data_nef_c26047_2nd5 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 2ND5 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 20 PRO C 1 21 MLY N 1 21 MLY C 1 22 ARG N 1 37 GLY C 1 38 MLY N 1 38 MLY C 1 39 MLY N 1 39 MLY C 1 40 PHE N 1 47 ASN C 1 48 MLY N 1 48 MLY C 1 49 PRO N 1 50 PHE C 1 51 MLY N 1 51 MLY C 1 52 PHE N 1 55 GLY C 1 56 MLY N 1 56 MLY C 1 57 GLN N 1 76 ALA C 1 77 MLY N 1 77 MLY C 1 78 LEU N 1 108 LEU C 1 109 MLY N 1 109 MLY C 1 110 LEU 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 -3 GLY start . false 2 A -2 PRO middle . false 3 A -1 SER middle . . 4 A 0 MET middle . . 5 A 1 GLY middle . false 6 A 2 VAL middle . . 7 A 3 GLN middle . . 8 A 4 VAL middle . . 9 A 5 GLU middle . . 10 A 6 THR middle . . 11 A 7 ILE middle . . 12 A 8 SER middle . . 13 A 9 PRO middle . false 14 A 10 GLY middle . false 15 A 11 ASP middle . . 16 A 12 GLY middle . false 17 A 13 ARG middle . . 18 A 14 THR middle . . 19 A 15 PHE middle . . 20 A 16 PRO middle . false 21 A 17 MLY middle . . 22 A 18 ARG middle . . 23 A 19 GLY middle . false 24 A 20 GLN middle . . 25 A 21 THR middle . . 26 A 22 CYS middle . . 27 A 23 VAL middle . . 28 A 24 VAL middle . . 29 A 25 HIS middle . . 30 A 26 TYR middle . . 31 A 27 THR middle . . 32 A 28 GLY middle . false 33 A 29 MET middle . . 34 A 30 LEU middle . . 35 A 31 GLU middle . . 36 A 32 ASP middle . . 37 A 33 GLY middle . false 38 A 34 MLY middle . . 39 A 35 MLY middle . . 40 A 36 PHE middle . . 41 A 37 ASP middle . . 42 A 38 SER middle . . 43 A 39 SER middle . . 44 A 40 ARG middle . . 45 A 41 ASP middle . . 46 A 42 ARG middle . . 47 A 43 ASN middle . . 48 A 44 MLY middle . . 49 A 45 PRO middle . false 50 A 46 PHE middle . . 51 A 47 MLY middle . . 52 A 48 PHE middle . . 53 A 49 MET middle . . 54 A 50 LEU middle . . 55 A 51 GLY middle . false 56 A 52 MLY middle . . 57 A 53 GLN middle . . 58 A 54 GLU middle . . 59 A 55 VAL middle . . 60 A 56 ILE middle . . 61 A 57 ARG middle . . 62 A 58 GLY middle . false 63 A 59 TRP middle . . 64 A 60 GLU middle . . 65 A 61 GLU middle . . 66 A 62 GLY middle . false 67 A 63 VAL middle . . 68 A 64 ALA middle . . 69 A 65 GLN middle . . 70 A 66 MET middle . . 71 A 67 SER middle . . 72 A 68 VAL middle . . 73 A 69 GLY middle . false 74 A 70 GLN middle . . 75 A 71 ARG middle . . 76 A 72 ALA middle . . 77 A 73 MLY middle . . 78 A 74 LEU middle . . 79 A 75 THR middle . . 80 A 76 ILE middle . . 81 A 77 SER middle . . 82 A 78 PRO middle . false 83 A 79 ASP middle . . 84 A 80 TYR middle . . 85 A 81 ALA middle . . 86 A 82 TYR middle . . 87 A 83 GLY middle . false 88 A 84 ALA middle . . 89 A 85 THR middle . . 90 A 86 GLY middle . false 91 A 87 HIS middle . . 92 A 88 PRO middle . false 93 A 89 GLY middle . false 94 A 90 ILE middle . . 95 A 91 ILE middle . . 96 A 92 PRO middle . false 97 A 93 PRO middle . false 98 A 94 HIS middle . . 99 A 95 ALA middle . . 100 A 96 THR middle . . 101 A 97 LEU middle . . 102 A 98 VAL middle . . 103 A 99 PHE middle . . 104 A 100 ASP middle . . 105 A 101 VAL middle . . 106 A 102 GLU middle . . 107 A 103 LEU middle . . 108 A 104 LEU middle . . 109 A 105 MLY middle . . 110 A 106 LEU middle . . 111 A 107 GLU 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 -2 PRO HA H 1 4.485 0.03 A -2 PRO HBx H 1 1.935 0.03 A -2 PRO HBy H 1 2.28 0.03 A -2 PRO HDy H 1 3.543 0.03 A -2 PRO HDx H 1 3.516 0.03 A -2 PRO HG2 H 1 1.976 0.03 A -2 PRO HG3 H 1 1.976 0.03 A -2 PRO C C 13 176.57 0.3 A -2 PRO CA C 13 63.243 0.3 A -2 PRO CB C 13 32.29 0.3 A -2 PRO CD C 13 49.763 0.3 A -2 PRO CG C 13 27.031 0.3 A -1 SER H H 1 8.542 0.03 A -1 SER HA H 1 4.422 0.03 A -1 SER HBx H 1 3.818 0.03 A -1 SER HBy H 1 3.839 0.03 A -1 SER C C 13 174.384 0.3 A -1 SER CA C 13 58.23 0.3 A -1 SER CB C 13 63.838 0.3 A -1 SER N N 15 116.659 0.3 A 0 MET H H 1 8.356 0.03 A 0 MET HA H 1 4.441 0.03 A 0 MET HBy H 1 2.011 0.03 A 0 MET HBx H 1 1.925 0.03 A 0 MET HE% H 1 1.998 0.03 A 0 MET HGy H 1 2.54 0.03 A 0 MET HGx H 1 2.475 0.03 A 0 MET C C 13 176.182 0.3 A 0 MET CA C 13 55.346 0.3 A 0 MET CB C 13 33.248 0.3 A 0 MET CE C 13 17.013 0.3 A 0 MET CG C 13 31.913 0.3 A 0 MET N N 15 122.115 0.3 A 1 GLY H H 1 8.157 0.03 A 1 GLY HAy H 1 3.132 0.03 A 1 GLY HAx H 1 2.818 0.03 A 1 GLY C C 13 172.468 0.3 A 1 GLY CA C 13 45.585 0.3 A 1 GLY N N 15 110.724 0.3 A 2 VAL H H 1 7.471 0.03 A 2 VAL HA H 1 4.889 0.03 A 2 VAL HB H 1 1.845 0.03 A 2 VAL HGx% H 1 0.804 0.03 A 2 VAL HGy% H 1 0.741 0.03 A 2 VAL C C 13 173.396 0.3 A 2 VAL CA C 13 59.731 0.3 A 2 VAL CB C 13 34.6 0.3 A 2 VAL CGx C 13 19.137 0.3 A 2 VAL CGy C 13 22.411 0.3 A 2 VAL N N 15 117.765 0.3 A 3 GLN H H 1 