data_4mja_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 4mja _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 ' -10' ' ' MET . . . . . 0.523 ' O ' ' NE2' ' A' ' -6' ' ' HIS . 17.8 ttt . . . . . 0 C--O 1.17 -3.086 0 N-CA-C 107.678 -1.231 . . . . 60.159999999999997 107.678 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -54.07 134.21 43.85 Favored 'General case' 1 C--O 1.143 -4.511 0 N-CA-C 114.47 1.285 . . . . 41.32 114.47 -177.089 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 143.91 178.7 19.87 Favored Glycine 0 C--O 1.201 -1.925 0 N-CA-C 109.832 -1.307 . . . . 24.670000000000002 109.832 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -7' ' ' SER . . . . . . . . . . . . . 17.3 t -104.01 95.17 5.81 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 105.739 -1.949 . . . . 18.850000000000001 105.739 -175.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -6' ' ' HIS . . . . . 0.523 ' NE2' ' O ' ' A' ' -10' ' ' MET . 13.8 m-70 -98.39 141.77 30.86 Favored 'General case' 0 C--O 1.188 -2.18 0 O-C-N 124.519 1.137 . . . . 31.789999999999999 111.888 -174.246 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -95.32 125.34 39.88 Favored 'General case' 0 C--O 1.184 -2.344 0 CA-C-N 114.95 -1.023 . . . . 28.02 110.344 177.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -108.52 122.23 46.63 Favored 'General case' 0 C--O 1.168 -3.224 0 C-N-CA 123.068 0.547 . . . . 29.350000000000001 110.739 174.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -163.47 48.61 0.14 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.545 -1.207 . . . . 42.210000000000001 113.758 163.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 11.6 m170 65.63 29.15 11.05 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.584 -0.735 . . . . 43.780000000000001 111.86 166.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' HIS . . . . . 0.44 ' CA ' ' O ' ' A' ' 153' ' ' HOH . 5.9 m-70 -72.31 -17.66 61.84 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 119.096 -1.042 . . . . 53.359999999999999 109.736 -176.507 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 53.1 -118.49 8.29 Favored Glycine 0 CA--C 1.499 -0.952 0 N-CA-C 104.49 -3.444 . . . . 53.920000000000002 104.49 -172.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 139' ' ' HOH . 3.2 m -67.5 106.01 2.01 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.397 2.679 . . . . 52.469999999999999 114.996 171.365 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.12 115.04 14.32 Favored 'General case' 0 CA--C 1.478 -1.803 0 CA-C-O 122.639 1.209 . . . . 46.07 111.75 -174.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.81 154.7 38.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 113.737 -1.574 . . . . 46.0 108.564 168.38 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.43 174.6 5.97 Favored 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 106.06 -1.83 . . . . 41.68 106.06 -175.151 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.86 138.22 57.86 Favored 'General case' 1 C--O 1.151 -4.124 0 C-N-CA 119.869 -0.732 . . . . 24.829999999999998 112.892 -178.692 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -90.01 115.65 27.45 Favored 'General case' 0 C--O 1.178 -2.693 0 N-CA-C 105.927 -1.879 . . . . 17.379999999999999 105.927 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 mt -120.12 126.13 74.96 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.009 0 N-CA-C 108.015 -1.106 . . . . 19.280000000000001 108.015 -176.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -132.12 141.36 49.12 Favored 'General case' 0 C--O 1.17 -3.094 0 C-N-CA 124.334 1.054 . . . . 16.050000000000001 110.636 -174.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tt -138.65 125.16 25.22 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.668 0 O-C-N 124.781 1.301 . . . . 16.059999999999999 113.028 172.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -90.22 131.08 36.24 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 107.534 -1.284 . . . . 16.879999999999999 107.534 173.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.5 p -139.32 156.65 46.88 Favored 'General case' 0 C--O 1.175 -2.864 0 N-CA-C 116.134 1.902 . . . . 15.16 116.134 -174.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -97.52 128.91 44.65 Favored 'General case' 0 C--O 1.176 -2.765 0 N-CA-C 107.985 -1.117 . . . . 21.16 107.985 147.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.4 p -49.99 -40.54 44.6 Favored 'General case' 0 C--O 1.168 -3.216 0 N-CA-C 113.707 1.003 . . . . 17.0 113.707 -177.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -98.23 11.9 36.39 Favored 'General case' 0 C--O 1.191 -1.975 0 N-CA-C 116.346 1.98 . . . . 18.530000000000001 116.346 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 t -76.02 124.37 88.4 Favored Pre-proline 0 N--CA 1.42 -1.973 0 CA-C-O 122.069 0.938 . . . . 14.57 110.698 174.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -66.63 -29.55 43.46 Favored 'Trans proline' 0 C--O 1.162 -3.325 0 C-N-CA 120.485 0.79 . . . . 14.18 111.016 -174.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.31 -44.36 59.18 Favored 'General case' 0 C--O 1.154 -3.923 0 C-N-CA 122.268 0.227 . . . . 21.59 111.604 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.9 m -59.29 -43.55 92.56 Favored 'General case' 0 C--O 1.166 -3.3 0 O-C-N 124.08 0.863 . . . . 22.0 109.149 174.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.4 mtp -63.18 -43.98 96.71 Favored 'General case' 0 C--O 1.159 -3.667 0 CA-C-N 118.4 0.545 . . . . 18.600000000000001 112.318 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -57.14 -43.0 82.0 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 114.062 1.134 . . . . 31.920000000000002 114.062 174.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.18 95.1 Favored 'General case' 0 C--O 1.176 -2.796 0 CA-C-O 121.278 0.561 . . . . 16.719999999999999 110.561 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.89 -47.61 84.34 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 113.439 0.903 . . . . 20.859999999999999 113.439 178.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.4 -47.13 56.59 Favored 'General case' 0 C--O 1.167 -3.241 0 O-C-N 123.844 0.715 . . . . 19.09 109.719 174.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.13 -51.72 67.9 Favored 'General case' 0 C--O 1.181 -2.511 0 N-CA-C 113.248 0.833 . . . . 16.670000000000002 113.248 -175.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.55 -39.87 94.99 Favored 'General case' 1 C--O 1.151 -4.083 0 CA-C-O 118.874 -0.584 . . . . 18.379999999999999 112.151 176.947 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -64.24 -39.28 93.63 Favored 'General case' 0 C--O 1.168 -3.22 0 N-CA-C 108.511 -0.922 . . . . 26.399999999999999 108.511 -177.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' NH1' ' O ' ' A' ' 136' ' ' HOH . 