data_nef_c25653_2n3p save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N3P stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 3 CYS SG 1 16 CYS SG 1 10 CYS SG 1 21 CYS SG 1 15 CYS SG 1 30 CYS SG 1 1 PCA C 1 2 TRP N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 PCA start -OXT . 2 A 2 TRP middle -H2 . 3 A 3 CYS middle -HG . 4 A 4 ALA middle . . 5 A 5 GLU middle . . 6 A 6 GLU middle . . 7 A 7 GLY middle . false 8 A 8 GLU middle . . 9 A 9 SER middle . . 10 A 10 CYS middle -HG . 11 A 11 GLU middle . . 12 A 12 VAL middle . . 13 A 13 TYR middle . . 14 A 14 PRO middle . false 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 ASP middle . . 18 A 18 GLY middle . false 19 A 19 LEU middle . . 20 A 20 ILE middle . . 21 A 21 CYS middle -HG . 22 A 22 TYR middle . . 23 A 23 PRO middle . false 24 A 24 THR middle . . 25 A 25 PHE middle . . 26 A 26 PRO middle . true 27 A 27 GLU middle . . 28 A 28 PRO middle . false 29 A 29 ILE middle . . 30 A 30 CYS middle -HG . 31 A 31 GLY middle . false 32 A 32 VAL end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 PCA HA H 1 3.934 0.001 A 1 PCA HBy H 1 2.181 0.000 A 1 PCA HBx H 1 1.727 0.000 A 1 PCA HGx H 1 2.008 0.001 A 1 PCA HGy H 1 2.010 0.000 A 1 PCA CA C 13 57.679 0.001 A 1 PCA CB C 13 27.721 0.003 A 1 PCA CG C 13 32.176 0.001 A 2 TRP H H 1 8.076 0.001 A 2 TRP HA H 1 4.604 0.000 A 2 TRP HBx H 1 2.901 0.001 A 2 TRP HBy H 1 3.001 0.001 A 2 TRP HD1 H 1 7.075 0.001 A 2 TRP HE1 H 1 10.698 0.001 A 2 TRP HE3 H 1 7.605 0.001 A 2 TRP HH2 H 1 7.060 0.003 A 2 TRP HZ2 H 1 7.323 0.002 A 2 TRP HZ3 H 1 6.984 0.000 A 2 TRP CA C 13 53.837 0.000 A 2 TRP CB C 13 29.261 0.000 A 2 TRP CD1 C 13 125.946 0.000 A 2 TRP CE3 C 13 120.836 0.000 A 2 TRP CH2 C 13 123.091 0.000 A 2 TRP CZ2 C 13 113.476 0.000 A 2 TRP CZ3 C 13 120.538 0.000 A 3 CYS H H 1 7.762 0.001 A 3 CYS HA H 1 4.989 0.001 A 3 CYS HBy H 1 3.099 0.001 A 3 CYS HBx H 1 2.830 0.001 A 3 CYS CA C 13 52.524 0.000 A 3 CYS CB C 13 43.609 0.000 A 4 ALA H H 1 9.027 0.001 A 4 ALA HA H 1 4.326 0.000 A 4 ALA HB% H 1 1.215 0.000 A 4 ALA CA C 13 50.194 0.000 A 4 ALA CB C 13 20.591 0.000 A 5 GLU H H 1 7.583 0.001 A 5 GLU HA H 1 4.026 0.001 A 5 GLU HBx H 1 1.604 0.001 A 5 GLU HBy H 1 2.195 0.001 A 5 GLU HGx H 1 2.115 0.001 A 5 GLU HGy H 1 2.390 0.001 A 5 GLU CA C 13 53.176 0.000 A 5 GLU CB C 13 29.310 0.001 A 5 GLU CG C 13 33.185 0.000 A 6 GLU H H 1 8.031 0.001 A 6 GLU HA H 1 3.540 0.001 A 6 GLU HBy H 1 1.860 0.001 A 6 GLU HBx H 1 1.859 0.000 A 6 GLU HGx H 1 2.244 0.001 A 6 GLU HGy H 1 2.329 0.001 A 6 GLU CA C 13 56.986 0.000 A 6 GLU CB C 13 28.177 0.000 A 6 GLU CG C 13 32.469 0.003 A 7 GLY H H 1 8.854 0.000 A 7 GLY HAx H 1 3.246 0.001 A 7 GLY HAy H 1 4.085 0.000 A 7 GLY CA C 13 44.986 0.000 A 8 GLU H H 1 7.819 0.001 A 8 GLU HA H 1 4.465 0.001 A 8 GLU HBx H 1 2.053 0.000 A 8 GLU HBy H 1 2.118 0.000 A 8 GLU HGx H 1 2.290 0.000 A 8 GLU HGy H 1 2.290 0.001 A 8 GLU CA C 13 52.956 0.000 A 8 GLU CB C 13 29.773 0.001 A 8 GLU CG C 13 33.347 0.000 A 9 SER H H 1 8.284 0.000 A 9 SER HA H 1 5.080 0.000 A 9 SER HBx H 1 3.701 0.001 A 9 SER HBy H 1 3.807 0.000 A 9 SER CA C 13 56.778 0.000 A 9 SER CB C 13 64.205 0.000 A 10 CYS H H 1 7.377 0.000 A 10 CYS HA H 1 5.468 0.001 A 10 CYS HBy H 1 3.482 0.000 A 10 CYS HBx H 1 3.302 0.000 A 10 CYS CA C 13 53.695 0.000 A 10 CYS CB C 13 45.676 0.000 A 11 GLU H H 1 7.544 0.001 A 11 GLU HA H 1 3.903 0.000 A 11 GLU HBx H 1 1.779 0.001 A 11 GLU HBy H 1 1.928 0.001 A 11 GLU HGy H 1 2.294 0.001 A 11 GLU HGx H 1 2.293 0.000 A 11 GLU CA C 13 57.575 0.000 A 11 GLU CB C 13 28.668 0.000 A 11 GLU CG C 13 32.274 0.000 A 12 VAL H H 1 7.536 0.001 A 12 VAL HA H 1 3.893 0.001 A 12 VAL HB H 1 1.867 0.001 A 12 VAL HGx% H 1 0.690 0.001 A 12 VAL HGy% H 1 0.569 0.000 A 12 VAL CA C 13 61.433 0.000 A 12 VAL CB C 13 32.771 0.000 A 12 VAL CGx C 13 20.839 0.000 A 12 VAL CGy C 13 21.577 0.000 A 13 TYR H H 1 7.213 0.001 A 13 TYR HA H 1 4.603 0.001 A 13 TYR HBx H 1 2.515 0.001 A 13 TYR HBy H 1 2.850 0.000 A 13 TYR HDx H 1 7.021 0.001 A 13 TYR HDy H 1 7.022 0.000 A 13 TYR HEx H 1 6.594 0.000 A 13 TYR HEy H 1 6.594 0.000 A 13 TYR CA C 13 55.557 0.000 A 13 TYR CB C 13 38.917 0.002 A 13 TYR CDx C 13 132.139 0.000 A 13 TYR CDy C 13 132.139 0.000 A 13 TYR CEy C 13 117.181 0.000 A 13 TYR CEx C 13 117.176 0.000 A 14 PRO HA H 1 4.541 0.001 A 14 PRO HBy H 1 2.146 0.001 A 14 PRO HBx H 1 2.143 0.003 A 14 PRO HDx H 1 3.624 0.001 A 14 PRO HDy H 1 3.892 0.000 A 14 PRO HGx H 1 1.992 0.000 A 14 PRO HGy H 1 1.992 0.000 A 14 PRO CA C 13 60.415 0.000 A 14 PRO CB C 13 31.595 0.000 A 14 PRO CD C 13 48.807 0.001 A 14 PRO CG C 13 26.312 0.000 A 15 CYS H H 1 8.986 0.000 A 15 CYS HA H 1 4.925 0.001 A 15 CYS HBy H 1 2.938 0.001 A 15 CYS HBx H 1 2.377 0.001 A 15 CYS CA C 13 54.229 0.000 A 15 CYS CB C 13 39.173 0.000 A 16 CYS H H 1 9.018 0.000 A 16 CYS HA H 1 4.423 0.000 A 16 CYS HBy H 1 3.096 0.001 A 16 CYS HBx H 1 2.254 0.001 A 16 CYS CA C 13 52.994 0.000 A 16 CYS CB C 13 40.662 0.001 A 17 ASP H H 1 9.414 0.001 A 17 ASP HA H 1 4.218 0.001 A 17 ASP HBx H 1 2.362 0.001 A 17 ASP HBy H 1 3.039 0.000 A 17 ASP CA C 13 51.378 0.000 A 17 ASP CB C 13 37.397 0.000 A 18 GLY HAx H 1 3.791 0.000 A 18 GLY HAy H 1 4.089 0.000 A 18 GLY CA C 13 43.836 0.000 A 19 