8.514 0.03 A 3 GLN HA H 1 4.686 0.03 A 3 GLN HBy H 1 2.111 0.03 A 3 GLN HBx H 1 1.935 0.03 A 3 GLN HE2y H 1 7.428 0.03 A 3 GLN HE2x H 1 6.793 0.03 A 3 GLN HGx H 1 2.279 0.03 A 3 GLN HGy H 1 2.32 0.03 A 3 GLN C C 13 174.658 0.3 A 3 GLN CA C 13 54.379 0.3 A 3 GLN CB C 13 31.669 0.3 A 3 GLN CG C 13 34.032 0.3 A 3 GLN N N 15 126.962 0.3 A 3 GLN NE2 N 15 111.658 0.3 A 4 VAL H H 1 8.823 0.03 A 4 VAL HA H 1 4.52 0.03 A 4 VAL HB H 1 2.01 0.03 A 4 VAL HGx% H 1 0.781 0.03 A 4 VAL HGy% H 1 0.647 0.03 A 4 VAL C C 13 175.411 0.3 A 4 VAL CA C 13 61.993 0.3 A 4 VAL CB C 13 33.355 0.3 A 4 VAL CGy C 13 21.127 0.3 A 4 VAL CGx C 13 20.638 0.3 A 4 VAL N N 15 125.396 0.3 A 5 GLU H H 1 9.024 0.03 A 5 GLU HA H 1 4.782 0.03 A 5 GLU HBx H 1 1.953 0.03 A 5 GLU HBy H 1 2.098 0.03 A 5 GLU HGy H 1 2.168 0.03 A 5 GLU HGx H 1 2.102 0.03 A 5 GLU C C 13 175.83 0.3 A 5 GLU CA C 13 54.451 0.3 A 5 GLU CB C 13 32.818 0.3 A 5 GLU CG C 13 36.636 0.3 A 5 GLU N N 15 128.706 0.3 A 6 THR H H 1 9.173 0.03 A 6 THR HA H 1 3.898 0.03 A 6 THR HB H 1 4.079 0.03 A 6 THR HG2% H 1 1.116 0.03 A 6 THR C C 13 173.675 0.3 A 6 THR CA C 13 66.715 0.3 A 6 THR CB C 13 68.934 0.3 A 6 THR CG2 C 13 22.44 0.3 A 6 THR N N 15 124.408 0.3 A 7 ILE H H 1 9.329 0.03 A 7 ILE HA H 1 4.071 0.03 A 7 ILE HB H 1 1.29 0.03 A 7 ILE HD1% H 1 0.716 0.03 A 7 ILE HG1x H 1 1.05 0.03 A 7 ILE HG1y H 1 1.558 0.03 A 7 ILE HG2% H 1 0.856 0.03 A 7 ILE C C 13 175.768 0.3 A 7 ILE CA C 13 63.285 0.3 A 7 ILE CB C 13 39.659 0.3 A 7 ILE CD1 C 13 13.451 0.3 A 7 ILE CG1 C 13 27.912 0.3 A 7 ILE CG2 C 13 16.616 0.3 A 7 ILE N N 15 129.476 0.3 A 8 SER H H 1 8.3 0.03 A 8 SER HA H 1 4.987 0.03 A 8 SER HBx H 1 3.79 0.03 A 8 SER HBy H 1 3.868 0.03 A 8 SER C C 13 171.895 0.3 A 8 SER CA C 13 55.577 0.3 A 8 SER CB C 13 64.384 0.3 A 8 SER N N 15 114.774 0.3 A 9 PRO HA H 1 4.331 0.03 A 9 PRO HBx H 1 2.112 0.03 A 9 PRO HBy H 1 2.293 0.03 A 9 PRO HDy H 1 3.802 0.03 A 9 PRO HDx H 1 3.725 0.03 A 9 PRO HGy H 1 2.054 0.03 A 9 PRO HGx H 1 2.019 0.03 A 9 PRO C C 13 177.628 0.3 A 9 PRO CA C 13 63.646 0.3 A 9 PRO CB C 13 32.91 0.3 A 9 PRO CD C 13 51.127 0.3 A 9 PRO CG C 13 27.119 0.3 A 10 GLY H H 1 8.464 0.03 A 10 GLY HAx H 1 3.516 0.03 A 10 GLY HAy H 1 4.147 0.03 A 10 GLY C C 13 174.203 0.3 A 10 GLY CA C 13 44.176 0.3 A 10 GLY N N 15 107.91 0.3 A 11 ASP H H 1 8.049 0.03 A 11 ASP HA H 1 4.289 0.03 A 11 ASP HBy H 1 2.979 0.03 A 11 ASP HBx H 1 2.726 0.03 A 11 ASP C C 13 178.317 0.3 A 11 ASP CA C 13 54.629 0.3 A 11 ASP CB C 13 39.382 0.3 A 11 ASP N N 15 118.911 0.3 A 12 GLY H H 1 8.719 0.03 A 12 GLY HAx H 1 3.465 0.03 A 12 GLY HAy H 1 4.003 0.03 A 12 GLY C C 13 173.279 0.3 A 12 GLY CA C 13 46.049 0.3 A 12 GLY N N 15 108.262 0.3 A 13 ARG H H 1 8.539 0.03 A 13 ARG HA H 1 4.709 0.03 A 13 ARG HBy H 1 1.729 0.03 A 13 ARG HBx H 1 1.538 0.03 A 13 ARG HD2 H 1 3.152 0.03 A 13 ARG HD3 H 1 3.152 0.03 A 13 ARG HGx H 1 1.421 0.03 A 13 ARG HGy H 1 1.535 0.03 A 13 ARG C C 13 175.038 0.3 A 13 ARG CA C 13 56.794 0.3 A 13 ARG CB C 13 34.416 0.3 A 13 ARG CD C 13 43.359 0.3 A 13 ARG CG C 13 26.763 0.3 A 13 ARG N N 15 117.671 0.3 A 14 THR H H 1 10.197 0.03 A 14 THR HA H 1 4.205 0.03 A 14 THR HB H 1 4.211 0.03 A 14 THR HG2% H 1 1.094 0.03 A 14 THR C C 13 172.353 0.3 A 14 THR CA C 13 62.06 0.3 A 14 THR CB C 13 66.395 0.3 A 14 THR CG2 C 13 22.378 0.3 A 14 THR N N 15 125.323 0.3 A 15 PHE H H 1 8.086 0.03 A 15 PHE HA H 1 5.232 0.03 A 15 PHE HBy H 1 3.08 0.03 A 15 PHE HBx H 1 2.606 0.03 A 15 PHE HD1 H 1 7.041 0.03 A 15 PHE HD2 H 1 7.041 0.03 A 15 PHE HE1 H 1 7.078 0.03 A 15 PHE HE2 H 1 7.078 0.03 A 15 PHE HZ H 1 7.064 0.03 A 15 PHE C C 13 174.388 0.3 A 15 PHE CA C 13 54.495 0.3 A 15 PHE CB C 13 39.883 0.3 A 15 PHE CD1 C 13 132.754 0.3 A 15 PHE CD2 C 13 132.754 0.3 A 15 PHE CE1 C 13 130.847 0.3 A 15 PHE CE2 C 13 130.847 0.3 A 15 PHE CZ C 13 128.764 0.3 A 15 PHE N N 15 124.865 0.3 A 16 PRO HA H 1 4.348 0.03 A 16 PRO HBx H 1 1.646 0.03 A 16 PRO HBy H 1 2.012 0.03 A 16 PRO HDx H 1 4.02 0.03 A 16 PRO HDy H 1 4.29 0.03 A 16 PRO HGy H 1 2.114 0.03 A 16 PRO HGx H 1 1.789 0.03 A 16 PRO C C 13 175.449 0.3 A 16 PRO CA C 13 63.082 0.3 A 16 PRO CB C 13 33.459 0.3 A 16 PRO CD C 13 51.579 0.3 A 16 PRO CG C 13 28.435 0.3 A 17 MLY H H 1 8.485 0.03 A 17 MLY HA H 1 4.59 0.03 A 17 MLY HBy H 1 1.813 0.03 A 17 MLY HBx H 1 1.545 0.03 A 17 MLY HDx H 1 1.654 0.03 A 17 MLY HDy H 1 1.729 0.03 A 17 MLY HE2 H 1 3.125 0.03 A 17 MLY HE3 H 1 3.125 0.03 A 17 MLY HGy H 1 1.46 0.03 A 17 MLY HGx H 1 1.425 0.03 A 17 MLY HHx% H 1 2.86 0 A 17 MLY HHy% H 1 2.86 0 A 17 MLY C C 13 175.991 0.3 A 17 MLY CA C 13 53.547 0.3 A 17 MLY CB C 13 35.019 0.3 A 17 MLY CD C 13 26.182 