12.7 mtm-85 -57.96 -40.85 81.61 Favored 'General case' 0 C--O 1.172 -3.005 0 N-CA-C 115.814 1.783 . . . . 31.030000000000001 115.814 172.767 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -61.04 -19.47 61.41 Favored 'General case' 1 C--O 1.138 -4.791 0 N-CA-C 116.243 1.942 . . . . 18.530000000000001 116.243 169.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.9 8.25 82.25 Favored Glycine 1 C--O 1.164 -4.255 0 CA-C-N 119.384 0.993 . . . . 16.25 115.319 -175.505 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 m -70.58 158.17 6.3 Favored 'Isoleucine or valine' 0 C--O 1.174 -2.917 0 N-CA-C 114.078 1.14 . . . . 26.5 114.078 177.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -93.25 125.47 37.87 Favored 'General case' 0 N--CA 1.418 -2.052 0 CA-C-N 114.901 -1.045 . . . . 44.57 109.902 176.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -149.0 163.05 38.65 Favored 'General case' 0 C--O 1.195 -1.777 0 N-CA-C 115.918 1.822 . . . . 20.039999999999999 115.918 -179.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -107.95 120.77 43.24 Favored 'General case' 1 C--O 1.139 -4.719 0 CA-C-N 112.863 -1.971 . . . . 19.73 112.299 -178.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . 0.413 ' OE2' ' SG ' ' A' ' 36' ' ' CYS . 66.2 tt0 -103.69 119.79 39.61 Favored 'General case' 0 C--O 1.176 -2.787 0 C-N-CA 123.258 0.623 . . . . 18.670000000000002 110.898 178.497 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -97.0 85.45 3.75 Favored 'General case' 0 C--O 1.186 -2.263 0 N-CA-C 105.947 -1.872 . . . . 13.84 105.947 175.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' CYS . . . . . 0.413 ' SG ' ' OE2' ' A' ' 34' ' ' GLU . 48.0 t -68.7 84.9 0.3 Allowed 'General case' 1 CA--C 1.65 4.806 0 N-CA-C 119.441 3.126 . . . . 17.100000000000001 119.441 170.541 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.7 pt -91.91 26.97 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.191 -1.988 1 CA-C-N 107.875 -4.239 . . . . 18.260000000000002 115.665 -170.896 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -37.77 119.71 0.77 Allowed 'General case' 0 C--O 1.176 -2.798 0 N-CA-C 112.864 0.69 . . . . 18.309999999999999 112.864 171.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.84 8.31 27.36 Favored Glycine 0 CA--C 1.545 1.914 0 N-CA-C 117.356 1.703 . . . . 18.579999999999998 117.356 174.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -98.33 95.6 7.47 Favored 'General case' 1 C--O 1.148 -4.287 0 C-N-CA 124.447 1.099 . . . . 23.969999999999999 112.552 -176.455 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -69.37 -37.67 77.69 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 113.304 -1.771 . . . . 19.25 113.506 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -57.37 -45.51 84.33 Favored 'General case' 0 C--O 1.199 -1.571 0 C-N-CA 123.146 0.578 . . . . 45.25 112.108 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.72 -33.13 74.28 Favored 'General case' 0 C--O 1.19 -2.041 0 CA-C-N 115.495 -0.775 . . . . 16.600000000000001 110.077 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.6 tpp85 -63.79 -39.32 93.98 Favored 'General case' 1 C--O 1.119 -5.779 0 CA-C-O 121.917 0.865 . . . . 17.039999999999999 108.924 177.083 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -66.89 -45.19 78.78 Favored 'General case' 0 C--O 1.171 -3.062 0 N-CA-C 108.053 -1.091 . . . . 26.489999999999998 108.053 -179.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.61 -48.98 74.0 Favored 'General case' 0 C--O 1.176 -2.802 0 N-CA-C 107.579 -1.267 . . . . 16.829999999999998 107.579 176.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 41.0 ttp -53.83 -50.9 65.16 Favored 'General case' 1 C--O 1.145 -4.399 0 N-CA-C 112.722 0.638 . . . . 21.68 112.722 178.667 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -35.1 72.26 Favored 'General case' 0 C--O 1.165 -3.381 0 O-C-N 124.425 1.078 . . . . 19.530000000000001 112.193 -175.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . 0.546 ' O ' ' O ' ' A' ' 122' ' ' HOH . . . -58.52 -38.95 78.82 Favored 'General case' 0 C--O 1.16 -3.649 0 CA-C-N 115.319 -0.855 . . . . 16.579999999999998 112.241 178.585 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -84.6 -25.86 28.33 Favored 'General case' 0 C--O 1.183 -2.439 0 N-CA-C 114.111 1.152 . . . . 18.710000000000001 114.111 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.12 28.38 5.86 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 123.423 0.689 . . . . 19.829999999999998 111.974 -166.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 67.36 33.26 5.42 Favored 'General case' 0 N--CA 1.396 -3.143 0 CA-C-N 114.654 -1.157 . . . . 37.060000000000002 112.448 173.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.85 -9.0 67.11 Favored Glycine 0 N--CA 1.427 -1.903 0 CA-C-N 114.733 -1.121 . . . . 24.48 113.743 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -74.31 133.42 42.58 Favored 'General case' 0 C--O 1.21 -0.99 0 N-CA-C 112.624 0.602 . . . . 34.479999999999997 112.624 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . 0.506 ' NH1' ' CG ' ' A' ' 55' ' ' ARG . 8.1 mtt85 -109.73 4.33 21.76 Favored 'General case' 0 C--O 1.158 -3.735 0 N-CA-C 115.665 1.728 . . . . 30.620000000000001 115.665 173.925 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.6 p -67.8 157.4 34.87 Favored 'General case' 0 C--O 1.169 -3.174 0 N-CA-C 108.533 -0.914 . . . . 17.18 108.533 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.3 mt -123.98 156.53 65.7 Favored Pre-proline 0 C--O 1.203 -1.349 0 CA-C-O 118.133 -0.937 . . . . 19.039999999999999 113.181 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -71.44 178.92 27.48 Favored 'Cis proline' 0 CA--C 1.561 1.854 0 C-N-CA 123.038 -1.651 . . . . 15.26 113.514 -12.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -129.65 126.93 39.51 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-N 115.059 -0.973 . . . . 18.16 109.305 165.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.2 mt -112.6 142.63 24.36 Favored 'Isoleucine or valine' 0 C--O 1.162 -3.55 0 CA-C-N 114.759 -1.11 . . . . 19.870000000000001 113.544 -175.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -137.44 133.14 34.36 Favored 'General case' 0 C--O 1.175 -2.831 0 C-N-CA 125.556 1.542 . . . . 20.460000000000001 112.165 177.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.5 mt -127.24 118.13 49.12 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.191 0 C-N-CA 125.6 1.56 . . . . 16.18 110.124 175.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 50.74 49.77 20.3 Favored 'General case' 0 C--O 1.161 -3.584 0 CA-C-N 114.147 -1.388 . . . . 33.07 110.593 -172.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 62.24 3.66 1.07 Allowed 'General case' 0 C--O 1.173 -2.923 0 N-CA-C 116.243 1.942 . . . . 26.620000000000001 116.243 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -79.66 131.04 35.87 Favored 'General case' 0 C--O 1.184 -2.368 0 N-CA-C 113.639 0.977 . . . . 