data_1chi_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 1chi _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 ' -5' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 124.744 2.211 . . . . 53.3 107.207 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . 0.301 25.3 tt0 -156.98 29.62 0.31 Allowed 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 131.294 3.838 . . . . 56.21 104.501 176.279 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -148.26 141.61 25.23 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 110.189 -3.187 . . . . 45.32 111.675 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.74 149.86 52.19 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.94 -0.763 . . . . 48.3 108.94 177.928 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -69.25 140.57 54.48 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 126.511 2.382 . . . . 34.87 112.261 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -122.54 -158.36 10.23 Favored Glycine 0 C--O 1.244 0.781 0 CA-C-N 112.159 -2.292 . . . . 29.08 110.05 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . 0.491 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 3.8 t -83.03 119.28 24.27 Favored 'General case' 0 C--O 1.278 2.587 0 CA-C-O 116.607 -1.663 . . . . 21.3 110.666 179.215 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.48 -24.41 61.18 Favored 'General case' 0 N--CA 1.509 2.524 0 C-N-CA 114.23 -2.988 . . . . 17.52 109.133 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -66.54 -46.51 75.9 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-O 125.556 2.598 . . . . 29.19 111.446 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' NZ ' ' O ' ' A' ' 160' ' ' HOH . 1.3 tptm -61.79 -47.33 85.65 Favored 'General case' 0 C--O 1.269 2.124 0 CA-C-N 112.054 -2.339 . . . . 17.3 109.234 -179.993 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.49 95.28 Favored Glycine 0 C--O 1.271 2.464 0 CA-C-N 112.403 -2.18 . . . . 11.31 108.024 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.2 -30.57 70.5 Favored 'General case' 0 C--O 1.264 1.819 0 CA-C-O 116.441 -1.742 . . . . 14.05 112.727 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.3 p -88.85 -18.41 27.68 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 125.785 1.928 . . . . 14.95 108.292 179.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -71.73 -39.27 70.2 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 127.715 3.626 . . . . 16.29 107.382 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' CYS . 44.3 t80 -63.64 -58.85 5.63 Favored 'General case' 0 C--O 1.3 3.716 0 CA-C-N 109.692 -3.413 . . . . 8.12 109.634 -178.423 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' PHE . 27.7 mttt -49.35 -53.05 24.29 Favored 'General case' 0 N--CA 1.518 2.941 0 C-N-CA 114.791 -2.764 . . . . 16.65 108.161 179.951 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.274 44.8 p -64.76 -28.82 69.84 Favored 'General case' 0 C--O 1.253 1.249 1 CA-C-O 111.016 -4.325 . . . . 13.67 113.98 -178.827 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' NH1' ' O ' ' A' ' 224' ' ' HOH 0.261 63.3 mtt180 -117.25 -28.1 6.26 Favored 'General case' 0 C--O 1.29 3.189 1 N-CA-C 123.605 4.668 . . . . 25.6 123.605 -174.127 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' PHE . 47.3 m -109.61 -42.31 4.34 Favored 'General case' 0 C--O 1.28 2.665 0 N-CA-C 113.283 0.846 . . . . 9.13 113.283 -178.56 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 tp -40.43 -41.87 1.49 Allowed 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 130.969 3.708 . . . . 15.16 116.803 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -52.52 -25.65 10.91 Favored 'General case' 0 C--O 1.278 2.575 0 C-N-CA 128.993 2.917 . . . . 12.38 107.579 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -133.58 5.41 3.7 Favored 'General case' 0 C--O 1.276 2.451 1 O-C-N 130.672 4.983 . . . . 6.45 112.841 177.856 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -146.67 158.2 43.86 Favored 'General case' 0 C--O 1.257 1.461 1 CA-C-O 129.395 4.426 . . . . 7.59 120.339 -177.016 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.7 p -121.24 145.16 48.14 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 109.642 -3.435 . . . . 7.81 108.251 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.307 15.8 m -111.94 -12.19 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.757 0 C-N-CA 114.01 -3.076 . . . . 9.98 112.571 179.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -73.19 141.1 47.37 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 121.146 3.758 . . . . 33.09 121.146 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 117.98 12.19 Favored 'General case' 0 N--CA 1.519 2.976 0 C-N-CA 115.296 -2.562 . . . . 21.04 106.143 178.985 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 133' ' ' HOH . . . 98.21 8.53 55.04 Favored Glycine 0 N--CA 1.481 1.691 0 CA-C-O 123.702 1.723 . . . . 12.83 111.961 -178.356 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.21 150.4 27.35 Favored Glycine 0 CA--C 1.551 2.3 1 N-CA-C 102.024 -4.43 . . . . 12.6 102.024 178.822 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -83.07 151.84 14.12 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 O-C-N 126.631 2.911 . . . . 11.03 118.492 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -68.56 162.44 25.79 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 102.179 -3.267 . . . . 9.5 102.179 172.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.284 3.9 mtmt -143.19 -135.94 0.1 Allowed 'General case' 0 C--O 1.284 2.899 0 N-CA-C 105.982 -1.859 . . . . 10.32 105.982 -179.724 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.0 t -58.91 -44.94 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 N-CA-C 103.731 -2.692 . . . . 6.53 103.731 174.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.78 165.94 15.6 Favored Glycine 1 N--CA 1.518 4.11 2 O-C-N 129.523 4.264 . . . . 5.3 104.72 -179.956 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.12 155.95 51.9 Favored 'Trans proline' 0 C--O 1.271 2.146 1 O-C-N 131.594 5.523 . . . . 5.09 111.824 179.738 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.18 153.94 42.87 Favored 'General case' 0 N--CA 1.521 3.101 0 N-CA-C 101.215 -3.624 . . . . 12.33 101.215 179.137 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -107.98 6.04 26.77 Favored 'General case' 0 C--O 1.28 2.685 0 O-C-N 128.051 3.344 . . . . 8.02 112.123 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -52.88 136.05 35.02 Favored 'General case' 0 N--CA 1.537 3.887 0 C-N-CA 114.284 -2.966 . . . . 20.18 108.74 -176.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 196' ' ' HOH . . . 68.81 29.85 72.59 Favored Glycine 0 C--O 1.272 2.504 0 O-C-N 124.731 1.27 . . . . 13.84 116.044 178.734 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.2 tp -67.82 -35.07 71.09 Favored 'Isoleucine or valine' 0 C--O 1.272 2.266 0 N-CA-C 119.331 3.085 . . . . 18.84 119.331 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -75.71 135.04 40.37 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-O 125.41 2.529 . . . . 19.4 111.291 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.23 -17.07 25.57 Favored Glycine 0 CA--C 1.548 2.109 0 CA-C-O 114.073 -3.626 . . . . 22.34 108.729 -176.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' NH2' ' O ' ' A' ' 168' ' ' HOH . 19.1 ttp180 -97.14 151.25 19.98 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 121.169 2.484 . . . . 30.23 107.011 178.384 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -87.79 146.12 25.78 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 126.635 2.459 . . . . 21.4 112.251 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 p -52.41 137.92 28.35 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 127.041 2.136 . . . . 13.84 111.029 176.