0.3 A 17 MLY CE C 13 60.246 0.3 A 17 MLY CG C 13 24.534 0.3 A 17 MLY N N 15 121.273 0.3 A 18 ARG H H 1 8.489 0.03 A 18 ARG HA H 1 3.616 0.03 A 18 ARG HBy H 1 1.776 0.03 A 18 ARG HBx H 1 1.729 0.03 A 18 ARG HD2 H 1 3.215 0.03 A 18 ARG HD3 H 1 3.215 0.03 A 18 ARG HGy H 1 1.704 0.03 A 18 ARG HGx H 1 1.505 0.03 A 18 ARG C C 13 177.336 0.3 A 18 ARG CA C 13 58.855 0.3 A 18 ARG CB C 13 29.74 0.3 A 18 ARG CD C 13 43.372 0.3 A 18 ARG CG C 13 28.057 0.3 A 18 ARG N N 15 120.621 0.3 A 19 GLY H H 1 8.682 0.03 A 19 GLY HAy H 1 4.385 0.03 A 19 GLY HAx H 1 3.636 0.03 A 19 GLY C C 13 174.204 0.3 A 19 GLY CA C 13 44.943 0.3 A 19 GLY N N 15 112.901 0.3 A 20 GLN H H 1 8.103 0.03 A 20 GLN HA H 1 4.497 0.03 A 20 GLN HBx H 1 1.883 0.03 A 20 GLN HBy H 1 2.274 0.03 A 20 GLN HE2y H 1 7.583 0.03 A 20 GLN HE2x H 1 6.457 0.03 A 20 GLN HG2 H 1 2.287 0.03 A 20 GLN HG3 H 1 2.287 0.03 A 20 GLN C C 13 174.974 0.3 A 20 GLN CA C 13 56.335 0.3 A 20 GLN CB C 13 30.891 0.3 A 20 GLN CG C 13 35.834 0.3 A 20 GLN N N 15 118.698 0.3 A 20 GLN NE2 N 15 110.602 0.3 A 21 THR H H 1 8.729 0.03 A 21 THR HA H 1 4.457 0.03 A 21 THR HB H 1 3.881 0.03 A 21 THR HG2% H 1 0.805 0.03 A 21 THR C C 13 173.797 0.3 A 21 THR CA C 13 63.067 0.3 A 21 THR CB C 13 68.825 0.3 A 21 THR CG2 C 13 21.393 0.3 A 21 THR N N 15 119.715 0.3 A 22 CYS H H 1 8.826 0.03 A 22 CYS HA H 1 4.269 0.03 A 22 CYS HBy H 1 1.808 0.03 A 22 CYS HBx H 1 1.694 0.03 A 22 CYS C C 13 172.458 0.3 A 22 CYS CA C 13 58.011 0.3 A 22 CYS CB C 13 28.794 0.3 A 22 CYS N N 15 126.008 0.3 A 23 VAL H H 1 8.063 0.03 A 23 VAL HA H 1 4.595 0.03 A 23 VAL HB H 1 1.999 0.03 A 23 VAL HGx% H 1 0.726 0.03 A 23 VAL HGy% H 1 0.59 0.03 A 23 VAL C C 13 175.899 0.3 A 23 VAL CA C 13 61.411 0.3 A 23 VAL CB C 13 31.277 0.3 A 23 VAL CGy C 13 21.41 0.3 A 23 VAL CGx C 13 19.862 0.3 A 23 VAL N N 15 123.456 0.3 A 24 VAL H H 1 9.62 0.03 A 24 VAL HA H 1 5.852 0.03 A 24 VAL HB H 1 2.377 0.03 A 24 VAL HGx% H 1 0.902 0.03 A 24 VAL HGy% H 1 1.273 0.03 A 24 VAL C C 13 175.589 0.3 A 24 VAL CA C 13 57.962 0.3 A 24 VAL CB C 13 35.885 0.3 A 24 VAL CGy C 13 21.845 0.3 A 24 VAL CGx C 13 20.114 0.3 A 24 VAL N N 15 118.126 0.3 A 25 HIS H H 1 8.579 0.03 A 25 HIS HA H 1 5.865 0.03 A 25 HIS HBy H 1 2.853 0.03 A 25 HIS HBx H 1 2.714 0.03 A 25 HIS HD2 H 1 6.971 0.03 A 25 HIS HE1 H 1 7.09 0.03 A 25 HIS C C 13 176.663 0.3 A 25 HIS CA C 13 54.463 0.3 A 25 HIS CB C 13 35.454 0.3 A 25 HIS CD2 C 13 117.469 0.3 A 25 HIS CE1 C 13 136.97 0.3 A 25 HIS N N 15 118.824 0.3 A 26 TYR H H 1 9.937 0.03 A 26 TYR HA H 1 6.441 0.03 A 26 TYR HBx H 1 2.878 0.03 A 26 TYR HBy H 1 2.957 0.03 A 26 TYR HD1 H 1 6.955 0.03 A 26 TYR HD2 H 1 6.955 0.03 A 26 TYR HE1 H 1 6.553 0.03 A 26 TYR HE2 H 1 6.553 0.03 A 26 TYR C C 13 173.864 0.3 A 26 TYR CA C 13 55.934 0.3 A 26 TYR CB C 13 44.38 0.3 A 26 TYR CD1 C 13 132.845 0.3 A 26 TYR CD2 C 13 132.845 0.3 A 26 TYR CE1 C 13 117.888 0.3 A 26 TYR CE2 C 13 117.888 0.3 A 26 TYR N N 15 118.524 0.3 A 27 THR H H 1 8.716 0.03 A 27 THR HA H 1 4.482 0.03 A 27 THR HB H 1 3.968 0.03 A 27 THR HG2% H 1 1.2 0.03 A 27 THR C C 13 172.648 0.3 A 27 THR CA C 13 63.163 0.3 A 27 THR CB C 13 72.324 0.3 A 27 THR CG2 C 13 22.225 0.3 A 27 THR N N 15 117.098 0.3 A 28 GLY H H 1 9.316 0.03 A 28 GLY HAy H 1 3.987 0.03 A 28 GLY HAx H 1 2.154 0.03 A 28 GLY C C 13 171.083 0.3 A 28 GLY CA C 13 45.419 0.3 A 28 GLY N N 15 115.59 0.3 A 29 MET H H 1 9.192 0.03 A 29 MET HA H 1 5.251 0.03 A 29 MET HBy H 1 1.941 0.03 A 29 MET HBx H 1 1.857 0.03 A 29 MET HE% H 1 1.891 0.03 A 29 MET HGx H 1 2.019 0.03 A 29 MET HGy H 1 2.327 0.03 A 29 MET C C 13 175.508 0.3 A 29 MET CA C 13 54.221 0.3 A 29 MET CB C 13 37.913 0.3 A 29 MET CE C 13 16.836 0.3 A 29 MET CG C 13 31.86 0.3 A 29 MET N N 15 125.723 0.3 A 30 LEU H H 1 8.433 0.03 A 30 LEU HA H 1 4.772 0.03 A 30 LEU HBy H 1 2.205 0.03 A 30 LEU HBx H 1 1.898 0.03 A 30 LEU HDx% H 1 1.045 0.03 A 30 LEU HDy% H 1 0.841 0.03 A 30 LEU HG H 1 1.906 0.03 A 30 LEU C C 13 179.278 0.3 A 30 LEU CA C 13 54.169 0.3 A 30 LEU CB C 13 41.634 0.3 A 30 LEU CDy C 13 25.782 0.3 A 30 LEU CDx C 13 23.131 0.3 A 30 LEU CG C 13 27.914 0.3 A 30 LEU N N 15 119.15 0.3 A 31 GLU H H 1 9.11 0.03 A 31 GLU HA H 1 3.816 0.03 A 31 GLU HBx H 1 2.05 0.03 A 31 GLU HBy H 1 2.131 0.03 A 31 GLU HG2 H 1 2.252 0.03 A 31 GLU HG3 H 1 2.252 0.03 A 31 GLU C C 13 176.568 0.3 A 31 GLU CA C 13 59.788 0.3 A 31 GLU CB C 13 29.883 0.3 A 31 GLU CG C 13 36.796 0.3 A 31 GLU N N 15 120.636 0.3 A 32 ASP H H 1 7.826 0.03 A 32 ASP HA H 1 4.42 0.03 A 32 ASP HBy H 1 2.985 0.03 A 32 ASP HBx H 1 2.567 0.03 A 32 ASP C C 13 177.209 0.3 A 32 ASP CA C 13 53.556 0.3 A 32 ASP CB C 13 40.03 0.3 A 