LEU H H 1 6.878 0.001 A 19 LEU HA H 1 4.130 0.001 A 19 LEU HBx H 1 1.387 0.001 A 19 LEU HBy H 1 1.856 0.001 A 19 LEU HDx% H 1 0.838 0.001 A 19 LEU HDy% H 1 0.653 0.001 A 19 LEU HG H 1 1.525 0.000 A 19 LEU CA C 13 53.875 0.000 A 19 LEU CB C 13 41.530 0.000 A 19 LEU CDy C 13 25.648 0.000 A 19 LEU CDx C 13 22.505 0.000 A 19 LEU CG C 13 26.584 0.000 A 20 ILE H H 1 8.102 0.001 A 20 ILE HA H 1 4.015 0.001 A 20 ILE HB H 1 1.415 0.001 A 20 ILE HD1% H 1 0.741 0.001 A 20 ILE HG1y H 1 0.908 0.001 A 20 ILE HG1x H 1 0.906 0.000 A 20 ILE HG2% H 1 0.239 0.001 A 20 ILE CA C 13 57.950 0.000 A 20 ILE CB C 13 40.182 0.000 A 20 ILE CD1 C 13 17.439 0.000 A 20 ILE CG1 C 13 27.125 0.000 A 20 ILE CG2 C 13 16.666 0.000 A 21 CYS H H 1 8.516 0.001 A 21 CYS HA H 1 4.735 0.000 A 21 CYS HBy H 1 3.242 0.000 A 21 CYS HBx H 1 2.763 0.000 A 21 CYS CA C 13 53.258 0.000 A 21 CYS CB C 13 38.612 0.001 A 22 TYR H H 1 8.859 0.001 A 22 TYR HA H 1 4.404 0.002 A 22 TYR HBx H 1 2.750 0.001 A 22 TYR HBy H 1 3.008 0.001 A 22 TYR HDy H 1 7.072 0.001 A 22 TYR HDx H 1 7.071 0.001 A 22 TYR HEx H 1 6.613 0.000 A 22 TYR HEy H 1 6.613 0.001 A 22 TYR CA C 13 56.386 0.000 A 22 TYR CB C 13 39.225 0.001 A 22 TYR CDy C 13 132.273 0.000 A 22 TYR CDx C 13 132.266 0.000 A 22 TYR CEx C 13 117.231 0.000 A 22 TYR CEy C 13 117.231 0.000 A 23 PRO HA H 1 4.510 0.001 A 23 PRO HBy H 1 2.324 0.001 A 23 PRO HBx H 1 1.720 0.001 A 23 PRO HDx H 1 3.521 0.001 A 23 PRO HDy H 1 3.713 0.001 A 23 PRO HGx H 1 1.863 0.001 A 23 PRO HGy H 1 1.989 0.001 A 23 PRO CA C 13 61.466 0.000 A 23 PRO CB C 13 27.705 0.002 A 23 PRO CD C 13 49.513 0.001 A 23 PRO CG C 13 26.999 0.001 A 24 THR H H 1 7.959 0.001 A 24 THR HA H 1 4.994 0.001 A 24 THR HB H 1 4.128 0.001 A 24 THR HG2% H 1 1.073 0.001 A 24 THR CA C 13 60.198 0.000 A 24 THR CB C 13 68.850 0.000 A 24 THR CG2 C 13 22.387 0.000 A 25 PHE H H 1 8.297 0.001 A 25 PHE HA H 1 4.594 0.001 A 25 PHE HBx H 1 2.756 0.000 A 25 PHE HBy H 1 2.871 0.000 A 25 PHE HDx H 1 7.199 0.000 A 25 PHE HDy H 1 7.199 0.000 A 25 PHE HEx H 1 7.311 0.000 A 25 PHE HEy H 1 7.311 0.000 A 25 PHE HZ H 1 7.264 0.000 A 25 PHE CA C 13 53.270 0.000 A 25 PHE CB C 13 41.647 0.001 A 25 PHE CDx C 13 131.533 0.000 A 25 PHE CDy C 13 131.533 0.000 A 25 PHE CEx C 13 130.728 0.000 A 25 PHE CEy C 13 130.730 0.000 A 25 PHE CZ C 13 129.103 0.000 A 26 PRO HA H 1 3.626 0.001 A 26 PRO HBy H 1 1.777 0.000 A 26 PRO HBx H 1 1.560 0.000 A 26 PRO HDx H 1 3.289 0.000 A 26 PRO HDy H 1 3.289 0.000 A 26 PRO HGx H 1 1.638 0.001 A 26 PRO HGy H 1 1.639 0.000 A 26 PRO CA C 13 62.856 0.000 A 26 PRO CB C 13 33.648 0.000 A 26 PRO CD C 13 48.809 0.000 A 26 PRO CG C 13 24.162 0.000 A 27 GLU H H 1 7.227 0.001 A 27 GLU HA H 1 4.744 0.001 A 27 GLU HBx H 1 1.733 0.000 A 27 GLU HBy H 1 1.955 0.001 A 27 GLU HGx H 1 2.165 0.000 A 27 GLU HGy H 1 2.165 0.000 A 27 GLU CA C 13 51.119 0.000 A 27 GLU CB C 13 28.919 0.000 A 27 GLU CG C 13 31.676 0.000 A 28 PRO HA H 1 4.897 0.001 A 28 PRO HBy H 1 2.120 0.000 A 28 PRO HBx H 1 1.997 0.002 A 28 PRO HDx H 1 3.617 0.000 A 28 PRO HDy H 1 3.660 0.001 A 28 PRO HGx H 1 1.778 0.000 A 28 PRO HGy H 1 1.897 0.001 A 28 PRO CA C 13 62.335 0.000 A 28 PRO CB C 13 32.209 0.001 A 28 PRO CD C 13 49.948 0.001 A 28 PRO CG C 13 26.117 0.000 A 29 ILE H H 1 7.717 0.001 A 29 ILE HA H 1 4.901 0.002 A 29 ILE HB H 1 1.507 0.001 A 29 ILE HD1% H 1 0.674 0.001 A 29 ILE HG1x H 1 1.321 0.000 A 29 ILE HG1y H 1 1.321 0.000 A 29 ILE HG2% H 1 0.736 0.001 A 29 ILE CA C 13 57.862 0.000 A 29 ILE CB C 13 42.462 0.000 A 29 ILE CD1 C 13 13.117 0.000 A 29 ILE CG1 C 13 25.262 0.000 A 29 ILE CG2 C 13 13.353 0.000 A 30 CYS H H 1 8.439 0.001 A 30 CYS HA H 1 5.485 0.000 A 30 CYS HBy H 1 3.128 0.000 A 30 CYS HBx H 1 2.551 0.001 A 30 CYS CA C 13 54.566 0.000 A 30 CYS CB C 13 40.404 0.001 A 31 GLY H H 1 9.902 0.001 A 31 GLY HAx H 1 3.940 0.001 A 31 GLY HAy H 1 4.496 0.001 A 31 GLY CA C 13 44.788 0.001 A 32 VAL H H 1 8.216 0.001 A 32 VAL HA H 1 4.355 0.001 A 32 VAL HB H 1 2.203 0.001 A 32 VAL HGx% H 1 0.893 0.001 A 32 VAL HGy% H 1 0.893 0.000 A 32 VAL CA C 13 60.142 0.000 A 32 VAL CB C 13 29.421 0.000 A 32 VAL CGy C 13 21.547 0.000 A 32 VAL CGx C 13 19.870 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 ALA H A 4 ALA HB% 1.0 0.0 2.83 2 2 A 16 CYS H A 16 CYS HBx 1.0 0.0 3.43 3 3 A 15 CYS H A 15 CYS HBx 1.0 0.0 3.19 4 4 A 16 CYS H A 15 CYS HBy 1.0 0.0 2.74 5 5 A 16 CYS H A 15 CYS HA 1.0 0.0 2.67 6 6 A 22 TYR H A 22 TYR HBy 1.0 0.0 3.20 7 7 A 22 TYR H A 22 TYR HBx 1.0 0.0 3.55 8 8 A 21 CYS H A 21 CYS HBy 1.0 0.0 4.00 9 9 A 21 CYS H A 21 CYS HBx 1.0 0.0 3.56 10 10 A 30 CYS H A 30 CYS HBx 1.0 0.0 3.27 11 11 A 30 CYS H A 30 CYS HBy 1.0 0.0 3.50 12 12 A 25 PHE H A 25 PHE HBx 1.0 0.0 3.44 13 13 A 25 PHE H A 25 PHE HBy 1.0 0.0 3.27 14 14 A 9 SER H A 9 SER HBx 1.0 0.0 3.25 15 15 A 9 SER H A 9 SER HBy 1.0 0.0 3.77 16 16 A 32 VAL H A 32 VAL HGy% 1.0 0.0 4.56 17 17 A 32 VAL H A 32 VAL HGx% 1.0 0.0 4.56 18 18 A 19 LEU HBx A 20 ILE H 1.0 0.0 2.87 19 19 A 20 ILE H A 20 ILE HG1y 1.0 0.0 4.95 20 19 A 20 ILE H A 20 ILE HG1x 1.0 0.0 4.95 21 20 A 20 ILE H A 20 ILE HD1% 1.0 0.0 4.12 22 21 A 20 ILE H A 20 ILE HG2% 1.0 0.0 4.08 23 22 A 6 GLU H A 6 GLU HBy 1.0 0.0 2.84 24 22 A 6 GLU H A 6 GLU HBx 1.0 0.0 2.84 25 23 A 24 THR H A 24 THR