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' CA ' ' CZ ' ' A' ' 48' ' ' TYR . . . 82.34 18.83 65.75 Favored Glycine 0 C--O 1.294 3.905 0 N-CA-C 120.751 3.06 . . . . 15.89 120.751 178.772 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -107.76 -12.55 15.19 Favored 'General case' 0 C--O 1.27 2.181 0 CA-C-O 115.688 -2.101 . . . . 24.47 116.108 -175.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.65 135.59 56.74 Favored 'General case' 0 CA--C 1.56 1.34 0 N-CA-C 103.636 -2.727 . . . . 18.96 103.636 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 136.65 32.93 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 128.92 3.888 . . . . 33.43 110.454 -179.724 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.65 2.55 59.89 Favored Glycine 0 N--CA 1.427 -1.948 0 CA-C-N 111.281 -2.69 . . . . 18.92 109.816 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . 0.265 25.9 t80 -107.3 137.06 46.05 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 126.477 1.927 . . . . 19.09 112.09 179.094 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 t -93.56 95.41 9.21 Favored 'General case' 0 C--O 1.273 2.297 0 CA-C-N 109.397 -3.547 . . . . 16.95 113.131 178.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CZ ' ' CA ' ' A' ' 41' ' ' GLY . 17.9 m-85 -94.91 165.37 12.49 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 124.065 1.888 . . . . 17.65 110.78 -178.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -74.38 168.54 19.48 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 105.052 -2.203 . . . . 17.6 105.052 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -66.93 -30.72 70.94 Favored 'General case' 0 CA--C 1.557 1.247 0 O-C-N 128.543 3.652 . . . . 23.64 104.103 179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.45 -53.97 51.21 Favored 'General case' 0 C--O 1.261 1.697 0 N-CA-C 118.875 2.917 . . . . 24.85 118.875 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -63.29 -43.97 96.36 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 124.386 1.054 . . . . 25.77 109.012 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.0 mt -58.2 -55.58 21.35 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 1 O-C-N 129.239 4.087 . . . . 29.36 112.412 -178.556 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -60.29 -28.95 68.5 Favored 'General case' 0 C--O 1.254 1.295 0 N-CA-C 117.038 2.236 . . . . 38.51 117.038 -178.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -64.4 -31.44 72.65 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 124.274 1.988 . . . . 30.77 110.351 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.261 1.2 t-20 47.57 40.24 11.18 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 112.656 -2.066 . . . . 40.12 109.348 -177.386 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.1 t -59.91 140.65 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-N 113.492 -1.686 . . . . 29.51 108.521 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 184' ' ' HOH . 0.5 OUTLIER -106.06 112.82 26.03 Favored 'General case' 0 N--CA 1.504 2.239 1 N-CA-C 98.325 -4.694 . . . . 33.52 98.325 177.01 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -78.76 112.01 15.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 117.684 2.476 . . . . 28.45 117.684 -175.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 2.2 p30 -127.06 158.89 35.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 126.162 2.164 . . . . 26.89 106.163 177.019 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -42.02 -40.98 2.4 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 127.491 2.994 . . . . 28.19 111.16 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 75.1 m-20 -71.63 -48.28 48.95 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.626 1.57 . . . . 30.68 113.864 -178.159 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -45.36 84.93 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 128.386 3.946 . . . . 24.79 110.42 -179.619 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 60.0 tpp -59.57 -35.82 75.02 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 108.612 -3.903 . . . . 20.07 111.629 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -68.17 -46.29 71.15 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 124.161 1.934 . . . . 14.74 112.013 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.61 -46.9 83.65 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-N 111.925 -2.398 . . . . 38.1 108.768 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -56.26 -53.57 55.62 Favored 'General case' 0 C--O 1.269 2.104 0 CA-C-N 114.503 -1.226 . . . . 20.45 108.898 179.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.83 -17.78 10.57 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 115.462 1.652 . . . . 15.13 115.462 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 m -72.34 -41.04 66.93 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 125.137 1.523 . . . . 17.25 112.053 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.68 88.48 0.93 Allowed Pre-proline 0 C--N 1.315 -0.898 0 C-N-CA 127.865 2.466 . . . . 24.26 108.295 -179.533 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -53.68 -54.76 4.33 Favored 'Trans proline' 0 C--O 1.254 1.277 0 N-CA-C 109.283 -1.084 . . . . 13.81 109.283 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.185 0 O-C-N 126.397 2.311 . . . . 20.93 116.108 -178.923 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -72.86 -51.38 18.99 Favored 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 103.727 -2.694 . . . . 23.2 103.727 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -59.6 -39.06 82.94 Favored 'General case' 0 C--O 1.26 1.617 0 O-C-N 127.357 2.91 . . . . 27.75 117.037 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 20.9 mt -138.27 76.42 37.95 Favored Pre-proline 0 C--O 1.25 1.119 0 N-CA-C 106.168 -1.79 . . . . 21.77 106.168 178.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -64.84 134.6 40.99 Favored 'Trans proline' 0 C--O 1.256 1.388 0 O-C-N 126.374 2.776 . . . . 20.81 108.637 -177.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 215' ' ' HOH . . . 99.48 -4.58 58.31 Favored Glycine 0 CA--C 1.553 2.414 0 O-C-N 128.509 3.63 . . . . 18.0 108.827 -178.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 t -68.7 146.06 53.3 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-O 114.218 -2.801 . . . . 11.88 106.432 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -97.06 8.23 44.96 Favored 'General case' 0 C--O 1.264 1.863 0 O-C-N 126.841 2.588 . . . . 10.52 111.958 -179.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.2 ttt -76.29 118.75 19.33 Favored 'General case' 0 N--CA 1.538 3.961 0 N-CA-C 101.655 -3.461 . . . . 8.89 101.655 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.18 57.89 3.16 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 127.497 2.998 . . . . 15.01 110.416 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -121.08 134.2 55.25 Favored 'General case' 0 N--CA 1.511 2.604 0 C-N-CA 112.302 -3.759 . . . . 16.7 102.35 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.77 98.75 Favored Glycine 0 N--CA 1.437 -1.292 0 CA-C-N 120.98 1.718 . . . . 13.32 115.306 -178.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . 0.503 ' CA ' ' NZ ' ' A' ' 86' ' ' LYS . . . 133.46 161.85 9.9 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 108.668 -1.773 . . . . 14.88 108.668 179.111 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.76 87.28 2.45 Favored 'General case' 0 CA--C 1.564 1.511 1 C-N-CA 132.491 4.317 . . . . 14.54 105.055 179.768 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . 0.503 ' NZ ' ' CA ' ' A' ' 84' ' ' GLY . 9.6 mmtt -59.09 -36.53 75.27 Favored 'General case' 0 C--O 1.255 1.355 0 CA-C-N 110.564 -3.017 . . . . 26.29 111.182 -176.869 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.54 114.2 23.08 Favored 'General case' 0 C--O 1.266 1.949 0 O-C-N 128.479 3.612 . . . . 