32 ASP N N 15 115.429 0.3 A 33 GLY H H 1 8.222 0.03 A 33 GLY HAy H 1 4.275 0.03 A 33 GLY HAx H 1 3.638 0.03 A 33 GLY C C 13 174.277 0.3 A 33 GLY CA C 13 44.891 0.3 A 33 GLY N N 15 108.489 0.3 A 34 MLY H H 1 7.861 0.03 A 34 MLY HA H 1 4.103 0.03 A 34 MLY HBy H 1 1.93 0.03 A 34 MLY HBx H 1 1.795 0.03 A 34 MLY HDx H 1 1.797 0.03 A 34 MLY HDy H 1 1.834 0.03 A 34 MLY HE2 H 1 3.114 0.03 A 34 MLY HE3 H 1 3.114 0.03 A 34 MLY HGx H 1 1.3 0.03 A 34 MLY HGy H 1 1.422 0.03 A 34 MLY HHx% H 1 2.86 0 A 34 MLY HHy% H 1 2.86 0 A 34 MLY C C 13 176.263 0.3 A 34 MLY CA C 13 57.243 0.3 A 34 MLY CB C 13 32.719 0.3 A 34 MLY CD C 13 26.516 0.3 A 34 MLY CE C 13 60.196 0.3 A 34 MLY CG C 13 25.043 0.3 A 34 MLY N N 15 121.723 0.3 A 35 MLY H H 1 8.574 0.03 A 35 MLY HA H 1 4.482 0.03 A 35 MLY HB2 H 1 1.667 0.03 A 35 MLY HB3 H 1 1.667 0.03 A 35 MLY HD2 H 1 1.715 0.03 A 35 MLY HD3 H 1 1.715 0.03 A 35 MLY HEx H 1 2.94 0.03 A 35 MLY HEy H 1 3.015 0.03 A 35 MLY HGx H 1 1.118 0.03 A 35 MLY HGy H 1 1.416 0.03 A 35 MLY HHx% H 1 2.742 0 A 35 MLY HHy% H 1 2.742 0 A 35 MLY C C 13 176.491 0.3 A 35 MLY CA C 13 56.574 0.3 A 35 MLY CB C 13 32.583 0.3 A 35 MLY CD C 13 26.532 0.3 A 35 MLY CE C 13 58.953 0.3 A 35 MLY CG C 13 24.561 0.3 A 35 MLY N N 15 127.611 0.3 A 36 PHE H H 1 8.495 0.03 A 36 PHE HA H 1 5.11 0.03 A 36 PHE HBy H 1 3.278 0.03 A 36 PHE HBx H 1 2.627 0.03 A 36 PHE HD1 H 1 6.951 0.03 A 36 PHE HD2 H 1 6.951 0.03 A 36 PHE HE1 H 1 7.232 0.03 A 36 PHE HE2 H 1 7.232 0.03 A 36 PHE HZ H 1 7.03 0.03 A 36 PHE C C 13 174.493 0.3 A 36 PHE CA C 13 56.251 0.3 A 36 PHE CB C 13 41.093 0.3 A 36 PHE CD1 C 13 132.72 0.3 A 36 PHE CD2 C 13 132.72 0.3 A 36 PHE CE1 C 13 131.212 0.3 A 36 PHE CE2 C 13 131.212 0.3 A 36 PHE CZ C 13 129.808 0.3 A 36 PHE N N 15 121.28 0.3 A 37 ASP H H 1 6.765 0.03 A 37 ASP HA H 1 4.827 0.03 A 37 ASP HBy H 1 3.345 0.03 A 37 ASP HBx H 1 2.151 0.03 A 37 ASP C C 13 174.807 0.3 A 37 ASP CA C 13 54.739 0.3 A 37 ASP CB C 13 44.386 0.3 A 37 ASP N N 15 118.871 0.3 A 38 SER H H 1 8.196 0.03 A 38 SER HA H 1 4.581 0.03 A 38 SER HBy H 1 3.979 0.03 A 38 SER HBx H 1 3.597 0.03 A 38 SER C C 13 174.967 0.3 A 38 SER CA C 13 57.033 0.3 A 38 SER CB C 13 64.862 0.3 A 38 SER N N 15 118.532 0.3 A 39 SER H H 1 7.872 0.03 A 39 SER HA H 1 4.131 0.03 A 39 SER HBy H 1 5.041 0.03 A 39 SER HBx H 1 3.777 0.03 A 39 SER C C 13 177.101 0.3 A 39 SER CA C 13 61.69 0.3 A 39 SER CB C 13 61.632 0.3 A 39 SER N N 15 124.92 0.3 A 40 ARG H H 1 7.617 0.03 A 40 ARG HA H 1 3.607 0.03 A 40 ARG HBy H 1 1.471 0.03 A 40 ARG HBx H 1 1.369 0.03 A 40 ARG HDx H 1 2.699 0.03 A 40 ARG HDy H 1 2.808 0.03 A 40 ARG HGy H 1 1.09 0.03 A 40 ARG HGx H 1 0.664 0.03 A 40 ARG C C 13 179.844 0.3 A 40 ARG CA C 13 58.859 0.3 A 40 ARG CB C 13 28.763 0.3 A 40 ARG CD C 13 42.898 0.3 A 40 ARG CG C 13 28.866 0.3 A 40 ARG N N 15 124.309 0.3 A 41 ASP H H 1 7.079 0.03 A 41 ASP HA H 1 4.314 0.03 A 41 ASP HBy H 1 2.785 0.03 A 41 ASP HBx H 1 2.658 0.03 A 41 ASP C C 13 176.75 0.3 A 41 ASP CA C 13 56.536 0.3 A 41 ASP CB C 13 40.095 0.3 A 41 ASP N N 15 118.394 0.3 A 42 ARG H H 1 6.859 0.03 A 42 ARG HA H 1 4.431 0.03 A 42 ARG HB2 H 1 1.999 0.03 A 42 ARG HB3 H 1 1.999 0.03 A 42 ARG HDy H 1 3.491 0.03 A 42 ARG HDx H 1 3.233 0.03 A 42 ARG HGx H 1 1.669 0.03 A 42 ARG HGy H 1 1.759 0.03 A 42 ARG C C 13 175.43 0.3 A 42 ARG CA C 13 56.099 0.3 A 42 ARG CB C 13 31.577 0.3 A 42 ARG CD C 13 43.743 0.3 A 42 ARG CG C 13 28.705 0.3 A 42 ARG N N 15 115.037 0.3 A 43 ASN H H 1 7.804 0.03 A 43 ASN HA H 1 4.408 0.03 A 43 ASN HBy H 1 3.197 0.03 A 43 ASN HBx H 1 2.68 0.03 A 43 ASN HD2x H 1 6.825 0.03 A 43 ASN HD2y H 1 7.567 0.03 A 43 ASN C C 13 174.108 0.3 A 43 ASN CA C 13 54.13 0.3 A 43 ASN CB C 13 37.675 0.3 A 43 ASN N N 15 115.52 0.3 A 43 ASN ND2 N 15 112.317 0.3 A 44 MLY H H 1 7.394 0.03 A 44 MLY HA H 1 4.913 0.03 A 44 MLY HBy H 1 1.81 0.03 A 44 MLY HBx H 1 1.707 0.03 A 44 MLY HDx H 1 1.794 0.03 A 44 MLY HDy H 1 1.832 0.03 A 44 MLY HE2 H 1 3.186 0.03 A 44 MLY HE3 H 1 3.186 0.03 A 44 MLY HG2 H 1 1.471 0.03 A 44 MLY HG3 H 1 1.471 0.03 A 44 MLY HHx% H 1 2.924 0 A 44 MLY HHy% H 1 2.924 0 A 44 MLY C C 13 172.366 0.3 A 44 MLY CA C 13 53.513 0.3 A 44 MLY CB C 13 35.501 0.3 A 44 MLY CD C 13 26.594 0.3 A 44 MLY CE C 13 60.202 0.3 A 44 MLY CG C 13 24.128 0.3 A 44 MLY N N 15 115.449 0.3 A 45 PRO HA H 1 3.914 0.03 A 45 PRO HB2 H 1 1.396 0.03 A 45 PRO HB3 H 1 1.396 0.03 A 45 PRO HDy H 1 3.637 0.03 A 45 PRO HDx H 1 3.586 0.03 A 45 PRO HGy H 1 1.709 0.03 A 45 PRO HGx H 1 1.264 0.03 A 45 PRO C C 13 174.205 0.3 A 45 PRO CA C 13 63.03 0.3 A 45 PRO CB C 13 32.38 0.3 A 45 PRO CD C 13 50.721 0.3 A 45 PRO CG C 13 26.636 0.3 A 46 PHE