HG2% 1.0 0.0 3.23 26 24 A 24 THR HG2% A 24 THR HA 1.0 0.0 2.70 27 25 A 8 GLU H A 8 GLU HGx 1.0 0.0 3.47 28 25 A 8 GLU H A 8 GLU HGy 1.0 0.0 3.47 29 26 A 8 GLU H A 8 GLU HBx 1.0 0.0 3.81 30 27 A 8 GLU H A 8 GLU HBy 1.0 0.0 2.85 31 28 A 3 CYS HA A 13 TYR HBx 1.0 0.0 3.57 32 29 A 28 PRO HA A 29 ILE H 1.0 0.0 2.94 33 30 A 29 ILE H A 29 ILE HB 1.0 0.0 3.60 34 31 A 29 ILE H A 29 ILE HG1x 1.0 0.0 3.27 35 31 A 29 ILE H A 29 ILE HG1y 1.0 0.0 3.27 36 32 A 29 ILE H A 29 ILE HG2% 1.0 0.0 3.95 37 33 A 29 ILE H A 29 ILE HD1% 1.0 0.0 4.27 38 34 A 28 PRO HA A 29 ILE HG1x 1.0 0.0 3.69 39 34 A 28 PRO HA A 29 ILE HG1y 1.0 0.0 3.69 40 35 A 29 ILE HA A 29 ILE HG1x 1.0 0.0 3.88 41 35 A 29 ILE HG1y A 29 ILE HA 1.0 0.0 3.88 42 36 A 29 ILE HG2% A 29 ILE HA 1.0 0.0 3.16 43 37 A 29 ILE HD1% A 29 ILE HA 1.0 0.0 2.87 44 38 A 5 GLU H A 5 GLU HGy 1.0 0.0 3.46 45 39 A 5 GLU H A 5 GLU HBy 1.0 0.0 3.71 46 40 A 5 GLU H A 5 GLU HGx 1.0 0.0 4.25 47 41 A 8 GLU HBx A 5 GLU H 1.0 0.0 4.49 48 42 A 5 GLU H A 5 GLU HBx 1.0 0.0 3.22 49 43 A 11 GLU H A 11 GLU HGy 1.0 0.0 4.25 50 43 A 11 GLU H A 11 GLU HGx 1.0 0.0 4.25 51 44 A 11 GLU H A 11 GLU HBx 1.0 0.0 3.08 52 45 A 11 GLU H A 11 GLU HBy 1.0 0.0 3.69 53 46 A 12 VAL H A 12 VAL HGy% 1.0 0.0 3.22 54 47 A 12 VAL H A 12 VAL HGx% 1.0 0.0 3.97 55 48 A 12 VAL H A 12 VAL HB 1.0 0.0 3.37 56 49 A 12 VAL HGx% A 12 VAL HA 1.0 0.0 3.27 57 50 A 12 VAL HGy% A 12 VAL HA 1.0 0.0 3.33 58 51 A 11 GLU HBy A 11 GLU HA 1.0 0.0 2.55 59 52 A 11 GLU HA A 11 GLU HGy 1.0 0.0 3.55 60 52 A 11 GLU HGx A 11 GLU HA 1.0 0.0 3.55 61 53 A 27 GLU H A 27 GLU HGx 1.0 0.0 3.54 62 53 A 27 GLU H A 27 GLU HGy 1.0 0.0 3.54 63 54 A 27 GLU HA A 27 GLU HGx 1.0 0.0 3.46 64 54 A 27 GLU HGy A 27 GLU HA 1.0 0.0 3.46 65 55 A 25 PHE HA A 25 PHE HD% 1.0 0.0 3.21 66 56 A 13 TYR H A 13 TYR HBy 1.0 0.0 3.36 67 57 A 19 LEU H A 19 LEU HBy 1.0 0.0 3.13 68 58 A 19 LEU H A 19 LEU HG 1.0 0.0 3.00 69 59 A 19 LEU HBx A 19 LEU H 1.0 0.0 3.76 70 60 A 19 LEU H A 19 LEU HDx% 1.0 0.0 3.55 71 61 A 19 LEU H A 19 LEU HDy% 1.0 0.0 3.99 72 62 A 23 PRO HA A 28 PRO HBy 1.0 0.0 3.00 73 63 A 13 TYR HA A 14 PRO HDx 1.0 0.0 2.65 74 64 A 25 PHE HA A 26 PRO HA 1.0 0.0 2.87 75 65 A 9 SER HBy A 11 GLU HGy 1.0 0.0 5.33 76 65 A 9 SER HBy A 11 GLU HGx 1.0 0.0 5.33 77 66 A 31 GLY HAy A 6 GLU HBy 1.0 0.0 4.27 78 66 A 6 GLU HBx A 31 GLY HAy 1.0 0.0 4.27 79 67 A 11 GLU HBx A 28 PRO HDy 1.0 0.0 2.82 80 68 A 20 ILE H A 31 GLY H 1.0 0.0 3.64 81 69 A 22 TYR H A 31 GLY H 1.0 0.0 4.17 82 70 A 16 CYS H A 17 ASP H 1.0 0.0 4.36 83 71 A 4 ALA H A 5 GLU H 1.0 0.0 4.60 84 72 A 31 GLY H A 22 TYR HD% 1.0 0.0 3.69 85 73 A 31 GLY H A 22 TYR HE% 1.0 0.0 4.10 86 74 A 31 GLY H A 30 CYS HA 1.0 0.0 2.94 87 75 A 4 ALA H A 3 CYS HA 1.0 0.0 3.32 88 76 A 31 GLY H A 21 CYS HA 1.0 0.0 4.06 89 77 A 15 CYS H A 14 PRO HA 1.0 0.0 3.00 90 78 A 16 CYS H A 5 GLU HA 1.0 0.0 4.20 91 79 A 30 CYS HBx A 31 GLY H 1.0 0.0 4.81 92 80 A 4 ALA H A 3 CYS HBx 1.0 0.0 3.34 93 81 A 30 CYS HBy A 31 GLY H 1.0 0.0 3.77 94 82 A 16 CYS HBx A 17 ASP H 1.0 0.0 3.74 95 83 A 15 CYS H A 14 PRO HGx 1.0 0.0 3.91 96 83 A 15 CYS H A 14 PRO HGy 1.0 0.0 3.91 97 84 A 16 CYS H A 19 LEU HDx% 1.0 0.0 3.51 98 85 A 19 LEU HDy% A 31 GLY H 1.0 0.0 4.09 99 86 A 30 CYS H A 7 GLY H 1.0 0.0 4.19 100 87 A 6 GLU H A 7 GLY H 1.0 0.0 4.38 101 88 A 8 GLU H A 7 GLY H 1.0 0.0 3.26 102 89 A 30 CYS H A 8 GLU H 1.0 0.0 4.08 103 90 A 9 SER H A 8 GLU H 1.0 0.0 4.70 104 91 A 2 TRP H A 3 CYS H 1.0 0.0 3.66 105 92 A 24 THR H A 29 ILE H 1.0 0.0 3.58 106 93 A 22 TYR H A 29 ILE H 1.0 0.0 3.87 107 94 A 22 TYR H A 22 TYR HD% 1.0 0.0 3.42 108 95 A 22 TYR H A 30 CYS HA 1.0 0.0 3.60 109 96 A 22 TYR H A 21 CYS HA 1.0 0.0 2.94 110 97 A 30 CYS H A 9 SER HA 1.0 0.0 4.43 111 98 A 30 CYS H A 29 ILE HA 1.0 0.0 2.89 112 99 A 24 THR H A 24 THR HB 1.0 0.0 3.77 113 100 A 24 THR H A 28 PRO HA 1.0 0.0 3.03 114 101 A 24 THR H A 23 PRO HA 1.0 0.0 3.13 115 102 A 9 SER H A 8 GLU HA 1.0 0.0 2.83 116 103 A 21 CYS H A 20 ILE HA 1.0 0.0 2.82 117 104 A 25 PHE H A 24 THR HA 1.0 0.0 2.61 118 105 A 20 ILE H A 19 LEU HA 1.0 0.0 2.97 119 106 A 6 GLU H A 5 GLU HA 1.0 0.0 3.25 120 107 A 32 VAL H A 31 GLY HAx 1.0 0.0 3.26 121 108 A 7 GLY H A 6 GLU HA 1.0 0.0 2.77 122 109 A 30 CYS HBx A 7 GLY H 1.0 0.0 3.87 123 110 A 30 CYS HBy A 7 GLY H 1.0 0.0 4.62 124 111 A 7 GLY H A 6 GLU HBy 1.0 0.0 3.93 125 111 A 6 GLU HBx A 7 GLY H 1.0 0.0 3.93 126 112 A 9 SER H A 8 GLU HGx 1.0 0.0 4.29 127 112 A 9 SER H A 8 GLU HGy 1.0 0.0 4.29 128 113 A 9 SER H A 8 GLU HBx 1.0 0.0 2.89 129 114 A 9 SER H A 8 GLU HBy 1.0 0.0 3.84 130 115 A 6 GLU H A 5 GLU HBy 1.0 0.0 3.01 131 116 A 6 GLU H A 5 GLU HGx 1.0 0.0 4.39 132 117 A 24 THR H A 28 PRO HBx 1.0 0.0 5.50 133 118 A 24 THR H A 28 PRO HBy 1.0 0.0 3.53 134 119 A 20 ILE H A 19 LEU HBy 1.0 0.0 5.50 135 120 A 6 GLU H A 5 GLU HBx 1.0 0.0 3.64 136 121 A 30 CYS H A 29 ILE HB 1.0 0.0 3.97 137 122 A 21 CYS H A 20 ILE HB 1.0 0.0 4.04 138 123 A 30 CYS H A 29 ILE HG1x 1.0 0.0 4.76 139 123 A 30 CYS H A 29 ILE HG1y 1.0 0.0 4.76 140 124 A 25 PHE H A 24 THR HG2% 1.0 0.0 4.23 141 125 A 19 LEU HDx% A 7 GLY H 1.0 0.0 4.01 142 126 A 29 ILE HG2% A 7 GLY H 1.0 0.0 4.01 143 127 A 19 LEU HDy% A 7 GLY H 1.0 0.0 4.67 144 128 A 30 CYS H A 29 ILE HG2% 1.0 0.0 3.54 145 129 A 30 CYS H A 29 ILE HD1% 