36.649999999999999 113.639 168.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -73.54 109.16 6.84 Favored 'General case' 0 C--O 1.183 -2.406 0 CA-C-O 119.055 -0.498 . . . . 22.66 111.06 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.0 mm -83.69 -37.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 113.397 0.888 . . . . 24.550000000000001 113.397 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.22 -147.79 16.61 Favored Glycine 0 C--O 1.204 -1.756 0 N-CA-C 116.524 1.37 . . . . 16.940000000000001 116.524 -175.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -95.91 -164.76 34.06 Favored Glycine 1 C--O 1.157 -4.711 0 O-C-N 121.268 -1.137 . . . . 16.030000000000001 115.73 -172.542 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.9 t -61.8 -47.57 84.55 Favored 'General case' 0 C--O 1.172 -3.002 0 CA-C-O 121.571 0.7 . . . . 20.210000000000001 112.256 -178.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -57.13 3.02 Favored 'General case' 0 C--O 1.201 -1.454 0 C-N-CA 125.977 1.711 . . . . 49.520000000000003 112.367 170.302 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.09 -40.67 90.4 Favored 'General case' 0 C--O 1.175 -2.839 0 CA-C-N 114.12 -1.4 . . . . 23.460000000000001 112.884 -172.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.6 tt -75.38 -38.08 39.48 Favored 'Isoleucine or valine' 0 C--O 1.161 -3.553 0 C-N-CA 120.496 -0.481 . . . . 27.420000000000002 110.522 -174.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -62.94 -42.61 99.86 Favored 'General case' 0 C--O 1.157 -3.81 0 N-CA-C 113.378 0.881 . . . . 20.850000000000001 113.378 173.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.6 mt -57.93 -45.38 87.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 N-CA-C 115.062 1.505 . . . . 29.719999999999999 115.062 171.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.93 -46.4 78.49 Favored 'General case' 0 C--O 1.159 -3.7 0 CA-C-N 115.855 -0.611 . . . . 23.77 111.186 172.788 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . 0.972 ' OD2' ' O ' ' A' ' 126' ' ' HOH . 16.8 t0 -65.38 -39.49 92.33 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 113.988 1.107 . . . . 26.489999999999998 113.988 178.931 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.4 -31.89 79.0 Favored Glycine 0 C--O 1.19 -2.595 0 CA-C-N 115.226 -0.897 . . . . 18.77 114.251 174.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.16 3.54 51.57 Favored 'General case' 0 C--O 1.169 -3.153 0 N-CA-C 114.18 1.178 . . . . 22.949999999999999 114.18 179.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.05 25.85 73.75 Favored Glycine 0 C--O 1.171 -3.843 0 N-CA-C 115.673 1.029 . . . . 26.199999999999999 115.673 -174.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -109.18 -7.36 15.31 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 115.664 1.727 . . . . 31.949999999999999 115.664 -175.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.9 tp -80.82 -45.36 17.04 Favored 'General case' 0 C--O 1.192 -1.933 0 C-N-CA 118.793 -1.163 . . . . 23.829999999999998 111.929 -174.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -59.34 -45.58 99.06 Favored Pre-proline 0 C--O 1.175 -2.829 0 CA-C-O 118.331 -0.842 . . . . 27.890000000000001 111.433 -174.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 87' ' ' HIS . 24.4 Cg_exo -55.86 -16.98 17.16 Favored 'Trans proline' 0 C--O 1.189 -1.938 0 CA-C-N 120.873 1.347 . . . . 29.079999999999998 112.562 176.159 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.8 mt -90.04 -33.65 16.25 Favored 'General case' 0 C--O 1.183 -2.416 0 N-CA-C 115.158 1.54 . . . . 25.870000000000001 115.158 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . 0.427 ' N ' ' CA ' ' A' ' 87' ' ' HIS . 7.0 mp -70.9 -15.5 62.62 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 120.728 3.603 . . . . 29.440000000000001 120.728 -174.608 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HIS . . . . . 0.872 ' ND1' ' O ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER -124.43 101.86 7.37 Favored 'General case' 0 N--CA 1.387 -3.581 0 O-C-N 118.669 -2.519 . . . . 43.869999999999997 110.345 -18.773 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.456 -2.669 1 N-CA-C 87.062 -8.866 . . . . 33.590000000000003 87.062 143.502 . . . . . . . . 2 2 . 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 . . . . . 0.546 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.972 ' O ' ' OD2' ' A' ' 77' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.551 ' O ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.44 ' O ' ' O ' ' A' ' 1' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . 0.44 ' O ' ' CA ' ' A' ' -1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -10' ' ' MET . . . . . 0.486 ' O ' ' NE2' ' A' ' -6' ' ' HIS . 17.8 ttt . . . . . 0 C--O 1.17 -3.086 0 N-CA-C 107.678 -1.231 . . . . 60.159999999999997 107.678 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -54.07 134.21 43.85 Favored 'General case' 1 C--O 1.143 -4.511 0 N-CA-C 114.47 1.285 . . . . 41.32 114.47 -177.089 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 143.91 178.7 19.87 Favored Glycine 0 C--O 1.201 -1.925 0 N-CA-C 109.832 -1.307 . . . . 24.670000000000002 109.832 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -7' ' ' SER . . . . . . . . . . . . . 17.3 t -104.01 95.17 5.81 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 105.739 -1.949 . . . . 18.850000000000001 105.739 -175.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -6' ' ' HIS . . . . . 0.486 ' NE2' ' O ' ' A' ' -10' ' ' MET . 13.8 m-70 -98.39 141.77 30.86 Favored 'General case' 0 C--O 1.188 -2.18 0 O-C-N 124.519 1.137 . . . . 31.789999999999999 111.888 -174.246 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -95.32 125.34 39.88 Favored 'General case' 0 C--O 1.184 -2.344 0 CA-C-N 114.95 -1.023 . . . . 28.02 110.344 177.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -108.52 122.23 46.63 Favored 'General case' 0 C--O 1.168 -3.224 0 C-N-CA 123.068 0.547 . . . . 29.350000000000001 110.739 174.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -3' ' ' HIS . . . . . 0.457 ' HB3' ' NE2' ' A' ' -1' ' ' HIS . 44.0 t60 -163.47 48.61 0.14 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.545 -1.207 . . . . 42.210000000000001 113.758 163.052 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 11.6 m170 65.63 29.15 11.05 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.584 -0.735 . . . . 43.780000000000001 111.86 166.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -1' ' ' HIS . . . . . 0.636 ' HA ' ' O ' ' A' ' 153' ' ' HOH . 4.5 m80 -72.31 -17.66 61.84 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 119.096 -1.042 . . . . 53.359999999999999 109.736 -176.507 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 53.1 -118.49 8.29 Favored Glycine 0 CA--C 1.499 -0.952 0 N-CA-C 104.49 -3.444 . . . . 53.920000000000002 104.49 -172.