H H 1 9.177 0.03 A 46 PHE HA H 1 4.946 0.03 A 46 PHE HBy H 1 3.6 0.03 A 46 PHE HBx H 1 3.193 0.03 A 46 PHE HD1 H 1 7.338 0.03 A 46 PHE HD2 H 1 7.338 0.03 A 46 PHE HE1 H 1 7.103 0.03 A 46 PHE HE2 H 1 7.103 0.03 A 46 PHE HZ H 1 7.131 0.03 A 46 PHE C C 13 172.978 0.3 A 46 PHE CA C 13 56.691 0.3 A 46 PHE CB C 13 43.264 0.3 A 46 PHE CD1 C 13 131.455 0.3 A 46 PHE CD2 C 13 131.455 0.3 A 46 PHE CE1 C 13 131.99 0.3 A 46 PHE CE2 C 13 131.99 0.3 A 46 PHE CZ C 13 130.168 0.3 A 46 PHE N N 15 124.351 0.3 A 47 MLY H H 1 7.406 0.03 A 47 MLY HA H 1 5.58 0.03 A 47 MLY HBy H 1 1.454 0.03 A 47 MLY HBx H 1 1.235 0.03 A 47 MLY HDy H 1 1.596 0.03 A 47 MLY HDx H 1 1.393 0.03 A 47 MLY HEx H 1 2.651 0.03 A 47 MLY HEy H 1 2.884 0.03 A 47 MLY HGy H 1 1.199 0.03 A 47 MLY HGx H 1 1.027 0.03 A 47 MLY HHx% H 1 2.717 0 A 47 MLY HHy% H 1 2.717 0 A 47 MLY C C 13 174.626 0.3 A 47 MLY CA C 13 54.079 0.3 A 47 MLY CB C 13 35.515 0.3 A 47 MLY CD C 13 26.813 0.3 A 47 MLY CE C 13 59.574 0.3 A 47 MLY CG C 13 25.324 0.3 A 47 MLY N N 15 124.234 0.3 A 48 PHE H H 1 7.968 0.03 A 48 PHE HA H 1 4.704 0.03 A 48 PHE HBy H 1 2.88 0.03 A 48 PHE HBx H 1 2.781 0.03 A 48 PHE HD1 H 1 6.918 0.03 A 48 PHE HD2 H 1 6.918 0.03 A 48 PHE HE1 H 1 6.982 0.03 A 48 PHE HE2 H 1 6.982 0.03 A 48 PHE HZ H 1 6.848 0.03 A 48 PHE CA C 13 55.787 0.3 A 48 PHE CB C 13 41.505 0.3 A 48 PHE CD1 C 13 132.955 0.3 A 48 PHE CD2 C 13 132.955 0.3 A 48 PHE CE1 C 13 129.938 0.3 A 48 PHE CE2 C 13 129.938 0.3 A 48 PHE CZ C 13 127.797 0.3 A 48 PHE N N 15 115.409 0.3 A 49 MET H H 1 9.261 0.03 A 49 MET HA H 1 4.681 0.03 A 49 MET HBx H 1 1.807 0.03 A 49 MET HBy H 1 1.854 0.03 A 49 MET HE% H 1 2.072 0.03 A 49 MET HG2 H 1 2.073 0.03 A 49 MET HG3 H 1 2.073 0.03 A 49 MET C C 13 176.492 0.3 A 49 MET CA C 13 54.487 0.3 A 49 MET CB C 13 33.755 0.3 A 49 MET CE C 13 16.949 0.3 A 49 MET CG C 13 31.452 0.3 A 49 MET N N 15 123.105 0.3 A 50 LEU H H 1 8.633 0.03 A 50 LEU HA H 1 4.21 0.03 A 50 LEU HBy H 1 1.946 0.03 A 50 LEU HBx H 1 1.366 0.03 A 50 LEU HDx% H 1 1.035 0.03 A 50 LEU HDy% H 1 0.717 0.03 A 50 LEU HG H 1 1.599 0.03 A 50 LEU C C 13 177.825 0.3 A 50 LEU CA C 13 57.249 0.3 A 50 LEU CB C 13 41.752 0.3 A 50 LEU CDx C 13 24.962 0.3 A 50 LEU CDy C 13 25.276 0.3 A 50 LEU CG C 13 27.357 0.3 A 50 LEU N N 15 131.689 0.3 A 51 GLY H H 1 10.027 0.03 A 51 GLY HAy H 1 4.327 0.03 A 51 GLY HAx H 1 3.832 0.03 A 51 GLY C C 13 174.433 0.3 A 51 GLY CA C 13 45.442 0.3 A 51 GLY N N 15 118.586 0.3 A 52 MLY H H 1 7.575 0.03 A 52 MLY HA H 1 4.443 0.03 A 52 MLY HBx H 1 1.716 0.03 A 52 MLY HBy H 1 2.112 0.03 A 52 MLY HDy H 1 1.783 0.03 A 52 MLY HDx H 1 1.707 0.03 A 52 MLY HE2 H 1 3.08 0.03 A 52 MLY HE3 H 1 3.08 0.03 A 52 MLY HGx H 1 1.333 0.03 A 52 MLY HGy H 1 1.543 0.03 A 52 MLY HHx% H 1 2.85 0 A 52 MLY HHy% H 1 2.85 0 A 52 MLY C C 13 175.32 0.3 A 52 MLY CA C 13 54.812 0.3 A 52 MLY CB C 13 33.529 0.3 A 52 MLY CD C 13 25.982 0.3 A 52 MLY CE C 13 60.168 0.3 A 52 MLY CG C 13 25.346 0.3 A 52 MLY N N 15 119.376 0.3 A 53 GLN H H 1 9.055 0.03 A 53 GLN HA H 1 3.953 0.03 A 53 GLN HB2 H 1 2.214 0.03 A 53 GLN HB3 H 1 2.214 0.03 A 53 GLN HE2y H 1 7.519 0.03 A 53 GLN HE2x H 1 6.631 0.03 A 53 GLN HGx H 1 2.165 0.03 A 53 GLN HGy H 1 2.262 0.03 A 53 GLN C C 13 176.013 0.3 A 53 GLN CA C 13 57.182 0.3 A 53 GLN CB C 13 26.158 0.3 A 53 GLN CG C 13 34.75 0.3 A 53 GLN N N 15 116.921 0.3 A 53 GLN NE2 N 15 111.926 0.3 A 54 GLU H H 1 9.389 0.03 A 54 GLU HA H 1 4.22 0.03 A 54 GLU HBy H 1 2.136 0.03 A 54 GLU HBx H 1 2.062 0.03 A 54 GLU HG2 H 1 2.266 0.03 A 54 GLU HG3 H 1 2.266 0.03 A 54 GLU C C 13 176.221 0.3 A 54 GLU CA C 13 57.447 0.3 A 54 GLU CB C 13 31.2 0.3 A 54 GLU CG C 13 37.36 0.3 A 54 GLU N N 15 117.417 0.3 A 55 VAL H H 1 6.82 0.03 A 55 VAL HA H 1 4.314 0.03 A 55 VAL HB H 1 1.451 0.03 A 55 VAL HGx% H 1 0.058 0.03 A 55 VAL HGy% H 1 0.063 0.03 A 55 VAL C C 13 175.226 0.3 A 55 VAL CA C 13 57.461 0.3 A 55 VAL CB C 13 35.557 0.3 A 55 VAL CGy C 13 21.569 0.3 A 55 VAL CGx C 13 17.77 0.3 A 55 VAL N N 15 108.426 0.3 A 56 ILE H H 1 7.404 0.03 A 56 ILE HA H 1 3.853 0.03 A 56 ILE HB H 1 2.158 0.03 A 56 ILE HD1% H 1 0.75 0.03 A 56 ILE HG1y H 1 1.18 0.03 A 56 ILE HG1x H 1 0.864 0.03 A 56 ILE HG2% H 1 0.244 0.03 A 56 ILE C C 13 177.344 0.3 A 56 ILE CA C 13 61.975 0.3 A 56 ILE CB C 13 38.342 0.3 A 56 ILE CD1 C 13 14.419 0.3 A 56 ILE CG1 C 13 25.233 0.3 A 56 ILE CG2 C 13 17.521 0.3 A 56 ILE N N 15 111.618 0.3 A 57 ARG H H 1 8.631 0.03 A 57 ARG HA H 1 4.063 0.03 A 57 ARG HBy H 1 1.808 0.03 A 57 ARG HBx H 1 1.51 0.03 A 57 ARG HDx H 1 2.436 0.03 A 57 ARG HDy H 1 2.907 0.03 A 57 ARG HGx H 1 1.287 0.03 A 57 ARG HGy H 1 1.648 0.03 A 57 ARG C C 