1.0 0.0 4.54 146 130 A 20 ILE H A 19 LEU HDy% 1.0 0.0 3.78 147 131 A 6 GLU H A 19 LEU HDy% 1.0 0.0 5.50 148 132 A 20 ILE H A 19 LEU HDx% 1.0 0.0 4.69 149 133 A 6 GLU H A 19 LEU HDx% 1.0 0.0 3.41 150 134 A 9 SER H A 29 ILE HG2% 1.0 0.0 4.64 151 135 A 30 CYS H A 19 LEU HDx% 1.0 0.0 4.47 152 136 A 21 CYS H A 20 ILE HG2% 1.0 0.0 3.20 153 137 A 22 TYR H A 20 ILE HG2% 1.0 0.0 4.21 154 138 A 11 GLU H A 10 CYS H 1.0 0.0 4.06 155 139 A 12 VAL H A 13 TYR H 1.0 0.0 2.89 156 140 A 12 VAL H A 10 CYS HA 1.0 0.0 4.33 157 141 A 13 TYR H A 10 CYS HA 1.0 0.0 4.18 158 142 A 22 TYR HD% A 30 CYS HA 1.0 0.0 4.38 159 143 A 9 SER HA A 10 CYS H 1.0 0.0 2.84 160 144 A 29 ILE HA A 10 CYS H 1.0 0.0 3.32 161 145 A 3 CYS H A 2 TRP HA 1.0 0.0 3.48 162 146 A 29 ILE H A 24 THR HB 1.0 0.0 5.08 163 147 A 22 TYR HD% A 21 CYS HA 1.0 0.0 4.47 164 148 A 5 GLU H A 4 ALA HA 1.0 0.0 2.76 165 149 A 22 TYR HD% A 22 TYR HA 1.0 0.0 3.53 166 150 A 31 GLY HAy A 22 TYR HD% 1.0 0.0 4.68 167 151 A 13 TYR HD% A 14 PRO HDy 1.0 0.0 4.51 168 152 A 22 TYR HD% A 31 GLY HAx 1.0 0.0 4.05 169 153 A 12 VAL HA A 13 TYR H 1.0 0.0 3.56 170 154 A 8 GLU H A 6 GLU HA 1.0 0.0 3.92 171 155 A 9 SER HBx A 10 CYS H 1.0 0.0 4.57 172 156 A 9 SER HBy A 10 CYS H 1.0 0.0 3.54 173 157 A 22 TYR HD% A 23 PRO HDx 1.0 0.0 3.99 174 158 A 22 TYR HD% A 23 PRO HDy 1.0 0.0 3.88 175 159 A 25 PHE HD% A 26 PRO HA 1.0 0.0 2.68 176 160 A 30 CYS HBx A 8 GLU H 1.0 0.0 4.12 177 161 A 3 CYS H A 2 TRP HBy 1.0 0.0 4.43 178 162 A 3 CYS H A 2 TRP HBx 1.0 0.0 4.43 179 163 A 15 CYS HBy A 19 LEU H 1.0 0.0 3.91 180 164 A 15 CYS HBx A 19 LEU H 1.0 0.0 3.91 181 165 A 5 GLU H A 8 GLU HGx 1.0 0.0 2.88 182 165 A 8 GLU HGy A 5 GLU H 1.0 0.0 2.88 183 166 A 8 GLU HBy A 5 GLU H 1.0 0.0 3.17 184 167 A 29 ILE H A 28 PRO HBx 1.0 0.0 3.80 185 168 A 29 ILE H A 28 PRO HBy 1.0 0.0 3.72 186 169 A 10 CYS H A 28 PRO HGy 1.0 0.0 3.86 187 170 A 11 GLU HBx A 10 CYS H 1.0 0.0 4.33 188 171 A 12 VAL HB A 13 TYR H 1.0 0.0 4.11 189 172 A 12 VAL HB A 13 TYR HD% 1.0 0.0 4.21 190 173 A 27 GLU H A 26 PRO HGx 1.0 0.0 3.79 191 173 A 27 GLU H A 26 PRO HGy 1.0 0.0 3.79 192 174 A 4 ALA HB% A 8 GLU H 1.0 0.0 4.32 193 175 A 4 ALA HB% A 5 GLU H 1.0 0.0 3.35 194 176 A 22 TYR HD% A 20 ILE HB 1.0 0.0 3.94 195 177 A 24 THR HG2% A 29 ILE H 1.0 0.0 3.90 196 178 A 8 GLU H A 29 ILE HG2% 1.0 0.0 4.52 197 179 A 29 ILE HG2% A 10 CYS H 1.0 0.0 4.77 198 180 A 12 VAL HGy% A 13 TYR H 1.0 0.0 3.81 199 181 A 12 VAL HGx% A 13 TYR H 1.0 0.0 3.89 200 182 A 24 THR HG2% A 22 TYR HD% 1.0 0.0 3.93 201 183 A 12 VAL HGy% A 13 TYR HD% 1.0 0.0 4.61 202 184 A 12 VAL HGx% A 13 TYR HD% 1.0 0.0 3.78 203 185 A 20 ILE HG2% A 22 TYR HD% 1.0 0.0 3.91 204 186 A 20 ILE HD1% A 22 TYR HD% 1.0 0.0 5.50 205 187 A 29 ILE HG2% A 22 TYR HD% 1.0 0.0 5.50 206 188 A 31 GLY HAy A 22 TYR HE% 1.0 0.0 4.39 207 189 A 22 TYR HE% A 31 GLY HAx 1.0 0.0 3.42 208 190 A 13 TYR HE% A 2 TRP HBy 1.0 0.0 4.03 209 191 A 22 TYR HE% A 20 ILE HB 1.0 0.0 3.27 210 192 A 22 TYR HE% A 20 ILE HG1y 1.0 0.0 5.50 211 192 A 20 ILE HG1x A 22 TYR HE% 1.0 0.0 5.50 212 193 A 22 TYR HE% A 32 VAL HGy% 1.0 0.0 5.50 213 194 A 22 TYR HE% A 32 VAL HGx% 1.0 0.0 5.50 214 195 A 20 ILE HD1% A 22 TYR HE% 1.0 0.0 4.12 215 196 A 12 VAL HGy% A 13 TYR HE% 1.0 0.0 5.18 216 197 A 12 VAL HGx% A 13 TYR HE% 1.0 0.0 3.82 217 198 A 20 ILE HG2% A 22 TYR HE% 1.0 0.0 4.20 218 199 A 30 CYS HA A 21 CYS HA 1.0 0.0 3.26 219 200 A 3 CYS HA A 2 TRP HA 1.0 0.0 5.28 220 201 A 3 CYS HA A 13 TYR HA 1.0 0.0 5.50 221 202 A 25 PHE HA A 24 THR HB 1.0 0.0 5.50 222 203 A 29 ILE HA A 9 SER HA 1.0 0.0 3.01 223 204 A 28 PRO HA A 23 PRO HA 1.0 0.0 3.96 224 205 A 24 THR HA A 28 PRO HA 1.0 0.0 4.70 225 206 A 3 CYS HA A 14 PRO HDy 1.0 0.0 3.85 226 207 A 3 CYS HA A 14 PRO HDx 1.0 0.0 5.09 227 208 A 27 GLU HA A 28 PRO HDy 1.0 0.0 2.55 228 209 A 22 TYR HBy A 21 CYS HA 1.0 0.0 4.50 229 210 A 3 CYS HA A 13 TYR HBy 1.0 0.0 3.88 230 211 A 3 CYS HA A 14 PRO HGx 1.0 0.0 3.96 231 211 A 3 CYS HA A 14 PRO HGy 1.0 0.0 3.96 232 212 A 4 ALA HB% A 10 CYS HA 1.0 0.0 3.72 233 213 A 24 THR HB A 29 ILE HG1x 1.0 0.0 4.34 234 213 A 29 ILE HG1y A 24 THR HB 1.0 0.0 4.34 235 214 A 4 ALA HB% A 3 CYS HA 1.0 0.0 5.50 236 215 A 24 THR HG2% A 28 PRO HA 1.0 0.0 3.70 237 216 A 4 ALA HB% A 15 CYS HA 1.0 0.0 3.12 238 217 A 29 ILE HG2% A 9 SER HA 1.0 0.0 3.82 239 218 A 29 ILE HD1% A 9 SER HA 1.0 0.0 4.49 240 219 A 15 CYS HA A 19 LEU HDx% 1.0 0.0 3.58 241 220 A 16 CYS HA A 17 ASP HA 1.0 0.0 4.73 242 221 A 13 TYR HA A 14 PRO HDy 1.0 0.0 3.09 243 222 A 22 TYR HA A 23 PRO HDy 1.0 0.0 2.91 244 223 A 22 TYR HA A 23 PRO HDx 1.0 0.0 3.02 245 224 A 13 TYR HBx A 14 PRO HDy 1.0 0.0 3.34 246 225 A 13 TYR HBx A 13 TYR HA 1.0 0.0 2.97 247 226 A 16 CYS HA A 16 CYS HBy 1.0 0.0 2.97 248 227 A 3 CYS HBx A 16 CYS HA 1.0 0.0 4.24 249 228 A 17 ASP H A 16 CYS HBy 1.0 0.0 3.48 250 229 A 25 PHE HBy A 24 THR HA 1.0 0.0 4.22 251 230 A 13 TYR HBy A 14 PRO HDy 1.0 0.0 3.79 252 231 A 5 GLU HGy A 5 GLU HA 1.0 0.0 3.81 253 232 A 8 GLU HBx A 4 ALA HA 1.0 0.0 4.41 254 233 A 13 TYR HA A 14 PRO HGx 1.0 0.0 4.62 255 233 A 13 TYR HA A 14 PRO HGy 1.0 0.0 4.62 256 234 A 22 TYR HA A 23 PRO HGx 1.0 0.0 4.52 257 235 A 5 GLU HGx A 5 GLU HA 1.0 0.0 3.95 258 236 A 5 GLU HGy A 4 ALA HA 1.0 0.0 4.49 259 237 A 8 GLU HA A 8 GLU HGx 