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 139' ' ' HOH . 3.2 m -67.5 106.01 2.01 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.397 2.679 . . . . 52.469999999999999 114.996 171.365 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . 0.638 ' HA ' ' O ' ' A' ' 159' ' ' HOH . . . -75.12 115.04 14.32 Favored 'General case' 0 CA--C 1.478 -1.803 0 CA-C-O 122.639 1.209 . . . . 46.07 111.75 -174.322 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.81 154.7 38.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 113.737 -1.574 . . . . 46.0 108.564 168.38 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.43 174.6 5.97 Favored 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 106.06 -1.83 . . . . 41.68 106.06 -175.151 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.86 138.22 57.86 Favored 'General case' 1 C--O 1.151 -4.124 0 C-N-CA 119.869 -0.732 . . . . 24.829999999999998 112.892 -178.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -90.01 115.65 27.45 Favored 'General case' 0 C--O 1.178 -2.693 0 N-CA-C 105.927 -1.879 . . . . 17.379999999999999 105.927 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 mt -120.12 126.13 74.96 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.009 0 N-CA-C 108.015 -1.106 . . . . 19.280000000000001 108.015 -176.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -132.12 141.36 49.12 Favored 'General case' 0 C--O 1.17 -3.094 0 C-N-CA 124.334 1.054 . . . . 16.050000000000001 110.636 -174.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tt -138.65 125.16 25.22 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.668 0 O-C-N 124.781 1.301 . . . . 16.059999999999999 113.028 172.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -90.22 131.08 36.24 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 107.534 -1.284 . . . . 16.879999999999999 107.534 173.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.5 p -139.32 156.65 46.88 Favored 'General case' 0 C--O 1.175 -2.864 0 N-CA-C 116.134 1.902 . . . . 15.16 116.134 -174.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -97.52 128.91 44.65 Favored 'General case' 0 C--O 1.176 -2.765 0 N-CA-C 107.985 -1.117 . . . . 21.16 107.985 147.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.4 p -49.99 -40.54 44.6 Favored 'General case' 0 C--O 1.168 -3.216 0 N-CA-C 113.707 1.003 . . . . 17.0 113.707 -177.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -98.23 11.9 36.39 Favored 'General case' 0 C--O 1.191 -1.975 0 N-CA-C 116.346 1.98 . . . . 18.530000000000001 116.346 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 t -76.02 124.37 88.4 Favored Pre-proline 0 N--CA 1.42 -1.973 0 CA-C-O 122.069 0.938 . . . . 14.57 110.698 174.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -66.63 -29.55 43.46 Favored 'Trans proline' 0 C--O 1.162 -3.325 0 C-N-CA 120.485 0.79 . . . . 14.18 111.016 -174.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.31 -44.36 59.18 Favored 'General case' 0 C--O 1.154 -3.923 0 C-N-CA 122.268 0.227 . . . . 21.59 111.604 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.9 m -59.29 -43.55 92.56 Favored 'General case' 0 C--O 1.166 -3.3 0 O-C-N 124.08 0.863 . . . . 22.0 109.149 174.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.4 mtp -63.18 -43.98 96.71 Favored 'General case' 0 C--O 1.159 -3.667 0 CA-C-N 118.4 0.545 . . . . 18.600000000000001 112.318 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -57.14 -43.0 82.0 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 114.062 1.134 . . . . 31.920000000000002 114.062 174.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.18 95.1 Favored 'General case' 0 C--O 1.176 -2.796 0 CA-C-O 121.278 0.561 . . . . 16.719999999999999 110.561 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.89 -47.61 84.34 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 113.439 0.903 . . . . 20.859999999999999 113.439 178.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.4 -47.13 56.59 Favored 'General case' 0 C--O 1.167 -3.241 0 O-C-N 123.844 0.715 . . . . 19.09 109.719 174.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.13 -51.72 67.9 Favored 'General case' 0 C--O 1.181 -2.511 0 N-CA-C 113.248 0.833 . . . . 16.670000000000002 113.248 -175.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.55 -39.87 94.99 Favored 'General case' 1 C--O 1.151 -4.083 0 CA-C-O 118.874 -0.584 . . . . 18.379999999999999 112.151 176.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -64.24 -39.28 93.63 Favored 'General case' 0 C--O 1.168 -3.22 0 N-CA-C 108.511 -0.922 . . . . 26.399999999999999 108.511 -177.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ARG . . . . . 0.605 ' HD3' ' O ' ' A' ' 136' ' ' HOH . 12.7 mtm-85 -57.96 -40.85 81.61 Favored 'General case' 0 C--O 1.172 -3.005 0 N-CA-C 115.814 1.783 . . . . 31.030000000000001 115.814 172.767 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -61.04 -19.47 61.41 Favored 'General case' 1 C--O 1.138 -4.791 0 N-CA-C 116.243 1.942 . . . . 18.530000000000001 116.243 169.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.9 8.25 82.25 Favored Glycine 1 C--O 1.164 -4.255 0 CA-C-N 119.384 0.993 . . . . 16.25 115.319 -175.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 m -70.58 158.17 6.3 Favored 'Isoleucine or valine' 0 C--O 1.174 -2.917 0 N-CA-C 114.078 1.14 . . . . 26.5 114.078 177.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -93.25 125.47 37.87 Favored 'General case' 0 N--CA 1.418 -2.052 0 CA-C-N 114.901 -1.045 . . . . 44.57 109.902 176.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -149.0 163.05 38.65 Favored 'General case' 0 C--O 1.195 -1.777 0 N-CA-C 115.918 1.822 . . . . 20.039999999999999 115.918 -179.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -107.95 120.77 43.24 Favored 'General case' 1 C--O 1.139 -4.719 0 CA-C-N 112.863 -1.971 . . . . 19.73 112.299 -178.473 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' OE2' ' SG ' ' A' ' 36' ' ' CYS . 66.2 tt0 -103.69 119.79 39.61 Favored 'General case' 0 C--O 1.176 -2.787 0 C-N-CA 123.258 0.623 . . . . 18.670000000000002 110.898 178.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -97.0 85.45 3.75 Favored 'General case' 0 C--O 1.186 -2.263 0 N-CA-C 105.947 -1.872 . . . . 13.84 105.947 175.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' CYS . . . . . 0.409 ' SG ' ' OE2' ' A' ' 34' ' ' GLU . 48.0 t -68.7 84.9 0.3 Allowed 'General case' 1 CA--C 1.65 4.806 0 N-CA-C 119.441 3.126 . . . . 31.850000000000001 119.441 170.541 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.7 pt -91.91 26.97 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.191 -1.988 1 CA-C-N 107.875 -4.239 . . . . 18.260000000000002 115.665 -170.896 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -37.77 119.71 0.77 Allowed 'General case' 0 C--O 1.176 -2.798 0 N-CA-C 112.864 0.69 . . . . 18.309999999999999 112.864 171.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.84 8.31 27.36 Favored Glycine 0 CA--C 1.545 1.914 0 N-CA-C 117.356 1.703 . . . . 