13 179.428 0.3 A 57 ARG CA C 13 59.838 0.3 A 57 ARG CB C 13 30.63 0.3 A 57 ARG CD C 13 43.512 0.3 A 57 ARG CG C 13 26.933 0.3 A 57 ARG N N 15 124.436 0.3 A 58 GLY H H 1 9.688 0.03 A 58 GLY HAy H 1 3.904 0.03 A 58 GLY HAx H 1 3.784 0.03 A 58 GLY C C 13 175.21 0.3 A 58 GLY CA C 13 47.621 0.3 A 58 GLY N N 15 107.151 0.3 A 59 TRP H H 1 7.534 0.03 A 59 TRP HA H 1 4.227 0.03 A 59 TRP HB2 H 1 2.746 0.03 A 59 TRP HB3 H 1 2.746 0.03 A 59 TRP HD1 H 1 6.406 0.03 A 59 TRP HE1 H 1 5.908 0.03 A 59 TRP HE3 H 1 6.63 0.03 A 59 TRP HH2 H 1 5.659 0.03 A 59 TRP HZ2 H 1 6.207 0.03 A 59 TRP HZ3 H 1 6.636 0.03 A 59 TRP C C 13 177.529 0.3 A 59 TRP CA C 13 59.681 0.3 A 59 TRP CB C 13 29.092 0.3 A 59 TRP CD1 C 13 121.201 0.3 A 59 TRP CE3 C 13 120.214 0.3 A 59 TRP CH2 C 13 124.241 0.3 A 59 TRP CZ2 C 13 111.909 0.3 A 59 TRP CZ3 C 13 121.347 0.3 A 59 TRP N N 15 119.956 0.3 A 59 TRP NE1 N 15 117.754 0.3 A 60 GLU H H 1 7.275 0.03 A 60 GLU HA H 1 3.89 0.03 A 60 GLU HBy H 1 2.194 0.03 A 60 GLU HBx H 1 2.065 0.03 A 60 GLU HGx H 1 2.052 0.03 A 60 GLU HGy H 1 2.35 0.03 A 60 GLU C C 13 178.377 0.3 A 60 GLU CA C 13 61.081 0.3 A 60 GLU CB C 13 29.417 0.3 A 60 GLU CG C 13 37.533 0.3 A 60 GLU N N 15 118.374 0.3 A 61 GLU H H 1 8.39 0.03 A 61 GLU HA H 1 4.149 0.03 A 61 GLU HBy H 1 2.129 0.03 A 61 GLU HBx H 1 1.889 0.03 A 61 GLU HGx H 1 2.266 0.03 A 61 GLU HGy H 1 2.413 0.03 A 61 GLU C C 13 179.32 0.3 A 61 GLU CA C 13 58.633 0.3 A 61 GLU CB C 13 29.872 0.3 A 61 GLU CG C 13 36.732 0.3 A 61 GLU N N 15 113.896 0.3 A 62 GLY H H 1 7.932 0.03 A 62 GLY HAy H 1 3.7 0.03 A 62 GLY HAx H 1 3.593 0.03 A 62 GLY C C 13 174.585 0.3 A 62 GLY CA C 13 47.194 0.3 A 62 GLY N N 15 106.899 0.3 A 63 VAL H H 1 8.688 0.03 A 63 VAL HA H 1 3.927 0.03 A 63 VAL HB H 1 2.267 0.03 A 63 VAL HGx% H 1 1.079 0.03 A 63 VAL HGy% H 1 1.018 0.03 A 63 VAL C C 13 177.334 0.3 A 63 VAL CA C 13 65.419 0.3 A 63 VAL CB C 13 31.126 0.3 A 63 VAL CGx C 13 22.686 0.3 A 63 VAL CGy C 13 23.856 0.3 A 63 VAL N N 15 120.73 0.3 A 64 ALA H H 1 7.16 0.03 A 64 ALA HA H 1 4.014 0.03 A 64 ALA HB% H 1 1.562 0.03 A 64 ALA C C 13 177.759 0.3 A 64 ALA CA C 13 54.526 0.3 A 64 ALA CB C 13 18.715 0.3 A 64 ALA N N 15 117.132 0.3 A 65 GLN H H 1 7.143 0.03 A 65 GLN HA H 1 4.359 0.03 A 65 GLN HBy H 1 2.385 0.03 A 65 GLN HBx H 1 2.121 0.03 A 65 GLN HE2y H 1 7.171 0.03 A 65 GLN HE2x H 1 7.059 0.03 A 65 GLN HGx H 1 2.375 0.03 A 65 GLN HGy H 1 2.534 0.03 A 65 GLN C C 13 175.568 0.3 A 65 GLN CA C 13 55.459 0.3 A 65 GLN CB C 13 30.028 0.3 A 65 GLN CG C 13 34.384 0.3 A 65 GLN N N 15 112.231 0.3 A 65 GLN NE2 N 15 111.207 0.3 A 66 MET H H 1 7.965 0.03 A 66 MET HA H 1 4.788 0.03 A 66 MET HBy H 1 2.145 0.03 A 66 MET HBx H 1 1.999 0.03 A 66 MET HE% H 1 1.872 0.03 A 66 MET HGx H 1 1.934 0.03 A 66 MET HGy H 1 2.738 0.03 A 66 MET C C 13 172.467 0.3 A 66 MET CA C 13 55.118 0.3 A 66 MET CB C 13 35.667 0.3 A 66 MET CE C 13 17.565 0.3 A 66 MET CG C 13 31.343 0.3 A 66 MET N N 15 122.412 0.3 A 67 SER H H 1 8.182 0.03 A 67 SER HA H 1 4.833 0.03 A 67 SER HBy H 1 3.735 0.03 A 67 SER HBx H 1 2.368 0.03 A 67 SER C C 13 176.275 0.3 A 67 SER CA C 13 54.465 0.3 A 67 SER CB C 13 65.982 0.3 A 67 SER N N 15 107.611 0.3 A 68 VAL H H 1 7.65 0.03 A 68 VAL HA H 1 3.105 0.03 A 68 VAL HB H 1 1.798 0.03 A 68 VAL HGx% H 1 0.866 0.03 A 68 VAL HGy% H 1 0.83 0.03 A 68 VAL C C 13 176.39 0.3 A 68 VAL CA C 13 67.074 0.3 A 68 VAL CB C 13 31.503 0.3 A 68 VAL CGy C 13 23.132 0.3 A 68 VAL CGx C 13 21.535 0.3 A 68 VAL N N 15 119.266 0.3 A 69 GLY H H 1 8.855 0.03 A 69 GLY HAy H 1 4.417 0.03 A 69 GLY HAx H 1 3.819 0.03 A 69 GLY C C 13 173.934 0.3 A 69 GLY CA C 13 44.407 0.3 A 69 GLY N N 15 116.9 0.3 A 70 GLN H H 1 8.607 0.03 A 70 GLN HA H 1 4.035 0.03 A 70 GLN HB2 H 1 2.174 0.03 A 70 GLN HB3 H 1 2.174 0.03 A 70 GLN HE2y H 1 7.587 0.03 A 70 GLN HE2x H 1 6.49 0.03 A 70 GLN HGx H 1 2.179 0.03 A 70 GLN HGy H 1 2.966 0.03 A 70 GLN C C 13 173.663 0.3 A 70 GLN CA C 13 55.788 0.3 A 70 GLN CB C 13 30.551 0.3 A 70 GLN CG C 13 33.52 0.3 A 70 GLN N N 15 123.21 0.3 A 70 GLN NE2 N 15 108.578 0.3 A 71 ARG H H 1 8.802 0.03 A 71 ARG HA H 1 5.66 0.03 A 71 ARG HBy H 1 1.855 0.03 A 71 ARG HBx H 1 1.562 0.03 A 71 ARG HDx H 1 2.905 0.03 A 71 ARG HDy H 1 2.98 0.03 A 71 ARG HE H 1 8.962 0.03 A 71 ARG HGx H 1 1.402 0.03 A 71 ARG HGy H 1 1.558 0.03 A 71 ARG C C 13 175.582 0.3 A 71 ARG CA C 13 53.936 0.3 A 71 ARG CB C 13 33.739 0.3 A 71 ARG CD C 13 44.369 0.3 A 71 ARG CG C 13 27.222 0.3 A 71 ARG N N 15 124.586 0.3 A 71 ARG NE N 15 113.932 0.3 A 72 ALA H H 1 9.93 0.03 A 72 ALA HA H 1 5.113 0.03 A 72 ALA HB% H 1 1.285 0.03 A 72 ALA C C 13 173.133 0.3 A 72 ALA CA C 13 51.12 0.3 