28.02 117.299 -177.21 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -48.84 -46.76 42.62 Favored 'General case' 0 C--O 1.278 2.602 0 C-N-CA 127.093 2.157 . . . . 24.85 112.462 177.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -63.56 -37.98 89.37 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.766 -0.652 . . . . 20.67 109.244 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.57 -54.11 50.3 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 122.39 1.091 . . . . 19.55 110.052 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -57.67 -47.72 81.52 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.951 1.301 . . . . 15.62 112.518 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 144' ' ' HOH . 95.3 m-20 -50.68 -54.22 24.88 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 125.715 2.674 . . . . 12.34 108.327 179.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 2' ' ' SER . 78.9 m-20 -51.16 -54.66 23.26 Favored 'General case' 0 C--O 1.261 1.695 0 CA-C-N 109.227 -3.624 . . . . 10.01 108.428 179.649 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -49.33 74.74 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-O 112.347 -3.692 . . . . 11.45 114.184 -177.524 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 99' ' ' LYS . 7.9 mt -69.6 -28.94 39.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 1 O-C-N 129.806 4.441 . . . . 11.65 108.877 -177.355 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.4 m -62.07 -47.96 82.32 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 104.701 -2.333 . . . . 19.05 104.701 175.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -56.63 -56.44 21.36 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-N 112.604 -2.089 . . . . 18.97 110.469 -179.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' LYS . 6.5 mt -58.62 -54.07 51.21 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-N 113.624 -1.625 . . . . 20.64 110.86 -178.425 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -32.52 -56.19 0.35 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 125.962 2.039 . . . . 34.24 107.933 179.396 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -74.11 -42.35 60.19 Favored 'General case' 0 C--O 1.283 2.842 0 N-CA-C 120.055 3.354 . . . . 33.28 120.055 -176.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.45 36.22 Favored 'General case' 0 C--O 1.277 2.523 0 N-CA-C 118.198 2.666 . . . . 17.92 118.198 -176.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.9 p -88.02 2.76 51.06 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.27 -1.011 . . . . 24.57 108.27 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 C--O 1.278 2.567 0 N-CA-C 117.861 2.541 . . . . 32.71 117.861 -178.905 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . 0.444 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' 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 ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' 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 ' 144' ' ' HOH . . . . . 0.482 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' 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 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . 0.406 ' O ' ' NZ ' ' A' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . 0.465 ' O ' ' NH2' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' HOH . . . . . 0.514 ' O ' ' CD1' ' A' ' 58' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' HOH . . . . . 0.411 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . 0.487 ' O ' ' N ' ' A' ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . 0.433 ' O ' ' NH1' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -5' ' ' THR . . . . . 0.62 ' HB ' HD21 ' A' ' 62' ' ' ASN . 32.0 p . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 124.744 2.211 . . . . 53.3 107.207 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . 0.301 25.3 tt0 -156.98 29.62 0.31 Allowed 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 131.294 3.838 . . . . 56.21 104.501 176.279 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -148.26 141.61 25.23 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 110.189 -3.187 . . . . 45.32 111.675 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.74 149.86 52.19 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.94 -0.763 . . . . 48.3 108.94 177.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -1' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 244' ' ' HOH . . . -69.25 140.57 54.48 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 126.511 2.382 . . . . 34.87 112.261 -179.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' HG21 ' A' ' 96' ' ' THR . . . -122.54 -158.36 10.23 Favored Glycine 0 C--O 1.244 0.781 0 CA-C-N 112.159 -2.292 . . . . 29.08 110.05 -178.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . 0.431 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 3.8 t -83.03 119.28 24.27 Favored 'General case' 0 C--O 1.278 2.587 0 CA-C-O 116.607 -1.663 . . . . 21.3 110.666 179.215 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.48 -24.41 61.18 Favored 'General case' 0 N--CA 1.509 2.524 0 C-N-CA 114.23 -2.988 . . . . 17.52 109.133 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -66.54 -46.51 75.9 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-O 125.556 2.598 . . . . 29.19 111.446 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' O ' HD13 ' A' ' 9' ' ' LEU . 1.3 tptm -61.79 -47.33 85.65 Favored 'General case' 0 C--O 1.269 2.124 0 CA-C-N 112.054 -2.339 . . . . 17.3 109.234 -179.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.49 95.28 Favored Glycine 0 C--O 1.271 2.464 0 CA-C-N 112.403 -2.18 . . . . 11.31 108.024 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 11' ' ' LYS . . . -61.2 -30.57 70.5 Favored 'General case' 0 C--O 1.264 1.819 0 CA-C-O 116.441 -1.742 . . . . 14.05 112.727 -179.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.3 p -88.85 -18.41 27.68 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 125.785 1.928 . . . . 14.95 108.292 179.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . 0.529 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 4.5 mp -71.73 -39.27 70.2 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 127.715 3.626 . . . . 16.29 107.382 -179.891 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CD2' ' HB2' ' A' ' 14' ' ' CYS . 44.3 t80 -63.64 -58.85 5.63 Favored 'General case' 0 C--O 1.3 3.716 0 CA-C-N 109.692 -3.413 . . . . 8.12 109.634 -178.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 27.7 mttt -49.35 -53.05 24.29 Favored 'General case' 0 N--CA 1.518 2.941 0 C-N-CA 114.791 -2.764 . . . . 16.65 108.161 179.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.274 44.8 p -64.76 -28.82 69.84 Favored 'General case' 0 C--O 1.253 1.249 1 CA-C-O 111.016 -4.325 . . . . 13.67 113.98 -178.827 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . 0.59 ' HD3' ' OH ' ' A' ' 82' ' ' TYR 0.261 63.3 mtt180 -117.25 -28.1 6.26 Favored 'General case' 0 C--O 1.29 3.189 1 N-CA-C 123.605 4.668 . . . . 25.6 123.605 -174.127 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . 0.502 ' HB2' ' CD2' ' A' ' 10' ' ' PHE . 47.3 m -109.61 -42.31 4.34 Favored 'General case' 0 C--O 1.28 2.665 0 N-CA-C 113.283 0.846 . . . . 9.13 113.283 -178.56 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 21.3 tp -40.43 -41.87 1.49 Allowed 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 130.969 3.708 . . . . 15.16 116.803 -176.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -52.52 -25.65 10.91 Favored 'General case' 0 C--O 1.278 2.575 0 C-N-CA 128.993 2.917 . . . . 12.38 107.579 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -133.58 5.41 3.7 Favored 'General case' 0 C--O 1.276 2.451 1 O-C-N 130.672 4.983 . . . . 6.45 112.841 177.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . 0.687 ' HE1' ' HD2' ' A' ' 30' ' ' PRO . 93.1 m-70 -146.67 158.2 43.86 Favored 'General case' 0 C--O 1.257 1.461 1 CA-C-O 129.395 4.426 . . . . 7.59 120.339 -177.016 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . 0.585 ' OG1' ' HB2' ' A' ' 31' ' ' ASN . 72.7 p -121.24 145.16 48.14 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 109.642 -3.435 . . . . 7.81 108.251 178.911 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.307 15.8 m -111.94 -12.19 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.757 0 C-N-CA 114.01 -3.076 . . . . 9.98 112.571 179.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.686 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 8.8 pm0 -73.19 141.1 47.37 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 121.146 3.758 . . . . 33.09 121.146 -178.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -69.92 117.98 12.19 Favored 'General case' 0 N--CA 1.519 2.976 0 C-N-CA 115.296 -2.562 . . . . 21.04 106.143 178.985 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.21 8.53 55.04 Favored Glycine 0 N--CA 1.481 1.691 0 CA-C-O 123.702 1.723 . . . . 12.83 111.961 -178.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . 0.686 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -83.21 150.4 27.35 Favored Glycine 0 CA--C 1.551 2.3 1 N-CA-C 102.024 -4.43 . . . . 12.6 102.024 178.822 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -83.07 151.84 14.12 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 O-C-N 126.631 2.911 . . . . 11.03 118.492 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -68.56 162.44 25.79 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 102.179 -3.267 . . . . 9.5 102.179 172.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HB3' ' H ' ' A' ' 28' ' ' VAL 0.284 3.9 mtmt -143.19 -135.94 0.1 Allowed 'General case' 0 C--O 1.284 2.899 0 N-CA-C 105.982 -1.859 . . . . 10.32 105.982 -179.724 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . 0.412 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 4.0 t -58.91 -44.94 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 N-CA-C 103.731 -2.692 . . . . 6.53 103.731 174.65 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.78 165.94 15.6 Favored Glycine 1 N--CA 1.518 4.11 2 O-C-N 129.523 4.264 . . . . 5.3 104.72 -179.956 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . 0.687 ' HD2' ' HE1' ' A' ' 18' ' ' HIS . 73.3 Cg_endo -73.12 155.95 51.9 Favored 'Trans proline' 0 C--O 1.271 2.146 1 O-C-N 131.594 5.523 . . . . 5.09 111.824 179.738 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . 0.585 ' HB2' ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -69.18 153.94 42.87 Favored 'General case' 0 N--CA 1.521 3.101 0 N-CA-C 101.215 -3.624 . . . . 12.33 101.215 179.137 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -107.98 6.04 26.77 Favored 'General case' 0 C--O 1.28 2.685 0 O-C-N 128.051 3.344 . . . . 8.02 112.123 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -52.88 136.05 35.02 Favored 'General case' 0 N--CA 1.537 3.887 0 C-N-CA 114.284 -2.966 . . . . 20.18 108.74 -176.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . 0.612 ' HA2' ' O ' ' A' ' 196' ' ' HOH . . . 68.81 29.85 72.59 Favored Glycine 0 C--O 1.272 2.504 0 O-C-N 124.731 1.27 . . . . 13.84 116.044 178.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . 0.408 HD12 ' NH2' ' A' ' 38' ' ' ARG . 5.2 tp -67.82 -35.07 71.09 Favored 'Isoleucine or valine' 0 C--O 1.272 2.266 0 N-CA-C 119.331 3.085 . . . . 18.84 119.331 -179.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' HA ' ' O ' ' A' ' 59' ' ' TRP . 56.8 m-85 -75.71 135.04 40.37 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-O 125.41 2.529 . . . . 19.4 111.291 -178.427 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.23 -17.07 25.57 Favored Glycine 0 CA--C 1.548 2.109 0 CA-C-O 114.073 -3.626 . . . . 22.34 108.729 -176.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' NH2' ' O ' ' A' ' 168' ' ' HOH . 19.1 ttp180 -97.14 151.25 19.98 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 121.169 2.484 . . . . 30.23 107.011 178.384 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 84.1 m-70 -87.79 146.12 25.78 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 126.635 2.459 . . . . 21.4 112.251 -178.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . 0.553 ' HB2' ' OD1' ' A' ' 52' ' ' ASN . 9.6 p -52.41 137.92 28.35 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 127.041 2.136 . . . . 13.84 111.029 176.804 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . 0.672 ' HA2' ' CZ ' ' A' ' 48' ' ' TYR . . . 82.34 18.83 65.75 Favored Glycine 0 C--O 1.294 3.905 0 N-CA-C 120.751 3.06 . . . . 15.89 120.751 178.772 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -107.76 -12.55 15.19 Favored 'General case' 0 C--O 1.27 2.181 0 CA-C-O 115.688 -2.101 . . . . 24.47 116.108 -175.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.65 135.59 56.74 Favored 'General case' 0 CA--C 1.56 1.34 0 N-CA-C 103.636 -2.727 . . . . 18.96 103.636 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 136.65 32.93 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 128.92 3.888 . . . . 33.43 110.454 -179.724 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.65 2.55 59.89 Favored Glycine 0 N--CA 1.427 -1.948 0 CA-C-N 111.281 -2.69 . . . . 18.92 109.816 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . 0.265 25.9 t80 -107.3 137.06 46.05 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 126.477 1.927 . . . . 19.09 112.09 179.094 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 t -93.56 95.41 9.21 Favored 'General case' 0 C--O 1.273 2.297 0 CA-C-N 109.397 -3.547 . . . . 16.95 113.131 178.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . 0.672 ' CZ ' ' HA2' ' A' ' 41' ' ' GLY . 17.9 m-85 -94.91 165.37 12.49 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 124.065 1.888 . . . . 17.65 110.78 -178.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . 0.445 ' OG1' ' HB3' ' A' ' 51' ' ' ALA . 71.1 p -74.38 168.54 19.48 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 105.052 -2.203 . . . . 17.6 105.052 177.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 45.2 m-20 -66.93 -30.72 70.94 Favored 'General case' 0 CA--C 1.557 1.247 0 O-C-N 128.543 3.652 . . . . 23.64 104.103 179.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . 0.445 ' HB3' ' OG1' ' A' ' 49' ' ' THR . . . -56.45 -53.97 51.21 Favored 'General case' 0 C--O 1.261 1.697 0 N-CA-C 118.875 2.917 . . . . 24.85 118.875 -178.918 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . 0.553 ' OD1' ' HB2' ' A' ' 40' ' ' SER . 17.3 t-20 -63.29 -43.97 96.36 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 124.386 1.054 . . . . 25.77 109.012 -179.368 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.0 mt -58.2 -55.58 21.35 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 1 O-C-N 129.239 4.087 . . . . 29.36 112.412 -178.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 50' ' ' ASP . 29.3 mmtp -60.29 -28.95 68.5 Favored 'General case' 0 C--O 1.254 1.295 0 N-CA-C 117.038 2.236 . . . . 38.51 117.038 -178.17 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.798 ' HB3' HG23 ' A' ' 57' ' ' VAL . 5.4 tmtt? -64.4 -31.44 72.65 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 124.274 1.988 . . . . 30.77 110.351 178.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.261 50.8 t30 47.57 40.24 11.18 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 112.656 -2.066 . . . . 40.12 109.348 -177.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . 0.798 HG23 ' HB3' ' A' ' 55' ' ' LYS . 46.1 t -59.91 140.65 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-N 113.492 -1.686 . . . . 29.51 108.521 179.297 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . 0.758 HD11 ' O ' ' A' ' 184' ' ' HOH . 