1.0 0.0 3.06 260 237 A 8 GLU HGy A 8 GLU HA 1.0 0.0 3.06 261 238 A 22 TYR HA A 23 PRO HGy 1.0 0.0 4.48 262 239 A 8 GLU HBy A 4 ALA HA 1.0 0.0 4.84 263 240 A 19 LEU HG A 19 LEU HA 1.0 0.0 3.61 264 241 A 25 PHE HA A 26 PRO HBx 1.0 0.0 4.45 265 242 A 23 PRO HA A 28 PRO HGx 1.0 0.0 5.50 266 243 A 11 GLU HBx A 27 GLU HA 1.0 0.0 4.13 267 244 A 25 PHE HA A 26 PRO HBy 1.0 0.0 4.61 268 245 A 5 GLU HBx A 4 ALA HA 1.0 0.0 4.54 269 246 A 19 LEU HDy% A 32 VAL HA 1.0 0.0 3.86 270 247 A 20 ILE HA A 20 ILE HG1y 1.0 0.0 3.75 271 247 A 20 ILE HG1x A 20 ILE HA 1.0 0.0 3.75 272 248 A 19 LEU HDx% A 5 GLU HA 1.0 0.0 3.24 273 249 A 20 ILE HD1% A 20 ILE HA 1.0 0.0 3.98 274 250 A 19 LEU HDy% A 19 LEU HA 1.0 0.0 2.87 275 251 A 32 VAL HA A 32 VAL HGy% 1.0 0.0 3.71 276 252 A 32 VAL HA A 32 VAL HGx% 1.0 0.0 3.71 277 253 A 31 GLY HAy A 32 VAL HGy% 1.0 0.0 4.38 278 254 A 31 GLY HAy A 32 VAL HGx% 1.0 0.0 4.38 279 255 A 19 LEU HDy% A 31 GLY HAy 1.0 0.0 3.22 280 256 A 24 THR HG2% A 23 PRO HA 1.0 0.0 4.32 281 257 A 31 GLY HAx A 32 VAL HGy% 1.0 0.0 5.10 282 258 A 31 GLY HAx A 32 VAL HGx% 1.0 0.0 5.10 283 259 A 19 LEU HA A 20 ILE HG1y 1.0 0.0 5.50 284 259 A 20 ILE HG1x A 19 LEU HA 1.0 0.0 5.50 285 260 A 19 LEU HA A 32 VAL HGy% 1.0 0.0 5.50 286 261 A 19 LEU HA A 32 VAL HGx% 1.0 0.0 5.50 287 262 A 20 ILE HG2% A 20 ILE HA 1.0 0.0 3.07 288 263 A 20 ILE HG2% A 22 TYR HA 1.0 0.0 3.85 289 264 A 30 CYS HBx A 6 GLU HA 1.0 0.0 4.31 290 265 A 25 PHE HBx A 26 PRO HA 1.0 0.0 3.12 291 266 A 25 PHE HBy A 26 PRO HA 1.0 0.0 3.97 292 267 A 30 CYS HBy A 6 GLU HA 1.0 0.0 3.90 293 268 A 22 TYR HBx A 23 PRO HDy 1.0 0.0 4.00 294 269 A 22 TYR HBx A 23 PRO HDx 1.0 0.0 4.16 295 270 A 15 CYS HBy A 19 LEU HBy 1.0 0.0 3.07 296 271 A 3 CYS HBy A 14 PRO HGx 1.0 0.0 3.97 297 271 A 14 PRO HGy A 3 CYS HBy 1.0 0.0 3.97 298 272 A 15 CYS HBy A 19 LEU HBx 1.0 0.0 3.85 299 273 A 22 TYR HBy A 24 THR HG2% 1.0 0.0 3.48 300 274 A 15 CYS HBy A 19 LEU HDx% 1.0 0.0 3.34 301 275 A 19 LEU HDx% A 6 GLU HA 1.0 0.0 3.37 302 276 A 19 LEU HDy% A 6 GLU HA 1.0 0.0 3.69 303 277 A 3 CYS HBx A 14 PRO HGx 1.0 0.0 3.73 304 277 A 3 CYS HBx A 14 PRO HGy 1.0 0.0 3.73 305 278 A 13 TYR HBx A 14 PRO HGx 1.0 0.0 4.22 306 278 A 13 TYR HBx A 14 PRO HGy 1.0 0.0 4.22 307 279 A 8 GLU HBx A 8 GLU HGx 1.0 0.0 2.77 308 279 A 8 GLU HGy A 8 GLU HBx 1.0 0.0 2.77 309 280 A 8 GLU HBy A 8 GLU HGx 1.0 0.0 2.84 310 280 A 8 GLU HGy A 8 GLU HBy 1.0 0.0 2.84 311 281 A 11 GLU HBy A 11 GLU HGy 1.0 0.0 2.87 312 281 A 11 GLU HGx A 11 GLU HBy 1.0 0.0 2.87 313 282 A 11 GLU HBx A 11 GLU HGy 1.0 0.0 2.91 314 282 A 11 GLU HGx A 11 GLU HBx 1.0 0.0 2.91 315 283 A 5 GLU HGy A 5 GLU HBx 1.0 0.0 2.90 316 284 A 4 ALA HB% A 13 TYR HBx 1.0 0.0 3.63 317 285 A 22 TYR HBx A 24 THR HG2% 1.0 0.0 3.32 318 286 A 16 CYS HBx A 19 LEU HDx% 1.0 0.0 4.83 319 287 A 15 CYS HBx A 19 LEU HDx% 1.0 0.0 3.73 320 288 A 30 CYS HBy A 19 LEU HDx% 1.0 0.0 3.23 321 289 A 4 ALA HB% A 8 GLU HBx 1.0 0.0 4.67 322 290 A 4 ALA HB% A 8 GLU HGx 1.0 0.0 4.08 323 290 A 4 ALA HB% A 8 GLU HGy 1.0 0.0 4.08 324 291 A 12 VAL HGy% A 11 GLU HGy 1.0 0.0 3.83 325 291 A 11 GLU HGx A 12 VAL HGy% 1.0 0.0 3.83 326 292 A 30 CYS HBy A 19 LEU HDy% 1.0 0.0 4.03 327 293 A 19 LEU HBy A 19 LEU HG 1.0 0.0 2.98 328 294 A 19 LEU HBx A 19 LEU HG 1.0 0.0 3.00 329 295 A 4 ALA HB% A 8 GLU HBy 1.0 0.0 2.82 330 296 A 19 LEU HDx% A 6 GLU HBy 1.0 0.0 3.22 331 296 A 6 GLU HBx A 19 LEU HDx% 1.0 0.0 3.22 332 297 A 19 LEU HBy A 19 LEU HDx% 1.0 0.0 3.35 333 298 A 11 GLU HBx A 12 VAL HGy% 1.0 0.0 5.38 334 299 A 19 LEU HDy% A 6 GLU HBy 1.0 0.0 2.40 335 299 A 6 GLU HBx A 19 LEU HDy% 1.0 0.0 2.40 336 300 A 24 THR HG2% A 29 ILE HG1x 1.0 0.0 3.67 337 300 A 24 THR HG2% A 29 ILE HG1y 1.0 0.0 3.67 338 301 A 20 ILE HD1% A 20 ILE HB 1.0 0.0 3.02 339 302 A 19 LEU HBx A 19 LEU HDy% 1.0 0.0 4.17 340 303 A 29 ILE HG2% A 29 ILE HG1x 1.0 0.0 3.61 341 303 A 29 ILE HG1y A 29 ILE HG2% 1.0 0.0 3.61 342 304 A 24 THR HG2% A 29 ILE HG2% 1.0 0.0 4.57 343 305 A 24 THR HG2% A 29 ILE HD1% 1.0 0.0 4.25 344 306 A 19 LEU HDy% A 32 VAL HGy% 1.0 0.0 4.71 345 307 A 19 LEU HDy% A 32 VAL HGx% 1.0 0.0 4.71 346 308 A 20 ILE HD1% A 20 ILE HG2% 1.0 0.0 3.05 347 309 A 20 ILE HG2% A 20 ILE HG1y 1.0 0.0 3.16 348 309 A 20 ILE HG1x A 20 ILE HG2% 1.0 0.0 3.16 349 310 A 30 CYS H A 31 GLY H 1.0 0.0 4.48 350 311 A 32 VAL H A 31 GLY H 1.0 0.0 5.05 351 312 A 31 GLY H A 19 LEU HA 1.0 0.0 4.80 352 313 A 19 LEU HBy A 31 GLY H 1.0 0.0 4.35 353 314 A 31 GLY H A 20 ILE HG1y 1.0 0.0 5.50 354 314 A 20 ILE HG1x A 31 GLY H 1.0 0.0 5.50 355 315 A 19 LEU HDx% A 31 GLY H 1.0 0.0 4.85 356 316 A 20 ILE HD1% A 31 GLY H 1.0 0.0 5.34 357 317 A 29 ILE HG2% A 31 GLY H 1.0 0.0 5.50 358 318 A 20 ILE HG2% A 31 GLY H 1.0 0.0 4.72 359 319 A 22 TYR H A 21 CYS H 1.0 0.0 4.40 360 320 A 21 CYS H A 20 ILE H 1.0 0.0 4.52 361 321 A 4 ALA H A 3 CYS H 1.0 0.0 4.76 362 322 A 30 CYS H A 29 ILE H 1.0 0.0 4.59 363 323 A 30 CYS H A 10 CYS H 1.0 0.0 4.27 364 324 A 4 ALA H A 13 TYR HD% 1.0 0.0 5.02 365 325 A 22 TYR H A 22 TYR HE% 1.0 0.0 5.11 366 326 A 21 CYS H A 30 CYS HA 1.0 0.0 5.10 367 327 A 22 TYR H A 28 PRO HA 1.0 0.0 5.04 368 328 A 22 TYR H A 29 ILE HA 1.0 0.0 5.43 369 329 A 7 GLY H A 8 GLU HA 1.0 0.0 5.09 370 330 A 31 GLY HAy A 7 GLY H 1.0 0.0 5.44 371 331 A 4 ALA H A 14 PRO