A 72 ALA CB C 13 23.583 0.3 A 72 ALA N N 15 130.97 0.3 A 73 MLY H H 1 9.224 0.03 A 73 MLY HA H 1 5.238 0.03 A 73 MLY HBy H 1 1.779 0.03 A 73 MLY HBx H 1 1.633 0.03 A 73 MLY HDy H 1 1.662 0.03 A 73 MLY HDx H 1 1.622 0.03 A 73 MLY HE2 H 1 2.89 0.03 A 73 MLY HE3 H 1 2.89 0.03 A 73 MLY HGx H 1 1.142 0.03 A 73 MLY HGy H 1 1.282 0.03 A 73 MLY HHx% H 1 2.803 0 A 73 MLY HHy% H 1 2.803 0 A 73 MLY C C 13 175.915 0.3 A 73 MLY CA C 13 54.624 0.3 A 73 MLY CB C 13 34.467 0.3 A 73 MLY CD C 13 26.879 0.3 A 73 MLY CE C 13 59.739 0.3 A 73 MLY CG C 13 25.182 0.3 A 73 MLY N N 15 120.725 0.3 A 74 LEU H H 1 9.981 0.03 A 74 LEU HA H 1 5.476 0.03 A 74 LEU HBy H 1 1.799 0.03 A 74 LEU HBx H 1 1.309 0.03 A 74 LEU HDx% H 1 0.72 0.03 A 74 LEU HDy% H 1 0.695 0.03 A 74 LEU HG H 1 1.644 0.03 A 74 LEU C C 13 176.156 0.3 A 74 LEU CA C 13 53.268 0.3 A 74 LEU CB C 13 43.748 0.3 A 74 LEU CDx C 13 25.569 0.3 A 74 LEU CDy C 13 25.588 0.3 A 74 LEU CG C 13 28.422 0.3 A 74 LEU N N 15 130.224 0.3 A 75 THR H H 1 8.884 0.03 A 75 THR HA H 1 5.052 0.03 A 75 THR HB H 1 3.978 0.03 A 75 THR HG2% H 1 1.065 0.03 A 75 THR C C 13 175.079 0.3 A 75 THR CA C 13 63.355 0.3 A 75 THR CB C 13 68.79 0.3 A 75 THR CG2 C 13 20.999 0.3 A 75 THR N N 15 121.856 0.3 A 76 ILE H H 1 9.864 0.03 A 76 ILE HA H 1 4.68 0.03 A 76 ILE HB H 1 1.824 0.03 A 76 ILE HD1% H 1 0.791 0.03 A 76 ILE HG1y H 1 1.706 0.03 A 76 ILE HG1x H 1 0.85 0.03 A 76 ILE HG2% H 1 1.14 0.03 A 76 ILE C C 13 173.943 0.3 A 76 ILE CA C 13 60.898 0.3 A 76 ILE CB C 13 41.236 0.3 A 76 ILE CD1 C 13 14.772 0.3 A 76 ILE CG1 C 13 27.818 0.3 A 76 ILE CG2 C 13 20.585 0.3 A 76 ILE N N 15 129.859 0.3 A 77 SER H H 1 8.612 0.03 A 77 SER HA H 1 4.732 0.03 A 77 SER HBx H 1 4.032 0.03 A 77 SER HBy H 1 4.198 0.03 A 77 SER C C 13 173.647 0.3 A 77 SER CA C 13 57.726 0.3 A 77 SER CB C 13 62.763 0.3 A 77 SER N N 15 123.243 0.3 A 78 PRO HA H 1 4.488 0.03 A 78 PRO HBy H 1 2.109 0.03 A 78 PRO HBx H 1 2.07 0.03 A 78 PRO HDx H 1 3.806 0.03 A 78 PRO HDy H 1 3.846 0.03 A 78 PRO HGx H 1 1.761 0.03 A 78 PRO HGy H 1 2.025 0.03 A 78 PRO C C 13 180.133 0.3 A 78 PRO CA C 13 65.828 0.3 A 78 PRO CB C 13 30.995 0.3 A 78 PRO CD C 13 49.986 0.3 A 78 PRO CG C 13 27.748 0.3 A 79 ASP H H 1 8.799 0.03 A 79 ASP HA H 1 4.39 0.03 A 79 ASP HBy H 1 2.66 0.03 A 79 ASP HBx H 1 2.579 0.03 A 79 ASP C C 13 176.81 0.3 A 79 ASP CA C 13 56.159 0.3 A 79 ASP CB C 13 39.361 0.3 A 79 ASP N N 15 115.934 0.3 A 80 TYR H H 1 8.116 0.03 A 80 TYR HA H 1 4.377 0.03 A 80 TYR HBy H 1 2.941 0.03 A 80 TYR HBx H 1 2.781 0.03 A 80 TYR HD1 H 1 6.704 0.03 A 80 TYR HD2 H 1 6.704 0.03 A 80 TYR HE1 H 1 6.8 0.03 A 80 TYR HE2 H 1 6.8 0.03 A 80 TYR C C 13 173.332 0.3 A 80 TYR CA C 13 57.597 0.3 A 80 TYR CB C 13 38.903 0.3 A 80 TYR CD1 C 13 131.302 0.3 A 80 TYR CD2 C 13 131.302 0.3 A 80 TYR CE1 C 13 118.564 0.3 A 80 TYR CE2 C 13 118.564 0.3 A 80 TYR N N 15 120.969 0.3 A 81 ALA H H 1 7.801 0.03 A 81 ALA HA H 1 4.421 0.03 A 81 ALA HB% H 1 1.443 0.03 A 81 ALA C C 13 175.888 0.3 A 81 ALA CA C 13 51.701 0.3 A 81 ALA CB C 13 19.334 0.3 A 81 ALA N N 15 125.669 0.3 A 82 TYR H H 1 9.321 0.03 A 82 TYR HA H 1 4.566 0.03 A 82 TYR HBy H 1 3.15 0.03 A 82 TYR HBx H 1 2.69 0.03 A 82 TYR HD1 H 1 7.072 0.03 A 82 TYR HD2 H 1 7.072 0.03 A 82 TYR HE1 H 1 6.534 0.03 A 82 TYR HE2 H 1 6.534 0.03 A 82 TYR C C 13 176.653 0.3 A 82 TYR CA C 13 58.865 0.3 A 82 TYR CB C 13 37.995 0.3 A 82 TYR CD1 C 13 132.93 0.3 A 82 TYR CD2 C 13 132.93 0.3 A 82 TYR CE1 C 13 118.015 0.3 A 82 TYR CE2 C 13 118.015 0.3 A 82 TYR N N 15 122.08 0.3 A 83 GLY H H 1 8.535 0.03 A 83 GLY HAy H 1 3.898 0.03 A 83 GLY HAx H 1 3.7 0.03 A 83 GLY C C 13 175.214 0.3 A 83 GLY CA C 13 46.827 0.3 A 83 GLY N N 15 108.394 0.3 A 84 ALA HA H 1 3.273 0.03 A 84 ALA HB% H 1 1.418 0.03 A 84 ALA C C 13 177.536 0.3 A 84 ALA CA C 13 53.514 0.3 A 84 ALA CB C 13 19.318 0.3 A 85 THR H H 1 7.927 0.03 A 85 THR HA H 1 4.038 0.03 A 85 THR HB H 1 4.241 0.03 A 85 THR HG2% H 1 1.225 0.03 A 85 THR C C 13 177.149 0.3 A 85 THR CA C 13 64.04 0.3 A 85 THR CB C 13 69.466 0.3 A 85 THR CG2 C 13 21.845 0.3 A 85 THR N N 15 109.341 0.3 A 86 GLY H H 1 7.341 0.03 A 86 GLY HAy H 1 3.7 0.03 A 86 GLY HAx H 1 3.476 0.03 A 86 GLY C C 13 171.567 0.3 A 86 GLY CA C 13 45.151 0.3 A 86 GLY N N 15 106.961 0.3 A 87 HIS H H 1 8.799 0.03 A 87 HIS HA H 1 4.967 0.03 A 87 HIS HBy H 1 2.516 0.03 A 87 HIS HBx H 1 1.796 0.03 A 87 HIS HD2 H 1 6.53 0.03 A 87 HIS C C 13 172.75 0.3 A 87 HIS CA C 13 53.029 0.3 A 87 HIS CB C 13 32.349 0.3 A 87 HIS CD2 C 13 118.523 0.3 A 87 HIS N N 15 121.87 0.3 A 88 PRO HA H 1 4.132 0.03 A 88 PRO HBx H 1 1.83 0.03 A 88 PRO HBy H 1 2.171 0.03 A 88 PRO HDy H 1 