0.5 OUTLIER -106.06 112.82 26.03 Favored 'General case' 0 N--CA 1.504 2.239 1 N-CA-C 98.325 -4.694 . . . . 33.52 98.325 177.01 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . 0.576 ' O ' ' HA ' ' A' ' 36' ' ' PHE . 93.8 m95 -78.76 112.01 15.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 117.684 2.476 . . . . 28.45 117.684 -175.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . 0.504 ' OD1' ' HB2' ' A' ' 62' ' ' ASN . 2.2 p30 -127.06 158.89 35.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 126.162 2.164 . . . . 26.89 106.163 177.019 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.462 ' OE2' HG21 ' A' ' -5' ' ' THR . 25.6 pt-20 -42.02 -40.98 2.4 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 127.491 2.994 . . . . 28.19 111.16 179.112 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . 0.62 HD21 ' HB ' ' A' ' -5' ' ' THR . 75.1 m-20 -71.63 -48.28 48.95 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.626 1.57 . . . . 30.68 113.864 -178.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -45.36 84.93 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 128.386 3.946 . . . . 24.79 110.42 -179.619 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 60.0 tpp -59.57 -35.82 75.02 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 108.612 -3.903 . . . . 20.07 111.629 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -68.17 -46.29 71.15 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 124.161 1.934 . . . . 14.74 112.013 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.61 -46.9 83.65 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-N 111.925 -2.398 . . . . 38.1 108.768 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . 0.62 ' CE1' HD12 ' A' ' 75' ' ' ILE . 59.9 t80 -56.26 -53.57 55.62 Favored 'General case' 0 C--O 1.269 2.104 0 CA-C-N 114.503 -1.226 . . . . 20.45 108.898 179.889 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.83 -17.78 10.57 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 115.462 1.652 . . . . 15.13 115.462 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 m -72.34 -41.04 66.93 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 125.137 1.523 . . . . 17.25 112.053 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . 0.55 ' HB3' ' O ' ' A' ' 207' ' ' HOH . 0.9 OUTLIER -165.68 88.48 0.93 Allowed Pre-proline 0 C--N 1.315 -0.898 0 C-N-CA 127.865 2.466 . . . . 24.26 108.295 -179.533 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 34.2 Cg_exo -53.68 -54.76 4.33 Favored 'Trans proline' 0 C--O 1.254 1.277 0 N-CA-C 109.283 -1.084 . . . . 13.81 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' M3L . . . . . 0.647 HM12 ' O ' ' A' ' 78' ' ' THR . . . . . . . . 0 N--CA 1.503 2.185 0 O-C-N 126.397 2.311 . . . . 20.93 116.108 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . 0.783 ' HB3' ' O ' ' A' ' 207' ' ' HOH . 27.7 tptt -72.86 -51.38 18.99 Favored 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 103.727 -2.694 . . . . 23.2 103.727 -178.834 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . 0.557 ' HD2' HG13 ' A' ' 75' ' ' ILE . 51.5 t80 -59.6 -39.06 82.94 Favored 'General case' 0 C--O 1.26 1.617 0 O-C-N 127.357 2.91 . . . . 27.75 117.037 -179.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . 0.656 HG12 ' HG3' ' A' ' 55' ' ' LYS . 20.9 mt -138.27 76.42 37.95 Favored Pre-proline 0 C--O 1.25 1.119 0 N-CA-C 106.168 -1.79 . . . . 21.77 106.168 178.936 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . 0.701 ' HG3' ' O ' ' A' ' 149' ' ' HOH . 19.3 Cg_endo -64.84 134.6 40.99 Favored 'Trans proline' 0 C--O 1.256 1.388 0 O-C-N 126.374 2.776 . . . . 20.81 108.637 -177.718 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 215' ' ' HOH . . . 99.48 -4.58 58.31 Favored Glycine 0 CA--C 1.553 2.414 0 O-C-N 128.509 3.63 . . . . 18.0 108.827 -178.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . 0.647 ' O ' HM12 ' A' ' 72' ' ' M3L . 7.5 t -68.7 146.06 53.3 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-O 114.218 -2.801 . . . . 11.88 106.432 177.2 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -97.06 8.23 44.96 Favored 'General case' 0 C--O 1.264 1.863 0 O-C-N 126.841 2.588 . . . . 10.52 111.958 -179.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.2 ttt -76.29 118.75 19.33 Favored 'General case' 0 N--CA 1.538 3.961 0 N-CA-C 101.655 -3.461 . . . . 8.89 101.655 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.18 57.89 3.16 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 127.497 2.998 . . . . 15.01 110.416 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' TYR . . . . . 0.59 ' OH ' ' HD3' ' A' ' 13' ' ' ARG . 39.2 t80 -121.08 134.2 55.25 Favored 'General case' 0 N--CA 1.511 2.604 0 C-N-CA 112.302 -3.759 . . . . 16.7 102.35 177.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.77 98.75 Favored Glycine 0 N--CA 1.437 -1.292 0 CA-C-N 120.98 1.718 . . . . 13.32 115.306 -178.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . 0.524 ' HA3' ' HZ2' ' A' ' 86' ' ' LYS . . . 133.46 161.85 9.9 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 108.668 -1.773 . . . . 14.88 108.668 179.111 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.76 87.28 2.45 Favored 'General case' 0 CA--C 1.564 1.511 1 C-N-CA 132.491 4.317 . . . . 14.54 105.055 179.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . 0.524 ' HZ2' ' HA3' ' A' ' 84' ' ' GLY . 9.6 mmtt -59.09 -36.53 75.27 Favored 'General case' 0 C--O 1.255 1.355 0 CA-C-N 110.564 -3.017 . . . . 26.29 111.182 -176.869 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . 0.619 ' HB2' ' O ' ' A' ' 158' ' ' HOH . 0.0 OUTLIER -86.54 114.2 23.08 Favored 'General case' 0 C--O 1.266 1.949 0 O-C-N 128.479 3.612 . . . . 28.02 117.299 -177.21 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -48.84 -46.76 42.62 Favored 'General case' 0 C--O 1.278 2.602 0 C-N-CA 127.093 2.157 . . . . 24.85 112.462 177.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -63.56 -37.98 89.37 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.766 -0.652 . . . . 20.67 109.244 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.57 -54.11 50.3 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 122.39 1.091 . . . . 19.55 110.052 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -57.67 -47.72 81.52 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.951 1.301 . . . . 15.62 112.518 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -50.68 -54.22 24.88 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 125.715 2.674 . . . . 12.34 108.327 179.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 2' ' ' SER . 78.9 m-20 -51.16 -54.66 23.26 Favored 'General case' 0 C--O 1.261 1.695 0 CA-C-N 109.227 -3.624 . . . . 10.01 108.428 179.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -56.37 -49.33 74.74 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-O 112.347 -3.692 . . . . 11.45 114.184 -177.524 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.9 mt -69.6 -28.94 39.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 1 O-C-N 129.806 4.441 . . . . 11.65 108.877 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . 0.4 HG21 ' O ' ' A' ' 1' ' ' GLY . 30.4 m -62.07 -47.96 82.32 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 104.701 -2.333 . . . . 19.05 104.701 175.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 81.3 t80 -56.63 -56.44 21.36 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-N 112.604 -2.089 . . . . 18.97 110.469 -179.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' LYS . 6.5 mt -58.62 -54.07 51.21 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-N 113.624 -1.625 . . . . 20.64 110.86 -178.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HE2' ' HG2' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -32.52 -56.19 0.35 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 125.962 2.039 . . . . 