18.579999999999998 117.356 174.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -98.33 95.6 7.47 Favored 'General case' 1 C--O 1.148 -4.287 0 C-N-CA 124.447 1.099 . . . . 23.969999999999999 112.552 -176.455 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -69.37 -37.67 77.69 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 113.304 -1.771 . . . . 19.25 113.506 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -57.37 -45.51 84.33 Favored 'General case' 0 C--O 1.199 -1.571 0 C-N-CA 123.146 0.578 . . . . 45.25 112.108 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.72 -33.13 74.28 Favored 'General case' 0 C--O 1.19 -2.041 0 CA-C-N 115.495 -0.775 . . . . 16.600000000000001 110.077 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.6 tpp85 -63.79 -39.32 93.98 Favored 'General case' 1 C--O 1.119 -5.779 0 CA-C-O 121.917 0.865 . . . . 17.039999999999999 108.924 177.083 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -66.89 -45.19 78.78 Favored 'General case' 0 C--O 1.171 -3.062 0 N-CA-C 108.053 -1.091 . . . . 26.489999999999998 108.053 -179.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.61 -48.98 74.0 Favored 'General case' 0 C--O 1.176 -2.802 0 N-CA-C 107.579 -1.267 . . . . 16.829999999999998 107.579 176.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 41.0 ttp -53.83 -50.9 65.16 Favored 'General case' 1 C--O 1.145 -4.399 0 N-CA-C 112.722 0.638 . . . . 21.68 112.722 178.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -35.1 72.26 Favored 'General case' 0 C--O 1.165 -3.381 0 O-C-N 124.425 1.078 . . . . 19.530000000000001 112.193 -175.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . 0.546 ' O ' ' O ' ' A' ' 122' ' ' HOH . . . -58.52 -38.95 78.82 Favored 'General case' 0 C--O 1.16 -3.649 0 CA-C-N 115.319 -0.855 . . . . 16.579999999999998 112.241 178.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -84.6 -25.86 28.33 Favored 'General case' 0 C--O 1.183 -2.439 0 N-CA-C 114.111 1.152 . . . . 18.710000000000001 114.111 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.12 28.38 5.86 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 123.423 0.689 . . . . 19.829999999999998 111.974 -166.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 67.36 33.26 5.42 Favored 'General case' 0 N--CA 1.396 -3.143 0 CA-C-N 114.654 -1.157 . . . . 37.060000000000002 112.448 173.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.85 -9.0 67.11 Favored Glycine 0 N--CA 1.427 -1.903 0 CA-C-N 114.733 -1.121 . . . . 24.48 113.743 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -74.31 133.42 42.58 Favored 'General case' 0 C--O 1.21 -0.99 0 N-CA-C 112.624 0.602 . . . . 34.479999999999997 112.624 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . 0.863 HH11 ' HG3' ' A' ' 55' ' ' ARG . 8.1 mtt85 -109.73 4.33 21.76 Favored 'General case' 0 C--O 1.158 -3.735 0 N-CA-C 115.665 1.728 . . . . 30.620000000000001 115.665 173.925 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.6 p -67.8 157.4 34.87 Favored 'General case' 0 C--O 1.169 -3.174 0 N-CA-C 108.533 -0.914 . . . . 17.18 108.533 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.3 mt -123.98 156.53 65.7 Favored Pre-proline 0 C--O 1.203 -1.349 0 CA-C-O 118.133 -0.937 . . . . 19.039999999999999 113.181 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -71.44 178.92 27.48 Favored 'Cis proline' 0 CA--C 1.561 1.854 0 C-N-CA 123.038 -1.651 . . . . 15.26 113.514 -12.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -129.65 126.93 39.51 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-N 115.059 -0.973 . . . . 18.16 109.305 165.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.2 mt -112.6 142.63 24.36 Favored 'Isoleucine or valine' 0 C--O 1.162 -3.55 0 CA-C-N 114.759 -1.11 . . . . 19.870000000000001 113.544 -175.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -137.44 133.14 34.36 Favored 'General case' 0 C--O 1.175 -2.831 0 C-N-CA 125.556 1.542 . . . . 20.460000000000001 112.165 177.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.5 mt -127.24 118.13 49.12 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.191 0 C-N-CA 125.6 1.56 . . . . 16.18 110.124 175.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 50.74 49.77 20.3 Favored 'General case' 0 C--O 1.161 -3.584 0 CA-C-N 114.147 -1.388 . . . . 33.07 110.593 -172.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 62.24 3.66 1.07 Allowed 'General case' 0 C--O 1.173 -2.923 0 N-CA-C 116.243 1.942 . . . . 26.620000000000001 116.243 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -79.66 131.04 35.87 Favored 'General case' 0 C--O 1.184 -2.368 0 N-CA-C 113.639 0.977 . . . . 36.649999999999999 113.639 168.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -73.54 109.16 6.84 Favored 'General case' 0 C--O 1.183 -2.406 0 CA-C-O 119.055 -0.498 . . . . 22.66 111.06 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.0 mm -83.69 -37.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 113.397 0.888 . . . . 24.550000000000001 113.397 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.22 -147.79 16.61 Favored Glycine 0 C--O 1.204 -1.756 0 N-CA-C 116.524 1.37 . . . . 16.940000000000001 116.524 -175.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -95.91 -164.76 34.06 Favored Glycine 1 C--O 1.157 -4.711 0 O-C-N 121.268 -1.137 . . . . 16.030000000000001 115.73 -172.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.9 t -61.8 -47.57 84.55 Favored 'General case' 0 C--O 1.172 -3.002 0 CA-C-O 121.571 0.7 . . . . 20.210000000000001 112.256 -178.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -57.13 3.02 Favored 'General case' 0 C--O 1.201 -1.454 0 C-N-CA 125.977 1.711 . . . . 49.520000000000003 112.367 170.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.09 -40.67 90.4 Favored 'General case' 0 C--O 1.175 -2.839 0 CA-C-N 114.12 -1.4 . . . . 23.460000000000001 112.884 -172.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.6 tt -75.38 -38.08 39.48 Favored 'Isoleucine or valine' 0 C--O 1.161 -3.553 0 C-N-CA 120.496 -0.481 . . . . 27.420000000000002 110.522 -174.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -62.94 -42.61 99.86 Favored 'General case' 0 C--O 1.157 -3.81 0 N-CA-C 113.378 0.881 . . . . 20.850000000000001 113.378 173.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.6 mt -57.93 -45.38 87.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 N-CA-C 115.062 1.505 . . . . 29.719999999999999 115.062 171.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.93 -46.4 78.49 Favored 'General case' 0 C--O 1.159 -3.7 0 CA-C-N 115.855 -0.611 . . . . 23.77 111.186 172.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . 0.972 ' OD2' ' O ' ' A' ' 126' ' ' HOH . 16.8 t0 -65.38 -39.49 92.33 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 113.988 1.107 . . . . 26.489999999999998 113.988 178.931 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLY . . . . . 0.53 ' HA3' ' O ' ' A' ' 147' ' ' HOH . . . -61.4 -31.89 79.0 Favored Glycine 0 C--O 1.19 -2.595 0 CA-C-N 115.226 -0.897 . . . . 18.77 114.251 174.127 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.16 3.54 51.57 Favored 'General case' 0 C--O 1.169 -3.153 0 N-CA-C 114.18 1.178 . . . . 22.949999999999999 114.18 179.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.05 25.85 73.75 Favored Glycine 0 C--O 1.171 -3.843 0 N-CA-C 115.673 1.029 . . . . 26.199999999999999 115.673 -174.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -109.18 -7.36 15.31 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 115.664 1.727 . . . . 31.949999999999999 115.664 -175.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.9 tp -80.82 -45.36 17.04 Favored 'General case' 0 C--O 1.192 -1.933 0 C-N-CA 118.793 -1.163 . . . . 23.829999999999998 111.929 -174.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 87' ' ' HIS . 75.2 m-20 -59.34 -45.58 99.06 Favored Pre-proline 0 C--O 1.175 -2.829 0 CA-C-O 118.331 -0.842 . . . . 27.890000000000001 111.433 -174.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PRO . . . . . 0.777 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 24.4 Cg_exo -55.86 -16.98 17.16 Favored 'Trans proline' 0 C--O 1.189 -1.938 0 CA-C-N 120.873 1.347 . . . . 29.079999999999998 112.562 176.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . 0.505 ' C ' ' HB3' ' A' ' 87' ' ' HIS . 19.8 mt -90.04 -33.65 16.25 Favored 'General case' 0 C--O 1.183 -2.416 0 N-CA-C 115.158 1.54 . . . . 25.870000000000001 115.158 179.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . 0.596 ' N ' ' HA ' ' A' ' 87' ' ' HIS . 7.0 mp -70.9 -15.5 62.62 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 120.728 3.603 . . . . 29.440000000000001 120.728 -174.608 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HIS . . . . . 0.872 ' ND1' ' O ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER -124.43 101.86 7.37 Favored 'General case' 0 N--CA 1.387 -3.581 0 O-C-N 118.669 -2.519 . . . . 43.869999999999997 110.345 -18.773 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER . . . . . 0 CA--C 1.456 -2.669 1 N-CA-C 87.062 -8.866 . . . . 33.590000000000003 87.062 143.502 . . . . . . . . 3 3 . 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 . . . . . 0.546 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.972 ' O ' ' OD2' ' A' ' 77' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.605 ' O ' ' HD3' ' A' ' 27' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.44 ' O ' ' O ' ' A' ' 1' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.53 ' O ' ' HA3' ' A' ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . 0.636 ' O ' ' HA ' ' A' ' -1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . 0.638 ' O ' ' HA ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -10' ' ' MET . . . . . 0.486 ' O ' ' NE2' ' A' ' -6' ' ' HIS . 17.8 ttt . . . . . 0 C--O 1.17 -3.086 0 N-CA-C 107.678 -1.231 . . . . 60.16 107.678 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -54.07 134.21 43.85 Favored 'General case' 1 C--O 1.143 -4.511 0 N-CA-C 114.47 1.285 . . . . 41.32 114.47 -177.089 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 143.91 178.7 19.87 Favored Glycine 0 C--O 1.201 -1.925 0 N-CA-C 109.832 -1.307 . . . . 24.67 109.832 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -7' ' ' SER . . . . . . . . . . . . . 17.3 t -104.01 95.17 5.81 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 105.739 -1.949 . . . . 18.85 105.739 -175.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -6' ' ' HIS . . . . . 0.486 ' NE2' ' O ' ' A' ' -10' ' ' MET . 13.8 m-70 -98.39 141.77 30.86 Favored 'General case' 0 C--O 1.188 -2.18 0 O-C-N 124.519 1.137 . . . . 31.79 111.888 -174.246 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -95.32 125.34 39.88 Favored 'General case' 0 C--O 1.184 -2.344 0 CA-C-N 114.95 -1.023 . . . . 28.02 110.344 177.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -108.52 122.23 46.63 Favored 'General case' 0 C--O 1.168 -3.224 0 C-N-CA 123.068 0.547 . . . . 29.35 110.739 174.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' HIS . . . . . 0.657 ' HB3' ' CE1' ' A' ' -1' ' ' HIS . 44.0 t60 -163.47 48.61 0.14 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.545 -1.207 . . . . 42.21 113.758 163.052 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 11.6 m170 65.63 29.15 11.05 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.584 -0.735 . . . . 43.78 111.86 166.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' HIS . . . . . 0.657 ' CE1' ' HB3' ' A' ' -3' ' ' HIS . 5.9 m-70 -72.31 -17.66 61.84 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 119.096 -1.042 . . . . 53.36 109.736 -176.507 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 53.1 -118.49 8.29 Favored Glycine 0 CA--C 1.499 -0.952 0 N-CA-C 104.49 -3.444 . . . . 53.92 104.49 -172.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 139' ' ' HOH . 3.2 m -67.5 106.01 2.01 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.397 2.679 . . . . 52.47 114.996 171.365 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.638 ' HA ' ' O ' ' A' ' 159' ' ' HOH . . . -75.12 115.04 14.32 Favored 'General case' 0 CA--C 1.478 -1.803 0 CA-C-O 122.639 1.209 . . . . 46.07 111.75 -174.322 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.81 154.7 38.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 113.737 -1.574 . . . . 46.0 108.564 168.38 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.43 174.6 5.97 Favored 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 106.06 -1.83 . . . . 41.68 106.06 -175.151 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.86 138.22 57.86 Favored 'General case' 1 C--O 1.151 -4.124 0 C-N-CA 119.869 -0.732 . . . . 24.83 112.892 -178.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -90.01 115.65 27.45 Favored 'General case' 0 C--O 1.178 -2.693 0 N-CA-C 105.927 -1.879 . . . . 17.38 105.927 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 mt -120.12 126.13 74.96 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.009 0 N-CA-C 108.015 -1.106 . . . . 19.28 108.015 -176.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -132.12 141.36 49.12 Favored 'General case' 0 C--O 1.17 -3.094 0 C-N-CA 124.334 1.054 . . . . 16.05 110.636 -174.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tt -138.65 125.16 25.22 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.668 0 O-C-N 124.781 1.301 . . . . 16.06 113.028 172.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -90.22 131.08 36.24 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 107.534 -1.284 . . . . 16.88 107.534 173.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.5 p -139.32 156.65 46.88 Favored 'General case' 0 C--O 1.175 -2.864 0 N-CA-C 116.134 1.902 . . . . 15.16 116.134 -174.