HDy 1.0 0.0 5.27 372 332 A 7 GLY H A 31 GLY HAx 1.0 0.0 5.50 373 333 A 22 TYR H A 31 GLY HAx 1.0 0.0 5.50 374 334 A 22 TYR H A 23 PRO HDy 1.0 0.0 4.83 375 335 A 30 CYS H A 6 GLU HA 1.0 0.0 4.86 376 336 A 4 ALA H A 13 TYR HBy 1.0 0.0 4.32 377 337 A 22 TYR H A 28 PRO HBx 1.0 0.0 4.93 378 338 A 30 CYS H A 8 GLU HBy 1.0 0.0 4.79 379 339 A 16 CYS H A 19 LEU HBy 1.0 0.0 3.89 380 340 A 22 TYR H A 29 ILE HB 1.0 0.0 4.31 381 341 A 22 TYR H A 29 ILE HG1x 1.0 0.0 5.07 382 341 A 22 TYR H A 29 ILE HG1y 1.0 0.0 5.07 383 342 A 22 TYR H A 24 THR HG2% 1.0 0.0 4.50 384 343 A 4 ALA HB% A 30 CYS H 1.0 0.0 5.44 385 344 A 21 CYS H A 20 ILE HG1y 1.0 0.0 4.56 386 344 A 21 CYS H A 20 ILE HG1x 1.0 0.0 4.56 387 345 A 21 CYS H A 20 ILE HD1% 1.0 0.0 5.32 388 346 A 16 CYS H A 19 LEU HDy% 1.0 0.0 5.02 389 347 A 25 PHE H A 24 THR H 1.0 0.0 4.68 390 348 A 8 GLU H A 5 GLU H 1.0 0.0 4.49 391 349 A 9 SER H A 10 CYS H 1.0 0.0 4.62 392 350 A 6 GLU H A 5 GLU H 1.0 0.0 4.72 393 351 A 25 PHE H A 25 PHE HD% 1.0 0.0 4.05 394 352 A 2 TRP H A 2 TRP HD1 1.0 0.0 4.46 395 353 A 20 ILE H A 22 TYR HD% 1.0 0.0 5.04 396 354 A 24 THR H A 22 TYR HD% 1.0 0.0 5.50 397 355 A 3 CYS H A 13 TYR HD% 1.0 0.0 5.06 398 356 A 29 ILE H A 22 TYR HD% 1.0 0.0 5.50 399 357 A 20 ILE H A 19 LEU H 1.0 0.0 4.56 400 358 A 32 VAL H A 22 TYR HE% 1.0 0.0 4.42 401 359 A 20 ILE H A 22 TYR HE% 1.0 0.0 4.56 402 360 A 20 ILE H A 30 CYS HA 1.0 0.0 4.48 403 361 A 29 ILE H A 9 SER HA 1.0 0.0 5.17 404 362 A 25 PHE H A 24 THR HB 1.0 0.0 4.20 405 363 A 9 SER H A 29 ILE HA 1.0 0.0 5.01 406 364 A 29 ILE H A 21 CYS HA 1.0 0.0 5.03 407 365 A 29 ILE H A 23 PRO HA 1.0 0.0 5.50 408 366 A 20 ILE H A 32 VAL HA 1.0 0.0 4.33 409 367 A 24 THR HA A 29 ILE H 1.0 0.0 5.50 410 368 A 22 TYR HBy A 24 THR H 1.0 0.0 4.53 411 369 A 22 TYR HBx A 24 THR H 1.0 0.0 4.20 412 370 A 22 TYR HBx A 29 ILE H 1.0 0.0 4.75 413 371 A 22 TYR HBy A 29 ILE H 1.0 0.0 3.03 414 372 A 30 CYS HBy A 8 GLU H 1.0 0.0 5.15 415 373 A 32 VAL H A 32 VAL HB 1.0 0.0 3.94 416 374 A 29 ILE H A 28 PRO HGy 1.0 0.0 4.91 417 375 A 29 ILE H A 28 PRO HGx 1.0 0.0 5.50 418 376 A 20 ILE H A 19 LEU HG 1.0 0.0 4.73 419 377 A 24 THR H A 28 PRO HGy 1.0 0.0 5.50 420 378 A 24 THR H A 23 PRO HBy 1.0 0.0 4.65 421 379 A 8 GLU H A 6 GLU HBy 1.0 0.0 5.24 422 379 A 6 GLU HBx A 8 GLU H 1.0 0.0 5.24 423 380 A 8 GLU H A 29 ILE HB 1.0 0.0 5.50 424 381 A 24 THR H A 29 ILE HG1x 1.0 0.0 4.76 425 381 A 24 THR H A 29 ILE HG1y 1.0 0.0 4.76 426 382 A 4 ALA HB% A 9 SER H 1.0 0.0 4.33 427 383 A 32 VAL H A 19 LEU HDx% 1.0 0.0 5.18 428 384 A 8 GLU H A 29 ILE HD1% 1.0 0.0 5.50 429 385 A 9 SER H A 29 ILE HD1% 1.0 0.0 5.11 430 386 A 32 VAL H A 19 LEU HDy% 1.0 0.0 5.10 431 387 A 13 TYR H A 13 TYR HD% 1.0 0.0 4.22 432 388 A 12 VAL H A 13 TYR HD% 1.0 0.0 4.67 433 389 A 9 SER HBy A 11 GLU H 1.0 0.0 4.05 434 390 A 26 PRO HA A 25 PHE HE% 1.0 0.0 5.50 435 391 A 12 VAL H A 13 TYR HBy 1.0 0.0 4.42 436 392 A 28 PRO HBx A 10 CYS H 1.0 0.0 4.54 437 393 A 28 PRO HBy A 10 CYS H 1.0 0.0 5.50 438 394 A 26 PRO HBy A 25 PHE HE% 1.0 0.0 4.87 439 395 A 4 ALA HB% A 13 TYR H 1.0 0.0 4.46 440 396 A 29 ILE HD1% A 10 CYS H 1.0 0.0 3.63 441 397 A 3 CYS HA A 13 TYR HD% 1.0 0.0 4.63 442 398 A 13 TYR HA A 13 TYR HE% 1.0 0.0 4.66 443 399 A 13 TYR HA A 13 TYR HD% 1.0 0.0 3.81 444 400 A 2 TRP HA A 2 TRP HD1 1.0 0.0 5.25 445 401 A 22 TYR HE% A 32 VAL HA 1.0 0.0 4.03 446 402 A 14 PRO HDx A 13 TYR HD% 1.0 0.0 4.29 447 403 A 13 TYR HD% A 2 TRP HBy 1.0 0.0 4.44 448 404 A 13 TYR HE% A 2 TRP HBx 1.0 0.0 4.03 449 405 A 12 VAL HB A 13 TYR HE% 1.0 0.0 5.50 450 406 A 4 ALA HB% A 13 TYR HD% 1.0 0.0 5.20 451 407 A 24 THR HG2% A 22 TYR HE% 1.0 0.0 5.50 452 408 A 19 LEU HDy% A 22 TYR HD% 1.0 0.0 5.50 453 409 A 9 SER HA A 10 CYS HA 1.0 0.0 4.53 454 410 A 29 ILE HA A 30 CYS HA 1.0 0.0 4.47 455 411 A 29 ILE HA A 21 CYS HA 1.0 0.0 5.41 456 412 A 31 GLY HAy A 30 CYS HA 1.0 0.0 4.42 457 413 A 9 SER HA A 8 GLU HA 1.0 0.0 4.40 458 414 A 15 CYS HA A 16 CYS HA 1.0 0.0 5.50 459 415 A 3 CYS HA A 4 ALA HA 1.0 0.0 5.20 460 416 A 15 CYS HA A 4 ALA HA 1.0 0.0 5.35 461 417 A 9 SER HBx A 29 ILE HA 1.0 0.0 5.28 462 418 A 22 TYR HBy A 28 PRO HA 1.0 0.0 4.65 463 419 A 22 TYR HBx A 28 PRO HA 1.0 0.0 5.12 464 420 A 15 CYS HA A 3 CYS HBx 1.0 0.0 4.20 465 421 A 13 TYR HBx A 10 CYS HA 1.0 0.0 5.10 466 422 A 16 CYS HBx A 15 CYS HA 1.0 0.0 4.87 467 423 A 3 CYS HA A 14 PRO HBy 1.0 0.0 5.50 468 423 A 3 CYS HA A 14 PRO HBx 1.0 0.0 5.50 469 424 A 11 GLU HBx A 10 CYS HA 1.0 0.0 5.50 470 425 A 9 SER HA A 28 PRO HGy 1.0 0.0 5.03 471 426 A 29 ILE HB A 24 THR HB 1.0 0.0 5.50 472 427 A 9 SER HA A 29 ILE HG1x 1.0 0.0 4.39 473 427 A 29 ILE HG1y A 9 SER HA 1.0 0.0 4.39 474 428 A 19 LEU HBx A 30 CYS HA 1.0 0.0 4.45 475 429 A 19 LEU HDx% A 30 CYS HA 1.0 0.0 4.33 476 430 A 29 ILE HG2% A 30 CYS HA 1.0 0.0 5.02 477 431 A 19 LEU HDy% A 30 CYS HA 1.0 0.0 5.18 478 432 A 3 CYS HA A 12 VAL HGy% 1.0 0.0 5.45 479 433 A 29 ILE HD1% A 24 THR HB 1.0 0.0 5.50 480 434 A 21 CYS HA A 22 TYR HA 1.0 0.0 4.77 481 435 A 24 THR HA A 25 PHE HA 1.0 0.0 4.71 482 436 A 31 GLY HAy A 19 LEU HA 1.0 0.0 5.47 483 437 A 24 THR HA A 23 PRO HA 1.0 0.0 5.50 484 438 A 21 CYS HA A 20 ILE HA 1.0 0.0 4.51 485 439 A 5 GLU HA A 4 ALA HA 1.0 0.0 4.42 486 440 A 9 SER HBx A 8 GLU HA 1.0 0.0 4.67 