34.24 107.933 179.396 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . 0.482 ' HG2' ' HE2' ' A' ' 99' ' ' LYS . 44.5 mmtt -74.11 -42.35 60.19 Favored 'General case' 0 C--O 1.283 2.842 0 N-CA-C 120.055 3.354 . . . . 33.28 120.055 -176.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.45 36.22 Favored 'General case' 0 C--O 1.277 2.523 0 N-CA-C 118.198 2.666 . . . . 17.92 118.198 -176.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.9 p -88.02 2.76 51.06 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.27 -1.011 . . . . 24.57 108.27 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 C--O 1.278 2.567 0 N-CA-C 117.861 2.541 . . . . 32.71 117.861 -178.905 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HEM . . . . . 0.423 HMC1 ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' 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 ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' 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 ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' 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 ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . 0.701 ' O ' ' HG3' ' A' ' 76' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . 0.619 ' O ' ' HB2' ' A' ' 87' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . 0.465 ' O ' ' NH2' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 184' ' ' HOH . . . . . 0.758 ' O ' HD11 ' A' ' 58' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 196' ' ' HOH . . . . . 0.612 ' O ' ' HA2' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 197' ' ' HOH . . . . . 0.523 ' O ' ' HD2' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . 0.783 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . 0.447 ' O ' ' N ' ' A' ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . 0.433 ' O ' ' NH1' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . 0.415 ' O ' ' HB2' ' A' ' -1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' THR . . . . . 0.62 ' HB ' HD21 ' A' ' 62' ' ' ASN . 32.0 p . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 124.744 2.211 . . . . 53.3 107.207 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . 0.301 25.3 tt0 -156.98 29.62 0.31 Allowed 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 131.294 3.838 . . . . 56.21 104.501 176.279 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -148.26 141.61 25.23 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 110.189 -3.187 . . . . 45.32 111.675 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.74 149.86 52.19 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.94 -0.763 . . . . 48.3 108.94 177.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 244' ' ' HOH . . . -69.25 140.57 54.48 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 126.511 2.382 . . . . 34.87 112.261 -179.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' HG21 ' A' ' 96' ' ' THR . . . -122.54 -158.36 10.23 Favored Glycine 0 C--O 1.244 0.781 0 CA-C-N 112.159 -2.292 . . . . 29.08 110.05 -178.843 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . 0.431 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 3.8 t -83.03 119.28 24.27 Favored 'General case' 0 C--O 1.278 2.587 0 CA-C-O 116.607 -1.663 . . . . 21.3 110.666 179.215 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.48 -24.41 61.18 Favored 'General case' 0 N--CA 1.509 2.524 0 C-N-CA 114.23 -2.988 . . . . 17.52 109.133 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -66.54 -46.51 75.9 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-O 125.556 2.598 . . . . 29.19 111.446 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' O ' HD13 ' A' ' 9' ' ' LEU . 1.3 tptm -61.79 -47.33 85.65 Favored 'General case' 0 C--O 1.269 2.124 0 CA-C-N 112.054 -2.339 . . . . 17.3 109.234 -179.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.49 95.28 Favored Glycine 0 C--O 1.271 2.464 0 CA-C-N 112.403 -2.18 . . . . 11.31 108.024 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 11' ' ' LYS . . . -61.2 -30.57 70.5 Favored 'General case' 0 C--O 1.264 1.819 0 CA-C-O 116.441 -1.742 . . . . 14.05 112.727 -179.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.3 p -88.85 -18.41 27.68 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 125.785 1.928 . . . . 14.95 108.292 179.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.529 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 4.5 mp -71.73 -39.27 70.2 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 127.715 3.626 . . . . 16.29 107.382 -179.891 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CD2' ' HB2' ' A' ' 14' ' ' CYS . 44.3 t80 -63.64 -58.85 5.63 Favored 'General case' 0 C--O 1.3 3.716 0 CA-C-N 109.692 -3.413 . . . . 8.12 109.634 -178.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 27.7 mttt -49.35 -53.05 24.29 Favored 'General case' 0 N--CA 1.518 2.941 0 C-N-CA 114.791 -2.764 . . . . 16.65 108.161 179.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.274 44.8 p -64.76 -28.82 69.84 Favored 'General case' 0 C--O 1.253 1.249 1 CA-C-O 111.016 -4.325 . . . . 13.67 113.98 -178.827 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.59 ' HD3' ' OH ' ' A' ' 82' ' ' TYR 0.261 63.3 mtt180 -117.25 -28.1 6.26 Favored 'General case' 0 C--O 1.29 3.189 1 N-CA-C 123.605 4.668 . . . . 25.6 123.605 -174.127 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.502 ' HB2' ' CD2' ' A' ' 10' ' ' PHE . 47.3 m -109.61 -42.31 4.34 Favored 'General case' 0 C--O 1.28 2.665 0 N-CA-C 113.283 0.846 . . . . 9.13 113.283 -178.56 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 21.3 tp -40.43 -41.87 1.49 Allowed 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 130.969 3.708 . . . . 15.16 116.803 -176.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -52.52 -25.65 10.91 Favored 'General case' 0 C--O 1.278 2.575 0 C-N-CA 128.993 2.917 . . . . 12.38 107.579 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -133.58 5.41 3.7 Favored 'General case' 0 C--O 1.276 2.451 1 O-C-N 130.672 4.983 . . . . 6.45 112.841 177.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.687 ' HE1' ' HD2' ' A' ' 30' ' ' PRO . 93.1 m-70 -146.67 158.2 43.86 Favored 'General case' 0 C--O 1.257 1.461 1 CA-C-O 129.395 4.426 . . . . 7.59 120.339 -177.016 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . 0.585 ' OG1' ' HB2' ' A' ' 31' ' ' ASN . 72.7 p -121.24 145.16 48.14 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 109.642 -3.435 . . . . 7.81 108.251 178.911 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.307 15.8 m -111.94 -12.19 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.757 0 C-N-CA 114.01 -3.076 . . . . 9.98 112.571 179.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.686 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 8.8 pm0 -73.19 141.1 47.37 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 121.146 3.758 . . . . 33.09 121.146 -178.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -69.92 117.98 12.19 Favored 'General case' 0 N--CA 1.519 2.976 0 C-N-CA 115.296 -2.562 . . . . 21.04 106.143 178.985 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.21 8.53 55.04 Favored Glycine 0 N--CA 1.481 1.691 0 CA-C-O 123.702 1.723 . . . . 12.83 111.961 -178.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.686 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -83.21 150.4 27.35 Favored Glycine 0 CA--C 1.551 2.3 1 N-CA-C 102.024 -4.43 . . . . 12.6 102.024 178.822 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -83.07 151.84 14.12 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 O-C-N 126.631 2.911 . . . . 11.03 118.492 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -68.56 162.44 25.79 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 102.179 -3.267 . . . . 9.5 102.179 172.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HB3' ' H ' ' A' ' 28' ' ' VAL 0.284 3.9 mtmt -143.19 -135.94 0.1 Allowed 'General case' 0 C--O 1.284 2.899 0 N-CA-C 105.982 -1.859 . . . . 