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -97.52 128.91 44.65 Favored 'General case' 0 C--O 1.176 -2.765 0 N-CA-C 107.985 -1.117 . . . . 21.16 107.985 147.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.4 p -49.99 -40.54 44.6 Favored 'General case' 0 C--O 1.168 -3.216 0 N-CA-C 113.707 1.003 . . . . 17.0 113.707 -177.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -98.23 11.9 36.39 Favored 'General case' 0 C--O 1.191 -1.975 0 N-CA-C 116.346 1.98 . . . . 18.53 116.346 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 t -76.02 124.37 88.4 Favored Pre-proline 0 N--CA 1.42 -1.973 0 CA-C-O 122.069 0.938 . . . . 14.57 110.698 174.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -66.63 -29.55 43.46 Favored 'Trans proline' 0 C--O 1.162 -3.325 0 C-N-CA 120.485 0.79 . . . . 14.18 111.016 -174.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.31 -44.36 59.18 Favored 'General case' 0 C--O 1.154 -3.923 0 C-N-CA 122.268 0.227 . . . . 21.59 111.604 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.9 m -59.29 -43.55 92.56 Favored 'General case' 0 C--O 1.166 -3.3 0 O-C-N 124.08 0.863 . . . . 22.0 109.149 174.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.4 mtp -63.18 -43.98 96.71 Favored 'General case' 0 C--O 1.159 -3.667 0 CA-C-N 118.4 0.545 . . . . 18.6 112.318 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -57.14 -43.0 82.0 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 114.062 1.134 . . . . 31.92 114.062 174.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.18 95.1 Favored 'General case' 0 C--O 1.176 -2.796 0 CA-C-O 121.278 0.561 . . . . 16.72 110.561 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.89 -47.61 84.34 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 113.439 0.903 . . . . 20.86 113.439 178.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.4 -47.13 56.59 Favored 'General case' 0 C--O 1.167 -3.241 0 O-C-N 123.844 0.715 . . . . 19.09 109.719 174.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.13 -51.72 67.9 Favored 'General case' 0 C--O 1.181 -2.511 0 N-CA-C 113.248 0.833 . . . . 16.67 113.248 -175.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.55 -39.87 94.99 Favored 'General case' 1 C--O 1.151 -4.083 0 CA-C-O 118.874 -0.584 . . . . 18.38 112.151 176.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -64.24 -39.28 93.63 Favored 'General case' 0 C--O 1.168 -3.22 0 N-CA-C 108.511 -0.922 . . . . 26.4 108.511 -177.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.605 ' HD3' ' O ' ' A' ' 136' ' ' HOH . 12.7 mtm-85 -57.96 -40.85 81.61 Favored 'General case' 0 C--O 1.172 -3.005 0 N-CA-C 115.814 1.783 . . . . 31.03 115.814 172.767 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -61.04 -19.47 61.41 Favored 'General case' 1 C--O 1.138 -4.791 0 N-CA-C 116.243 1.942 . . . . 18.53 116.243 169.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.9 8.25 82.25 Favored Glycine 1 C--O 1.164 -4.255 0 CA-C-N 119.384 0.993 . . . . 16.25 115.319 -175.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 m -70.58 158.17 6.3 Favored 'Isoleucine or valine' 0 C--O 1.174 -2.917 0 N-CA-C 114.078 1.14 . . . . 26.5 114.078 177.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -93.25 125.47 37.87 Favored 'General case' 0 N--CA 1.418 -2.052 0 CA-C-N 114.901 -1.045 . . . . 44.57 109.902 176.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -149.0 163.05 38.65 Favored 'General case' 0 C--O 1.195 -1.777 0 N-CA-C 115.918 1.822 . . . . 20.04 115.918 -179.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -107.95 120.77 43.24 Favored 'General case' 1 C--O 1.139 -4.719 0 CA-C-N 112.863 -1.971 . . . . 19.73 112.299 -178.473 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' OE2' ' SG ' ' A' ' 36' ' ' CYS . 66.2 tt0 -103.69 119.79 39.61 Favored 'General case' 0 C--O 1.176 -2.787 0 C-N-CA 123.258 0.623 . . . . 18.67 110.898 178.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -97.0 85.45 3.75 Favored 'General case' 0 C--O 1.186 -2.263 0 N-CA-C 105.947 -1.872 . . . . 13.84 105.947 175.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.409 ' SG ' ' OE2' ' A' ' 34' ' ' GLU . 48.0 t -68.7 84.9 0.3 Allowed 'General case' 1 CA--C 1.65 4.806 0 N-CA-C 119.441 3.126 . . . . 31.85 119.441 170.541 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.7 pt -91.91 26.97 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.191 -1.988 1 CA-C-N 107.875 -4.239 . . . . 18.26 115.665 -170.896 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -37.77 119.71 0.77 Allowed 'General case' 0 C--O 1.176 -2.798 0 N-CA-C 112.864 0.69 . . . . 18.31 112.864 171.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.84 8.31 27.36 Favored Glycine 0 CA--C 1.545 1.914 0 N-CA-C 117.356 1.703 . . . . 18.58 117.356 174.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -98.33 95.6 7.47 Favored 'General case' 1 C--O 1.148 -4.287 0 C-N-CA 124.447 1.099 . . . . 23.97 112.552 -176.455 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -69.37 -37.67 77.69 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 113.304 -1.771 . . . . 19.25 113.506 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -57.37 -45.51 84.33 Favored 'General case' 0 C--O 1.199 -1.571 0 C-N-CA 123.146 0.578 . . . . 45.25 112.108 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.72 -33.13 74.28 Favored 'General case' 0 C--O 1.19 -2.041 0 CA-C-N 115.495 -0.775 . . . . 16.6 110.077 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.6 tpp85 -63.79 -39.32 93.98 Favored 'General case' 1 C--O 1.119 -5.779 0 CA-C-O 121.917 0.865 . . . . 17.04 108.924 177.083 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -66.89 -45.19 78.78 Favored 'General case' 0 C--O 1.171 -3.062 0 N-CA-C 108.053 -1.091 . . . . 26.49 108.053 -179.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.61 -48.98 74.0 Favored 'General case' 0 C--O 1.176 -2.802 0 N-CA-C 107.579 -1.267 . . . . 16.83 107.579 176.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 41.0 ttp -53.83 -50.9 65.16 Favored 'General case' 1 C--O 1.145 -4.399 0 N-CA-C 112.722 0.638 . . . . 21.68 112.722 178.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -35.1 72.26 Favored 'General case' 0 C--O 1.165 -3.381 0 O-C-N 124.425 1.078 . . . . 19.53 112.193 -175.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.546 ' O ' ' O ' ' A' ' 122' ' ' HOH . . . -58.52 -38.95 78.82 Favored 'General case' 0 C--O 1.16 -3.649 0 CA-C-N 115.319 -0.855 . . . . 16.58 112.241 178.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -84.6 -25.86 28.33 Favored 'General case' 0 C--O 1.183 -2.439 0 N-CA-C 114.111 1.152 . . . . 18.71 114.111 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.12 28.38 5.86 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 123.423 0.689 . . . . 19.83 111.974 -166.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 t30 67.36 33.26 5.42 Favored 'General case' 0 N--CA 1.396 -3.143 0 CA-C-N 114.654 -1.157 . . . . 37.06 112.448 173.