487 441 A 15 CYS HBy A 19 LEU HA 1.0 0.0 5.50 488 442 A 27 GLU HA A 11 GLU HGy 1.0 0.0 5.23 489 442 A 11 GLU HGx A 27 GLU HA 1.0 0.0 5.23 490 443 A 4 ALA HA A 8 GLU HGx 1.0 0.0 3.81 491 443 A 8 GLU HGy A 4 ALA HA 1.0 0.0 3.81 492 444 A 22 TYR HA A 23 PRO HBy 1.0 0.0 4.91 493 445 A 25 PHE HA A 26 PRO HGx 1.0 0.0 5.50 494 445 A 25 PHE HA A 26 PRO HGy 1.0 0.0 5.50 495 446 A 20 ILE HB A 32 VAL HA 1.0 0.0 4.33 496 447 A 4 ALA HB% A 14 PRO HA 1.0 0.0 5.50 497 448 A 4 ALA HB% A 13 TYR HA 1.0 0.0 5.50 498 449 A 4 ALA HB% A 8 GLU HA 1.0 0.0 4.71 499 450 A 24 THR HG2% A 22 TYR HA 1.0 0.0 4.65 500 451 A 19 LEU HDx% A 16 CYS HA 1.0 0.0 4.78 501 452 A 29 ILE HG2% A 21 CYS HA 1.0 0.0 5.50 502 453 A 12 VAL HGx% A 13 TYR HA 1.0 0.0 4.37 503 454 A 29 ILE HG2% A 8 GLU HA 1.0 0.0 5.34 504 455 A 20 ILE HG2% A 19 LEU HA 1.0 0.0 5.50 505 456 A 20 ILE HG2% A 21 CYS HA 1.0 0.0 4.24 506 457 A 22 TYR HBy A 23 PRO HDy 1.0 0.0 4.18 507 458 A 5 GLU HA A 16 CYS HBy 1.0 0.0 4.42 508 459 A 21 CYS HBx A 20 ILE HA 1.0 0.0 4.53 509 460 A 9 SER HBx A 27 GLU HGx 1.0 0.0 4.35 510 460 A 9 SER HBx A 27 GLU HGy 1.0 0.0 4.35 511 461 A 9 SER HBx A 27 GLU HBy 1.0 0.0 5.13 512 462 A 9 SER HBx A 27 GLU HBx 1.0 0.0 5.13 513 463 A 4 ALA HB% A 5 GLU HA 1.0 0.0 4.45 514 464 A 4 ALA HB% A 14 PRO HDy 1.0 0.0 4.94 515 465 A 9 SER HBy A 29 ILE HG2% 1.0 0.0 5.50 516 466 A 9 SER HBx A 29 ILE HG2% 1.0 0.0 5.12 517 467 A 9 SER HBx A 29 ILE HD1% 1.0 0.0 5.08 518 468 A 19 LEU HDy% A 5 GLU HA 1.0 0.0 5.39 519 469 A 20 ILE HG2% A 23 PRO HDy 1.0 0.0 5.18 520 470 A 20 ILE HG2% A 23 PRO HDx 1.0 0.0 4.78 521 471 A 22 TYR HBy A 23 PRO HDx 1.0 0.0 5.22 522 472 A 8 GLU HBy A 6 GLU HA 1.0 0.0 5.50 523 473 A 30 CYS HBx A 19 LEU HBx 1.0 0.0 4.60 524 474 A 22 TYR HBy A 29 ILE HG1x 1.0 0.0 4.48 525 474 A 22 TYR HBy A 29 ILE HG1y 1.0 0.0 4.48 526 475 A 30 CYS HBx A 19 LEU HDy% 1.0 0.0 4.89 527 476 A 22 TYR HBy A 29 ILE HG2% 1.0 0.0 4.84 528 477 A 21 CYS HBy A 20 ILE HG2% 1.0 0.0 4.73 529 478 A 22 TYR HBy A 20 ILE HG2% 1.0 0.0 5.08 530 479 A 4 ALA HB% A 5 GLU HGy 1.0 0.0 5.50 531 480 A 4 ALA HB% A 15 CYS HBx 1.0 0.0 5.50 532 481 A 4 ALA HB% A 15 CYS HBy 1.0 0.0 5.50 533 482 A 22 TYR HBx A 29 ILE HG1x 1.0 0.0 5.23 534 482 A 22 TYR HBx A 29 ILE HG1y 1.0 0.0 5.23 535 483 A 15 CYS HBy A 19 LEU HG 1.0 0.0 3.88 536 484 A 15 CYS HBy A 19 LEU HDy% 1.0 0.0 4.32 537 485 A 21 CYS HBx A 20 ILE HG2% 1.0 0.0 3.60 538 486 A 12 VAL HGx% A 11 GLU HGy 1.0 0.0 4.73 539 486 A 11 GLU HGx A 12 VAL HGx% 1.0 0.0 4.73 540 487 A 31 GLY H A 6 GLU HA 1.0 0.0 5.50 541 488 A 19 LEU HDx% A 17 ASP H 1.0 0.0 4.84 542 489 A 19 LEU HBx A 31 GLY H 1.0 0.0 2.86 543 490 A 12 VAL H A 13 TYR HA 1.0 0.0 4.81 544 491 A 19 LEU H A 18 GLY HAy 1.0 0.0 3.00 545 492 A 15 CYS HBx A 19 LEU HBy 1.0 0.0 3.18 546 493 A 6 GLU H A 5 GLU HGy 1.0 0.0 3.69 547 494 A 16 CYS H A 15 CYS HBx 1.0 0.0 3.24 548 495 A 29 ILE H A 10 CYS H 1.0 0.0 5.50 549 496 A 24 THR H A 25 PHE HD% 1.0 0.0 5.28 550 497 A 3 CYS H A 13 TYR HE% 1.0 0.0 5.50 551 498 A 11 GLU H A 9 SER HA 1.0 0.0 4.02 552 499 A 3 CYS HA A 2 TRP H 1.0 0.0 4.95 553 500 A 28 PRO HDy A 10 CYS H 1.0 0.0 5.50 554 501 A 24 THR H A 23 PRO HDx 1.0 0.0 5.29 555 502 A 3 CYS H A 1 PCA HA 1.0 0.0 5.50 556 503 A 9 SER HBx A 11 GLU H 1.0 0.0 5.01 557 504 A 13 TYR HBx A 12 VAL H 1.0 0.0 5.50 558 505 A 13 TYR HBy A 3 CYS H 1.0 0.0 5.50 559 506 A 30 CYS HBy A 20 ILE H 1.0 0.0 5.12 560 507 A 10 CYS H A 11 GLU HGy 1.0 0.0 5.46 561 507 A 11 GLU HGx A 10 CYS H 1.0 0.0 5.46 562 508 A 10 CYS H A 29 ILE HG1x 1.0 0.0 5.32 563 508 A 29 ILE HG1y A 10 CYS H 1.0 0.0 5.32 564 509 A 4 ALA HB% A 10 CYS H 1.0 0.0 4.63 565 510 A 8 GLU H A 29 ILE HG1x 1.0 0.0 5.50 566 510 A 8 GLU H A 29 ILE HG1y 1.0 0.0 5.50 567 511 A 24 THR H A 29 ILE HB 1.0 0.0 5.50 568 512 A 24 THR H A 29 ILE HD1% 1.0 0.0 5.50 569 513 A 3 CYS HA A 13 TYR HE% 1.0 0.0 5.50 570 514 A 22 TYR HE% A 30 CYS HA 1.0 0.0 5.50 571 515 A 3 CYS HA A 13 TYR H 1.0 0.0 5.50 572 516 A 25 PHE HD% A 24 THR HB 1.0 0.0 5.50 573 517 A 15 CYS HA A 19 LEU H 1.0 0.0 4.89 574 518 A 25 PHE HA A 25 PHE HE% 1.0 0.0 5.09 575 519 A 22 TYR HE% A 23 PRO HDy 1.0 0.0 4.67 576 520 A 19 LEU H A 17 ASP HA 1.0 0.0 5.46 577 521 A 22 TYR HE% A 23 PRO HDx 1.0 0.0 5.50 578 522 A 30 CYS HBy A 19 LEU H 1.0 0.0 5.50 579 523 A 16 CYS HBx A 19 LEU H 1.0 0.0 5.47 580 524 A 13 TYR HD% A 14 PRO HGx 1.0 0.0 3.66 581 524 A 14 PRO HGy A 13 TYR HD% 1.0 0.0 3.66 582 525 A 22 TYR HD% A 29 ILE HG1x 1.0 0.0 5.50 583 525 A 29 ILE HG1y A 22 TYR HD% 1.0 0.0 5.50 584 526 A 29 ILE HB A 22 TYR HD% 1.0 0.0 5.50 585 527 A 19 LEU H A 20 ILE HG1y 1.0 0.0 5.50 586 527 A 20 ILE HG1x A 19 LEU H 1.0 0.0 5.50 587 528 A 19 LEU H A 32 VAL HGy% 1.0 0.0 5.50 588 529 A 19 LEU H A 32 VAL HGx% 1.0 0.0 5.50 589 530 A 13 TYR HA A 10 CYS HA 1.0 0.0 5.16 590 531 A 30 CYS HA A 19 LEU HA 1.0 0.0 5.50 591 532 A 30 CYS HA A 20 ILE HA 1.0 0.0 5.22 592 533 A 15 CYS HA A 5 GLU HA 1.0 0.0 4.68 593 534 A 9 SER HBy A 10 CYS HA 1.0 0.0 5.50 594 535 A 30 CYS HA A 6 GLU HA 1.0 0.0 5.50 595 536 A 22 TYR HBy A 30 CYS HA 1.0 0.0 5.10 596 537 A 15 CYS HBy A 30 CYS HA 1.0 0.0 4.81 597 538 A 21 CYS HBx A 30 CYS HA 1.0 0.0 5.37 598 539 A 30 CYS HBy A 21 CYS HA 1.0 0.0 5.24 599 540 A 10 CYS HA A 11 GLU HGy 1.0 0.0 5.50 600 540 A 11 