.19 48.61 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 105.674 -1.972 . . . . 34.469999999999999 105.674 -174.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.7 ' HB3' HD22 ' A' ' 24' ' ' ASN . 49.5 p90 -142.35 148.48 37.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.191 -1.004 . . . . 35.369999999999997 111.336 -173.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 t -144.43 150.05 37.04 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 118.588 -1.245 . . . . 34.049999999999997 111.992 174.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.637 ' OE2' ' HB2' ' A' ' 20' ' ' SER . 7.2 tp10 -65.23 145.41 56.27 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-O 122.525 1.155 . . . . 48.710000000000001 109.639 176.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -163.67 161.11 23.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.413 -1.267 . . . . 28.32 110.551 174.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -119.13 98.9 50.87 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 114.045 -1.434 . . . . 35.18 107.721 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.02 142.02 85.94 Favored 'Trans proline' 0 N--CA 1.454 -0.804 0 C-N-CA 118.294 -0.671 . . . . 32.259999999999998 112.361 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 65.5 p -125.15 168.56 13.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.748 -1.575 . . . . 36.899999999999999 106.748 168.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -64.02 -34.49 78.14 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.746 -0.661 . . . . 42.780000000000001 110.812 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -95.05 -14.34 24.37 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 116.88 2.178 . . . . 51.289999999999999 116.88 -171.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -84.09 130.63 34.85 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 119.795 -0.762 . . . . 30.370000000000001 111.497 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.776 ' HG2' HD22 ' A' ' 42' ' ' ASN . 12.6 pt-20 -108.14 134.69 50.65 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-O 121.508 0.671 . . . . 49.439999999999998 109.295 177.217 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -119.31 150.36 40.26 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 114.976 -1.011 . . . . 23.59 110.414 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.38 148.47 27.52 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 108.253 -1.017 . . . . 23.420000000000002 108.253 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.626 ' SG ' ' OD ' ' A' ' 25' ' ' CSO . 23.7 t -98.32 133.79 42.24 Favored 'General case' 0 C--O 1.201 -1.456 0 N-CA-C 107.77 -1.196 . . . . 23.719999999999999 107.77 171.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -115.81 123.41 48.14 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 121.729 0.776 . . . . 31.440000000000001 110.734 173.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.9 t -119.39 134.8 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.297 0 CA-C-N 115.322 -0.854 . . . . 20.920000000000002 110.927 -177.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.752 ' ND2' ' HG3' ' A' ' 90' ' ' PRO . 1.7 t-20 -122.79 142.62 50.54 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 118.936 -1.106 . . . . 35.090000000000003 111.492 167.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.641 ' HD2' ' OG1' ' A' ' 86' ' ' THR . 75.7 t60 -162.62 157.83 22.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 104.695 -2.335 . . . . 17.390000000000001 104.695 -170.161 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 m -67.91 -20.97 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 122.784 0.434 . . . . 22.120000000000001 111.288 -176.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' THR . . . . . 0.641 ' OG1' ' HD2' ' A' ' 84' ' ' HIS . 66.1 p -77.38 -3.44 40.19 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.184 1.179 . . . . 21.579999999999998 114.184 179.064 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.0 mt -110.85 133.64 53.2 Favored 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 109.378 -0.601 . . . . 22.780000000000001 109.378 -175.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.1 p -82.09 -16.43 50.05 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 118.713 -1.195 . . . . 29.100000000000001 109.898 -174.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -153.6 161.52 28.95 Favored Pre-proline 0 N--CA 1.438 -1.07 0 N-CA-C 105.178 -2.156 . . . . 31.829999999999998 105.178 174.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.752 ' HG3' ' ND2' ' A' ' 83' ' ' ASN . 39.2 Cg_exo -54.25 138.3 72.11 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 117.224 -1.384 . . . . 25.280000000000001 113.997 178.238 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.681 ' HD3' HD12 ' A' ' 7' ' ' ILE . 70.5 tttt -94.58 124.09 38.4 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 120.975 -0.29 . . . . 37.880000000000003 111.202 177.397 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.5 mt -110.18 117.81 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 108.854 -0.795 . . . . 31.02 108.854 179.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.85 120.24 61.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 122.113 0.959 . . . . 23.149999999999999 110.792 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -77.93 144.59 36.7 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 121.394 -0.816 . . . . 35.740000000000002 110.113 -175.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.71 120.9 16.99 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 106.426 -1.694 . . . . 27.920000000000002 106.426 171.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -100.79 101.24 12.04 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 106.226 -1.768 . . . . 44.560000000000002 106.226 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.624 ' NH2' ' OD1' ' A' ' 17' ' ' ASN . 25.1 ttt180 . . . . . 0 N--CA 1.427 -1.625 0 CA-C-N 113.965 -1.471 . . . . 45.539999999999999 109.072 -178.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' PE4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 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 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' 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 ' 150' ' ' HOH . . . . . 0.827 ' O ' ' CE3' ' A' ' 60' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_