10.32 105.982 -179.724 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.412 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 4.0 t -58.91 -44.94 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 N-CA-C 103.731 -2.692 . . . . 6.53 103.731 174.65 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.78 165.94 15.6 Favored Glycine 1 N--CA 1.518 4.11 2 O-C-N 129.523 4.264 . . . . 5.3 104.72 -179.956 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.687 ' HD2' ' HE1' ' A' ' 18' ' ' HIS . 73.3 Cg_endo -73.12 155.95 51.9 Favored 'Trans proline' 0 C--O 1.271 2.146 1 O-C-N 131.594 5.523 . . . . 5.09 111.824 179.738 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.585 ' HB2' ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -69.18 153.94 42.87 Favored 'General case' 0 N--CA 1.521 3.101 0 N-CA-C 101.215 -3.624 . . . . 12.33 101.215 179.137 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -107.98 6.04 26.77 Favored 'General case' 0 C--O 1.28 2.685 0 O-C-N 128.051 3.344 . . . . 8.02 112.123 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -52.88 136.05 35.02 Favored 'General case' 0 N--CA 1.537 3.887 0 C-N-CA 114.284 -2.966 . . . . 20.18 108.74 -176.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.612 ' HA2' ' O ' ' A' ' 196' ' ' HOH . . . 68.81 29.85 72.59 Favored Glycine 0 C--O 1.272 2.504 0 O-C-N 124.731 1.27 . . . . 13.84 116.044 178.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.408 HD12 ' NH2' ' A' ' 38' ' ' ARG . 5.2 tp -67.82 -35.07 71.09 Favored 'Isoleucine or valine' 0 C--O 1.272 2.266 0 N-CA-C 119.331 3.085 . . . . 18.84 119.331 -179.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' HA ' ' O ' ' A' ' 59' ' ' TRP . 56.8 m-85 -75.71 135.04 40.37 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-O 125.41 2.529 . . . . 19.4 111.291 -178.427 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.23 -17.07 25.57 Favored Glycine 0 CA--C 1.548 2.109 0 CA-C-O 114.073 -3.626 . . . . 22.34 108.729 -176.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' NH2' ' O ' ' A' ' 168' ' ' HOH . 19.1 ttp180 -97.14 151.25 19.98 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 121.169 2.484 . . . . 30.23 107.011 178.384 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 70.4 m80 -87.79 146.12 25.78 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 126.635 2.459 . . . . 21.4 112.251 -178.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . 0.553 ' HB2' ' OD1' ' A' ' 52' ' ' ASN . 9.6 p -52.41 137.92 28.35 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 127.041 2.136 . . . . 13.84 111.029 176.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.672 ' HA2' ' CZ ' ' A' ' 48' ' ' TYR . . . 82.34 18.83 65.75 Favored Glycine 0 C--O 1.294 3.905 0 N-CA-C 120.751 3.06 . . . . 15.89 120.751 178.772 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -107.76 -12.55 15.19 Favored 'General case' 0 C--O 1.27 2.181 0 CA-C-O 115.688 -2.101 . . . . 24.47 116.108 -175.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.65 135.59 56.74 Favored 'General case' 0 CA--C 1.56 1.34 0 N-CA-C 103.636 -2.727 . . . . 18.96 103.636 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 136.65 32.93 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 128.92 3.888 . . . . 33.43 110.454 -179.724 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.65 2.55 59.89 Favored Glycine 0 N--CA 1.427 -1.948 0 CA-C-N 111.281 -2.69 . . . . 18.92 109.816 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . 0.265 25.9 t80 -107.3 137.06 46.05 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 126.477 1.927 . . . . 19.09 112.09 179.094 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 t -93.56 95.41 9.21 Favored 'General case' 0 C--O 1.273 2.297 0 CA-C-N 109.397 -3.547 . . . . 16.95 113.131 178.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.672 ' CZ ' ' HA2' ' A' ' 41' ' ' GLY . 17.9 m-85 -94.91 165.37 12.49 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 124.065 1.888 . . . . 17.65 110.78 -178.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . 0.445 ' OG1' ' HB3' ' A' ' 51' ' ' ALA . 71.1 p -74.38 168.54 19.48 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 105.052 -2.203 . . . . 17.6 105.052 177.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 45.2 m-20 -66.93 -30.72 70.94 Favored 'General case' 0 CA--C 1.557 1.247 0 O-C-N 128.543 3.652 . . . . 23.64 104.103 179.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.445 ' HB3' ' OG1' ' A' ' 49' ' ' THR . . . -56.45 -53.97 51.21 Favored 'General case' 0 C--O 1.261 1.697 0 N-CA-C 118.875 2.917 . . . . 24.85 118.875 -178.918 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.553 ' OD1' ' HB2' ' A' ' 40' ' ' SER . 17.3 t-20 -63.29 -43.97 96.36 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 124.386 1.054 . . . . 25.77 109.012 -179.368 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.0 mt -58.2 -55.58 21.35 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 1 O-C-N 129.239 4.087 . . . . 29.36 112.412 -178.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 50' ' ' ASP . 29.3 mmtp -60.29 -28.95 68.5 Favored 'General case' 0 C--O 1.254 1.295 0 N-CA-C 117.038 2.236 . . . . 38.51 117.038 -178.17 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.798 ' HB3' HG23 ' A' ' 57' ' ' VAL . 5.4 tmtt? -64.4 -31.44 72.65 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 124.274 1.988 . . . . 30.77 110.351 178.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 39' ' ' HIS 0.261 1.2 t-20 47.57 40.24 11.18 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 112.656 -2.066 . . . . 40.12 109.348 -177.386 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.798 HG23 ' HB3' ' A' ' 55' ' ' LYS . 46.1 t -59.91 140.65 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-N 113.492 -1.686 . . . . 29.51 108.521 179.297 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.758 HD11 ' O ' ' A' ' 184' ' ' HOH . 0.5 OUTLIER -106.06 112.82 26.03 Favored 'General case' 0 N--CA 1.504 2.239 1 N-CA-C 98.325 -4.694 . . . . 33.52 98.325 177.01 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.576 ' O ' ' HA ' ' A' ' 36' ' ' PHE . 93.8 m95 -78.76 112.01 15.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 117.684 2.476 . . . . 28.45 117.684 -175.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.504 ' OD1' ' HB2' ' A' ' 62' ' ' ASN . 2.2 p30 -127.06 158.89 35.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 126.162 2.164 . . . . 26.89 106.163 177.019 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.462 ' OE2' HG21 ' A' ' -5' ' ' THR . 25.6 pt-20 -42.02 -40.98 2.4 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 127.491 2.994 . . . . 28.19 111.16 179.112 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.62 HD21 ' HB ' ' A' ' -5' ' ' THR . 75.1 m-20 -71.63 -48.28 48.95 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.626 1.57 . . . . 30.68 113.864 -178.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -45.36 84.93 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 128.386 3.946 . . . . 24.79 110.42 -179.619 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 60.0 tpp -59.57 -35.82 75.02 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 108.612 -3.903 . . . . 20.07 111.629 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -68.17 -46.29 71.15 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 124.161 1.934 . . . . 14.74 112.013 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.61 -46.9 83.65 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-N 111.925 -2.398 . . . . 38.1 108.768 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.62 ' CE1' HD12 ' A' ' 75' ' ' ILE . 59.9 t80 -56.26 -53.57 55.62 Favored 'General case' 0 C--O 1.269 2.104 0 CA-C-N 114.503 -1.226 . . . . 