GLU HGx A 10 CYS HA 1.0 0.0 5.50 601 541 A 8 GLU HBx A 10 CYS HA 1.0 0.0 5.50 602 542 A 30 CYS HA A 28 PRO HBx 1.0 0.0 5.50 603 543 A 9 SER HA A 27 GLU HGx 1.0 0.0 4.42 604 543 A 27 GLU HGy A 9 SER HA 1.0 0.0 4.42 605 544 A 29 ILE HB A 30 CYS HA 1.0 0.0 5.00 606 545 A 19 LEU HBy A 30 CYS HA 1.0 0.0 4.45 607 546 A 8 GLU HBx A 9 SER HA 1.0 0.0 5.10 608 547 A 24 THR HG2% A 21 CYS HA 1.0 0.0 5.50 609 548 A 4 ALA HB% A 9 SER HA 1.0 0.0 4.76 610 549 A 27 GLU HA A 26 PRO HGx 1.0 0.0 5.50 611 549 A 27 GLU HA A 26 PRO HGy 1.0 0.0 5.50 612 550 A 20 ILE HG2% A 30 CYS HA 1.0 0.0 5.27 613 551 A 31 GLY HAx A 32 VAL HA 1.0 0.0 5.28 614 552 A 31 GLY HAx A 6 GLU HA 1.0 0.0 5.12 615 553 A 3 CYS HBx A 4 ALA HA 1.0 0.0 5.50 616 554 A 13 TYR HBx A 4 ALA HA 1.0 0.0 5.50 617 555 A 31 GLY HAy A 20 ILE HB 1.0 0.0 5.50 618 556 A 24 THR HG2% A 25 PHE HA 1.0 0.0 5.50 619 557 A 12 VAL HGy% A 13 TYR HA 1.0 0.0 4.08 620 558 A 20 ILE HD1% A 32 VAL HA 1.0 0.0 5.33 621 559 A 25 PHE HBx A 26 PRO HBy 1.0 0.0 5.39 622 560 A 25 PHE HBx A 26 PRO HBx 1.0 0.0 5.50 623 561 A 30 CYS HBy A 19 LEU HBx 1.0 0.0 4.30 624 562 A 2 TRP H A 2 TRP HE1 1.0 0.0 5.50 625 563 A 2 TRP HA A 2 TRP HE1 1.0 0.0 5.50 626 564 A 19 LEU H A 17 ASP H 1.0 0.0 5.50 627 565 A 15 CYS HA A 17 ASP H 1.0 0.0 5.29 628 566 A 31 GLY H A 32 VAL HA 1.0 0.0 5.50 629 567 A 15 CYS HBy A 31 GLY H 1.0 0.0 5.50 630 568 A 22 TYR HBy A 31 GLY H 1.0 0.0 5.17 631 569 A 29 ILE HB A 31 GLY H 1.0 0.0 5.29 632 570 A 16 CYS H A 19 LEU H 1.0 0.0 5.50 633 571 A 4 ALA H A 10 CYS HA 1.0 0.0 5.50 634 572 A 8 GLU H A 29 ILE HA 1.0 0.0 4.66 635 573 A 21 CYS H A 31 GLY H 1.0 0.0 5.50 636 574 A 31 GLY H A 20 ILE HA 1.0 0.0 5.20 637 575 A 15 CYS H A 14 PRO HDy 1.0 0.0 5.50 638 576 A 15 CYS H A 14 PRO HDx 1.0 0.0 5.50 639 577 A 4 ALA H A 14 PRO HBy 1.0 0.0 5.00 640 577 A 4 ALA H A 14 PRO HBx 1.0 0.0 5.00 641 578 A 4 ALA H A 14 PRO HGx 1.0 0.0 4.23 642 578 A 4 ALA H A 14 PRO HGy 1.0 0.0 4.23 643 579 A 16 CYS H A 19 LEU HBx 1.0 0.0 5.50 644 580 A 2 TRP HA A 2 TRP HE3 1.0 0.0 4.70 645 581 A 13 TYR HD% A 2 TRP HBx 1.0 0.0 4.44 646 582 A 31 GLY HAy A 6 GLU HA 1.0 0.0 5.31 647 583 A 5 GLU HA A 6 GLU HA 1.0 0.0 4.54 648 584 A 16 CYS HBx A 17 ASP HA 1.0 0.0 4.62 649 585 A 9 SER HBx A 29 ILE HG1x 1.0 0.0 5.50 650 585 A 9 SER HBx A 29 ILE HG1y 1.0 0.0 5.50 651 586 A 4 ALA HB% A 9 SER HBx 1.0 0.0 5.50 652 587 A 5 GLU HGx A 6 GLU HA 1.0 0.0 4.82 653 588 A 24 THR HG2% A 23 PRO HDx 1.0 0.0 4.90 654 589 A 24 THR HG2% A 23 PRO HDy 1.0 0.0 4.49 655 590 A 4 ALA HB% A 9 SER HBy 1.0 0.0 5.50 656 591 A 4 ALA HB% A 14 PRO HDx 1.0 0.0 5.50 657 592 A 9 SER HBy A 29 ILE HD1% 1.0 0.0 3.98 658 593 A 3 CYS HBx A 14 PRO HBy 1.0 0.0 4.44 659 593 A 3 CYS HBx A 14 PRO HBx 1.0 0.0 4.44 660 594 A 22 TYR HBx A 23 PRO HGy 1.0 0.0 4.62 661 595 A 30 CYS HBx A 29 ILE HG2% 1.0 0.0 4.31 662 596 A 2 TRP H A 2 TRP HBx 1.0 0.0 3.31 663 596 A 2 TRP H A 2 TRP HBy 1.0 0.0 3.31 664 597 A 3 CYS H A 2 TRP HBx 1.0 0.0 3.61 665 597 A 3 CYS H A 2 TRP HBy 1.0 0.0 3.61 666 598 A 3 CYS HA A 2 TRP HBx 1.0 0.0 4.96 667 598 A 3 CYS HA A 2 TRP HBy 1.0 0.0 4.96 668 599 A 13 TYR HE% A 2 TRP HBx 1.0 0.0 3.44 669 599 A 13 TYR HE% A 2 TRP HBy 1.0 0.0 3.44 670 600 A 4 ALA HB% A 10 CYS HBy 1.0 0.0 4.37 671 600 A 4 ALA HB% A 10 CYS HBx 1.0 0.0 4.37 672 601 A 6 GLU H A 6 GLU HGx 1.0 0.0 2.70 673 601 A 6 GLU H A 6 GLU HGy 1.0 0.0 2.70 674 602 A 6 GLU HA A 7 GLY HAx 1.0 0.0 4.44 675 602 A 6 GLU HA A 7 GLY HAy 1.0 0.0 4.44 676 603 A 7 GLY H A 6 GLU HGx 1.0 0.0 4.59 677 603 A 7 GLY H A 6 GLU HGy 1.0 0.0 4.59 678 604 A 19 LEU HDx% A 6 GLU HGx 1.0 0.0 4.56 679 604 A 19 LEU HDx% A 6 GLU HGy 1.0 0.0 4.56 680 605 A 19 LEU HDy% A 6 GLU HGx 1.0 0.0 4.16 681 605 A 19 LEU HDy% A 6 GLU HGy 1.0 0.0 4.16 682 606 A 29 ILE HG2% A 7 GLY HAx 1.0 0.0 4.14 683 606 A 29 ILE HG2% A 7 GLY HAy 1.0 0.0 4.14 684 607 A 29 ILE HD1% A 7 GLY HAx 1.0 0.0 4.50 685 607 A 29 ILE HD1% A 7 GLY HAy 1.0 0.0 4.50 686 608 A 9 SER HA A 27 GLU HBy 1.0 0.0 5.34 687 608 A 9 SER HA A 27 GLU HBx 1.0 0.0 5.34 688 609 A 9 SER HBy A 27 GLU HBy 1.0 0.0 3.35 689 609 A 9 SER HBy A 27 GLU HBx 1.0 0.0 3.35 690 610 A 9 SER HBx A 27 GLU HBy 1.0 0.0 4.46 691 610 A 9 SER HBx A 27 GLU HBx 1.0 0.0 4.46 692 611 A 14 PRO HA A 10 CYS HBy 1.0 0.0 5.34 693 611 A 14 PRO HA A 10 CYS HBx 1.0 0.0 5.34 694 612 A 15 CYS H A 10 CYS HBy 1.0 0.0 5.34 695 612 A 15 CYS H A 10 CYS HBx 1.0 0.0 5.34 696 613 A 17 ASP H A 17 ASP HBx 1.0 0.0 3.49 697 613 A 17 ASP H A 17 ASP HBy 1.0 0.0 3.49 698 614 A 19 LEU H A 17 ASP HBx 1.0 0.0 4.87 699 614 A 19 LEU H A 17 ASP HBy 1.0 0.0 4.87 700 615 A 19 LEU HG A 17 ASP HBx 1.0 0.0 5.09 701 615 A 19 LEU HG A 17 ASP HBy 1.0 0.0 5.09 702 616 A 19 LEU HDy% A 17 ASP HBx 1.0 0.0 4.56 703 616 A 19 LEU HDy% A 17 ASP HBy 1.0 0.0 4.56 704 617 A 19 LEU HDy% A 32 VAL HGy% 1.0 0.0 3.91 705 617 A 19 LEU HDy% A 32 VAL HGx% 1.0 0.0 3.91 706 618 A 27 GLU H A 27 GLU HBy 1.0 0.0 3.62 707 618 A 27 GLU H A 27 GLU HBx 1.0 0.0 3.62 708 619 A 31 GLY HAy A 32 VAL HGy% 1.0 0.0 3.69 709 619 A 31 GLY HAy A 32 VAL HGx% 1.0 0.0 3.69 710 620 A 31 GLY HAx A 32 VAL HGy% 1.0 0.0 4.34 711 620 A 31 GLY HAx A 32 VAL HGx% 1.0 0.0 4.34 712 621 A 32 VAL H A 32 VAL HGy% 1.0 0.0 3.88 713 621 A 32 VAL H A 32 VAL HGx% 1.0 0.0 3.88 stop_ save_