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.85 -9.0 67.11 Favored Glycine 0 N--CA 1.427 -1.903 0 CA-C-N 114.733 -1.121 . . . . 24.48 113.743 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -74.31 133.42 42.58 Favored 'General case' 0 C--O 1.21 -0.99 0 N-CA-C 112.624 0.602 . . . . 34.48 112.624 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.863 ' HG3' HH11 ' A' ' 55' ' ' ARG . 8.1 mtt85 -109.73 4.33 21.76 Favored 'General case' 0 C--O 1.158 -3.735 0 N-CA-C 115.665 1.728 . . . . 30.62 115.665 173.925 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.6 p -67.8 157.4 34.87 Favored 'General case' 0 C--O 1.169 -3.174 0 N-CA-C 108.533 -0.914 . . . . 17.18 108.533 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.3 mt -123.98 156.53 65.7 Favored Pre-proline 0 C--O 1.203 -1.349 0 CA-C-O 118.133 -0.937 . . . . 19.04 113.181 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -71.44 178.92 27.48 Favored 'Cis proline' 0 CA--C 1.561 1.854 0 C-N-CA 123.038 -1.651 . . . . 15.26 113.514 -12.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -129.65 126.93 39.51 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-N 115.059 -0.973 . . . . 18.16 109.305 165.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.2 mt -112.6 142.63 24.36 Favored 'Isoleucine or valine' 0 C--O 1.162 -3.55 0 CA-C-N 114.759 -1.11 . . . . 19.87 113.544 -175.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -137.44 133.14 34.36 Favored 'General case' 0 C--O 1.175 -2.831 0 C-N-CA 125.556 1.542 . . . . 20.46 112.165 177.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.5 mt -127.24 118.13 49.12 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.191 0 C-N-CA 125.6 1.56 . . . . 16.18 110.124 175.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 50.74 49.77 20.3 Favored 'General case' 0 C--O 1.161 -3.584 0 CA-C-N 114.147 -1.388 . . . . 33.07 110.593 -172.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 62.24 3.66 1.07 Allowed 'General case' 0 C--O 1.173 -2.923 0 N-CA-C 116.243 1.942 . . . . 26.62 116.243 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -79.66 131.04 35.87 Favored 'General case' 0 C--O 1.184 -2.368 0 N-CA-C 113.639 0.977 . . . . 36.65 113.639 168.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -73.54 109.16 6.84 Favored 'General case' 0 C--O 1.183 -2.406 0 CA-C-O 119.055 -0.498 . . . . 22.66 111.06 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.0 mm -83.69 -37.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 113.397 0.888 . . . . 24.55 113.397 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.22 -147.79 16.61 Favored Glycine 0 C--O 1.204 -1.756 0 N-CA-C 116.524 1.37 . . . . 16.94 116.524 -175.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -95.91 -164.76 34.06 Favored Glycine 1 C--O 1.157 -4.711 0 O-C-N 121.268 -1.137 . . . . 16.03 115.73 -172.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 36.9 t -61.8 -47.57 84.55 Favored 'General case' 0 C--O 1.172 -3.002 0 CA-C-O 121.571 0.7 . . . . 20.21 112.256 -178.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -57.13 3.02 Favored 'General case' 0 C--O 1.201 -1.454 0 C-N-CA 125.977 1.711 . . . . 49.52 112.367 170.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.09 -40.67 90.4 Favored 'General case' 0 C--O 1.175 -2.839 0 CA-C-N 114.12 -1.4 . . . . 23.46 112.884 -172.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.6 tt -75.38 -38.08 39.48 Favored 'Isoleucine or valine' 0 C--O 1.161 -3.553 0 C-N-CA 120.496 -0.481 . . . . 27.42 110.522 -174.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -62.94 -42.61 99.86 Favored 'General case' 0 C--O 1.157 -3.81 0 N-CA-C 113.378 0.881 . . . . 20.85 113.378 173.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.6 mt -57.93 -45.38 87.74 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 N-CA-C 115.062 1.505 . . . . 29.72 115.062 171.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.93 -46.4 78.49 Favored 'General case' 0 C--O 1.159 -3.7 0 CA-C-N 115.855 -0.611 . . . . 23.77 111.186 172.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.972 ' OD2' ' O ' ' A' ' 126' ' ' HOH . 16.8 t0 -65.38 -39.49 92.33 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 113.988 1.107 . . . . 26.49 113.988 178.931 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.53 ' HA3' ' O ' ' A' ' 147' ' ' HOH . . . -61.4 -31.89 79.0 Favored Glycine 0 C--O 1.19 -2.595 0 CA-C-N 115.226 -0.897 . . . . 18.77 114.251 174.127 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.16 3.54 51.57 Favored 'General case' 0 C--O 1.169 -3.153 0 N-CA-C 114.18 1.178 . . . . 22.95 114.18 179.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.05 25.85 73.75 Favored Glycine 0 C--O 1.171 -3.843 0 N-CA-C 115.673 1.029 . . . . 26.2 115.673 -174.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -109.18 -7.36 15.31 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 115.664 1.727 . . . . 31.95 115.664 -175.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.9 tp -80.82 -45.36 17.04 Favored 'General case' 0 C--O 1.192 -1.933 0 C-N-CA 118.793 -1.163 . . . . 23.83 111.929 -174.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 87' ' ' HIS . 75.2 m-20 -59.34 -45.58 99.06 Favored Pre-proline 0 C--O 1.175 -2.829 0 CA-C-O 118.331 -0.842 . . . . 27.89 111.433 -174.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.777 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 24.4 Cg_exo -55.86 -16.98 17.16 Favored 'Trans proline' 0 C--O 1.189 -1.938 0 CA-C-N 120.873 1.347 . . . . 29.08 112.562 176.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.505 ' C ' ' HB3' ' A' ' 87' ' ' HIS . 19.8 mt -90.04 -33.65 16.25 Favored 'General case' 0 C--O 1.183 -2.416 0 N-CA-C 115.158 1.54 . . . . 25.87 115.158 179.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.596 ' N ' ' HA ' ' A' ' 87' ' ' HIS . 7.0 mp -70.9 -15.5 62.62 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 120.728 3.603 . . . . 29.44 120.728 -174.608 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.872 ' O ' ' ND1' ' A' ' 87' ' ' HIS . 0.0 OUTLIER -124.43 101.86 7.37 Favored 'General case' 0 N--CA 1.387 -3.581 0 O-C-N 118.669 -2.519 . . . . 43.87 110.345 -18.773 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER . . . . . 0 CA--C 1.456 -2.669 1 N-CA-C 87.062 -8.866 . . . . 33.59 87.062 143.502 . . . . . . . . 3 3 . 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 . . . . . 0.546 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.972 ' O ' ' OD2' ' A' ' 77' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.605 ' O ' ' HD3' ' A' ' 27' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.44 ' O ' ' O ' ' A' ' 1' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.53 ' O ' ' HA3' ' A' ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . 0.636 ' O ' ' HA ' ' A' ' -1' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . 0.638 ' O ' ' HA ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_