20.45 108.898 179.889 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.83 -17.78 10.57 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 115.462 1.652 . . . . 15.13 115.462 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 m -72.34 -41.04 66.93 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 125.137 1.523 . . . . 17.25 112.053 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.55 ' HB3' ' O ' ' A' ' 207' ' ' HOH . 0.9 OUTLIER -165.68 88.48 0.93 Allowed Pre-proline 0 C--N 1.315 -0.898 0 C-N-CA 127.865 2.466 . . . . 24.26 108.295 -179.533 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 34.2 Cg_exo -53.68 -54.76 4.33 Favored 'Trans proline' 0 C--O 1.254 1.277 0 N-CA-C 109.283 -1.084 . . . . 13.81 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.647 HM12 ' O ' ' A' ' 78' ' ' THR . . . . . . . . 0 N--CA 1.503 2.185 0 O-C-N 126.397 2.311 . . . . 20.93 116.108 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.783 ' HB3' ' O ' ' A' ' 207' ' ' HOH . 27.7 tptt -72.86 -51.38 18.99 Favored 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 103.727 -2.694 . . . . 23.2 103.727 -178.834 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.557 ' HD2' HG13 ' A' ' 75' ' ' ILE . 51.5 t80 -59.6 -39.06 82.94 Favored 'General case' 0 C--O 1.26 1.617 0 O-C-N 127.357 2.91 . . . . 27.75 117.037 -179.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.656 HG12 ' HG3' ' A' ' 55' ' ' LYS . 20.9 mt -138.27 76.42 37.95 Favored Pre-proline 0 C--O 1.25 1.119 0 N-CA-C 106.168 -1.79 . . . . 21.77 106.168 178.936 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.701 ' HG3' ' O ' ' A' ' 149' ' ' HOH . 19.3 Cg_endo -64.84 134.6 40.99 Favored 'Trans proline' 0 C--O 1.256 1.388 0 O-C-N 126.374 2.776 . . . . 20.81 108.637 -177.718 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 215' ' ' HOH . . . 99.48 -4.58 58.31 Favored Glycine 0 CA--C 1.553 2.414 0 O-C-N 128.509 3.63 . . . . 18.0 108.827 -178.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . 0.647 ' O ' HM12 ' A' ' 72' ' ' M3L . 7.5 t -68.7 146.06 53.3 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-O 114.218 -2.801 . . . . 11.88 106.432 177.2 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -97.06 8.23 44.96 Favored 'General case' 0 C--O 1.264 1.863 0 O-C-N 126.841 2.588 . . . . 10.52 111.958 -179.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.2 ttt -76.29 118.75 19.33 Favored 'General case' 0 N--CA 1.538 3.961 0 N-CA-C 101.655 -3.461 . . . . 8.89 101.655 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.18 57.89 3.16 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 127.497 2.998 . . . . 15.01 110.416 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.59 ' OH ' ' HD3' ' A' ' 13' ' ' ARG . 39.2 t80 -121.08 134.2 55.25 Favored 'General case' 0 N--CA 1.511 2.604 0 C-N-CA 112.302 -3.759 . . . . 16.7 102.35 177.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.77 98.75 Favored Glycine 0 N--CA 1.437 -1.292 0 CA-C-N 120.98 1.718 . . . . 13.32 115.306 -178.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.524 ' HA3' ' HZ2' ' A' ' 86' ' ' LYS . . . 133.46 161.85 9.9 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 108.668 -1.773 . . . . 14.88 108.668 179.111 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.76 87.28 2.45 Favored 'General case' 0 CA--C 1.564 1.511 1 C-N-CA 132.491 4.317 . . . . 14.54 105.055 179.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.524 ' HZ2' ' HA3' ' A' ' 84' ' ' GLY . 9.6 mmtt -59.09 -36.53 75.27 Favored 'General case' 0 C--O 1.255 1.355 0 CA-C-N 110.564 -3.017 . . . . 26.29 111.182 -176.869 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.619 ' HB2' ' O ' ' A' ' 158' ' ' HOH . 0.0 OUTLIER -86.54 114.2 23.08 Favored 'General case' 0 C--O 1.266 1.949 0 O-C-N 128.479 3.612 . . . . 28.02 117.299 -177.21 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -48.84 -46.76 42.62 Favored 'General case' 0 C--O 1.278 2.602 0 C-N-CA 127.093 2.157 . . . . 24.85 112.462 177.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -63.56 -37.98 89.37 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.766 -0.652 . . . . 20.67 109.244 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.57 -54.11 50.3 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 122.39 1.091 . . . . 19.55 110.052 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -57.67 -47.72 81.52 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.951 1.301 . . . . 15.62 112.518 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -50.68 -54.22 24.88 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 125.715 2.674 . . . . 12.34 108.327 179.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 2' ' ' SER . 78.9 m-20 -51.16 -54.66 23.26 Favored 'General case' 0 C--O 1.261 1.695 0 CA-C-N 109.227 -3.624 . . . . 10.01 108.428 179.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -56.37 -49.33 74.74 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-O 112.347 -3.692 . . . . 11.45 114.184 -177.524 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.9 mt -69.6 -28.94 39.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 1 O-C-N 129.806 4.441 . . . . 11.65 108.877 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . 0.4 HG21 ' O ' ' A' ' 1' ' ' GLY . 30.4 m -62.07 -47.96 82.32 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 104.701 -2.333 . . . . 19.05 104.701 175.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 81.3 t80 -56.63 -56.44 21.36 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-N 112.604 -2.089 . . . . 18.97 110.469 -179.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' LYS . 6.5 mt -58.62 -54.07 51.21 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-N 113.624 -1.625 . . . . 20.64 110.86 -178.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HE2' ' HG2' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -32.52 -56.19 0.35 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 125.962 2.039 . . . . 34.24 107.933 179.396 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.482 ' HG2' ' HE2' ' A' ' 99' ' ' LYS . 44.5 mmtt -74.11 -42.35 60.19 Favored 'General case' 0 C--O 1.283 2.842 0 N-CA-C 120.055 3.354 . . . . 33.28 120.055 -176.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.45 36.22 Favored 'General case' 0 C--O 1.277 2.523 0 N-CA-C 118.198 2.666 . . . . 17.92 118.198 -176.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.9 p -88.02 2.76 51.06 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.27 -1.011 . . . . 24.57 108.27 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 C--O 1.278 2.567 0 N-CA-C 117.861 2.541 . . . . 32.71 117.861 -178.905 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HEM . . . . . 0.423 HMC1 ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' 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 ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' 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 ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' 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 ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . 0.701 ' O ' ' HG3' ' A' ' 76' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . 0.619 ' O ' ' HB2' ' A' ' 87' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . 0.465 ' O ' ' NH2' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' HOH . . . . . 0.758 ' O ' HD11 ' A' ' 58' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' HOH . . . . . 0.612 ' O ' ' HA2' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' HOH . . . . . 0.429 ' O ' ' HB2' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . 0.783 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . 0.447 ' O ' ' N ' ' A' ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . 0.433 ' O ' ' NH1' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . 0.415 ' O ' ' HB2' ' A' ' -1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_