3.513 0.03 A 88 PRO HDx H 1 3.255 0.03 A 88 PRO HGy H 1 1.969 0.03 A 88 PRO HGx H 1 1.857 0.03 A 88 PRO C C 13 176.585 0.3 A 88 PRO CA C 13 65.123 0.3 A 88 PRO CB C 13 31.851 0.3 A 88 PRO CD C 13 51.079 0.3 A 88 PRO CG C 13 26.745 0.3 A 89 GLY H H 1 8.571 0.03 A 89 GLY HAy H 1 4.227 0.03 A 89 GLY HAx H 1 3.599 0.03 A 89 GLY C C 13 174.03 0.3 A 89 GLY CA C 13 45.251 0.3 A 89 GLY N N 15 113.445 0.3 A 90 ILE H H 1 8.103 0.03 A 90 ILE HA H 1 4.252 0.03 A 90 ILE HB H 1 1.399 0.03 A 90 ILE HD1% H 1 0.651 0.03 A 90 ILE HG1y H 1 1.289 0.03 A 90 ILE HG1x H 1 0.947 0.03 A 90 ILE HG2% H 1 0.838 0.03 A 90 ILE C C 13 174.403 0.3 A 90 ILE CA C 13 62.855 0.3 A 90 ILE CB C 13 41.565 0.3 A 90 ILE CD1 C 13 12.56 0.3 A 90 ILE CG1 C 13 27.115 0.3 A 90 ILE CG2 C 13 17.627 0.3 A 90 ILE N N 15 118.128 0.3 A 91 ILE H H 1 8.241 0.03 A 91 ILE HA H 1 4.506 0.03 A 91 ILE HB H 1 1.288 0.03 A 91 ILE HD1% H 1 -0.187 0.03 A 91 ILE HG1y H 1 0.726 0.03 A 91 ILE HG1x H 1 0.349 0.03 A 91 ILE HG2% H 1 0.869 0.03 A 91 ILE C C 13 174.345 0.3 A 91 ILE CA C 13 56.335 0.3 A 91 ILE CB C 13 40.719 0.3 A 91 ILE CD1 C 13 11.665 0.3 A 91 ILE CG1 C 13 26.214 0.3 A 91 ILE CG2 C 13 17.719 0.3 A 91 ILE N N 15 119.444 0.3 A 92 PRO HA H 1 4.717 0.03 A 92 PRO HBy H 1 2.368 0.03 A 92 PRO HBx H 1 1.923 0.03 A 92 PRO HDy H 1 3.751 0.03 A 92 PRO HDx H 1 3.365 0.03 A 92 PRO HG2 H 1 1.943 0.03 A 92 PRO HG3 H 1 1.943 0.03 A 92 PRO CB C 13 31.011 0.3 A 92 PRO CD C 13 51.734 0.3 A 92 PRO CG C 13 26.675 0.3 A 93 PRO HA H 1 3.617 0.03 A 93 PRO HBy H 1 2.21 0.03 A 93 PRO HBx H 1 1.553 0.03 A 93 PRO HDx H 1 3.455 0.03 A 93 PRO HDy H 1 3.76 0.03 A 93 PRO HGy H 1 2.019 0.03 A 93 PRO HGx H 1 1.706 0.03 A 93 PRO C C 13 175.714 0.3 A 93 PRO CA C 13 63.618 0.3 A 93 PRO CB C 13 33.171 0.3 A 93 PRO CD C 13 50.829 0.3 A 93 PRO CG C 13 28.045 0.3 A 94 HIS H H 1 7.934 0.03 A 94 HIS HA H 1 3.804 0.03 A 94 HIS HBy H 1 3.21 0.03 A 94 HIS HBx H 1 3.167 0.03 A 94 HIS HD2 H 1 6.917 0.03 A 94 HIS HE1 H 1 7.811 0.03 A 94 HIS C C 13 173.821 0.3 A 94 HIS CA C 13 57.145 0.3 A 94 HIS CB C 13 27.977 0.3 A 94 HIS CD2 C 13 119.944 0.3 A 94 HIS CE1 C 13 138.496 0.3 A 94 HIS N N 15 115.851 0.3 A 95 ALA H H 1 7.706 0.03 A 95 ALA HA H 1 4.459 0.03 A 95 ALA HB% H 1 1.259 0.03 A 95 ALA C C 13 177.246 0.3 A 95 ALA CA C 13 52.728 0.3 A 95 ALA CB C 13 20.567 0.3 A 95 ALA N N 15 122.072 0.3 A 96 THR H H 1 8.448 0.03 A 96 THR HA H 1 4.65 0.03 A 96 THR HB H 1 3.948 0.03 A 96 THR HG2% H 1 1.035 0.03 A 96 THR C C 13 173.818 0.3 A 96 THR CA C 13 63.778 0.3 A 96 THR CB C 13 69.588 0.3 A 96 THR CG2 C 13 21.08 0.3 A 96 THR N N 15 122.875 0.3 A 97 LEU H H 1 8.725 0.03 A 97 LEU HA H 1 5.11 0.03 A 97 LEU HBy H 1 1.774 0.03 A 97 LEU HBx H 1 1.53 0.03 A 97 LEU HDx% H 1 0.824 0.03 A 97 LEU HDy% H 1 1.216 0.03 A 97 LEU HG H 1 1.838 0.03 A 97 LEU C C 13 175.041 0.3 A 97 LEU CA C 13 52.832 0.3 A 97 LEU CB C 13 46.391 0.3 A 97 LEU CDx C 13 23.63 0.3 A 97 LEU CDy C 13 27.445 0.3 A 97 LEU CG C 13 27.14 0.3 A 97 LEU N N 15 124.809 0.3 A 98 VAL H H 1 8.692 0.03 A 98 VAL HA H 1 5.215 0.03 A 98 VAL HB H 1 1.746 0.03 A 98 VAL HGx% H 1 0.892 0.03 A 98 VAL HGy% H 1 0.803 0.03 A 98 VAL C C 13 175.15 0.3 A 98 VAL CA C 13 60.662 0.3 A 98 VAL CB C 13 34.355 0.3 A 98 VAL CGx C 13 20.921 0.3 A 98 VAL CGy C 13 21.617 0.3 A 98 VAL N N 15 121.081 0.3 A 99 PHE H H 1 9.724 0.03 A 99 PHE HA H 1 5.754 0.03 A 99 PHE HBx H 1 2.643 0.03 A 99 PHE HBy H 1 2.771 0.03 A 99 PHE HD1 H 1 7 0.03 A 99 PHE HD2 H 1 7 0.03 A 99 PHE HE1 H 1 7.154 0.03 A 99 PHE HE2 H 1 7.154 0.03 A 99 PHE HZ H 1 7.578 0.03 A 99 PHE C C 13 174.328 0.3 A 99 PHE CA C 13 55.196 0.3 A 99 PHE CB C 13 43.396 0.3 A 99 PHE CD1 C 13 131.359 0.3 A 99 PHE CD2 C 13 131.359 0.3 A 99 PHE CE1 C 13 132.038 0.3 A 99 PHE CE2 C 13 132.038 0.3 A 99 PHE CZ C 13 130.597 0.3 A 99 PHE N N 15 123.638 0.3 A 100 ASP H H 1 8.775 0.03 A 100 ASP HA H 1 5.164 0.03 A 100 ASP HBy H 1 2.8 0.03 A 100 ASP HBx H 1 2.452 0.03 A 100 ASP C C 13 176.946 0.3 A 100 ASP CA C 13 52.778 0.3 A 100 ASP CB C 13 42.32 0.3 A 100 ASP N N 15 124.358 0.3 A 101 VAL H H 1 9.513 0.03 A 101 VAL HA H 1 5.057 0.03 A 101 VAL HB H 1 1.778 0.03 A 101 VAL HGx% H 1 0.702 0.03 A 101 VAL HGy% H 1 0.743 0.03 A 101 VAL C C 13 172.62 0.3 A 101 VAL CA C 13 61.041 0.3 A 101 VAL CB C 13 35.481 0.3 A 101 VAL CGy C 13 22.641 0.3 A 101 VAL CGx C 13 21.096 0.3 A 101 VAL N N 15 126.428 0.3 A 102 GLU H H 1 9.285 0.03 A 102 GLU HA H 1 5.392 0.03 A 102 GLU HBy H 1 2.037 0.03 A 102 GLU HBx H 1 1.589 0.03 A 102 GLU HGx H 1 1.852 0.03 A 102 GLU HGy H 1 1.969 0.03 A 102 GLU C C 13 175.174 0.3 A 102 GLU CA C 13 53.979 0.3 A 102 GLU CB C 13 33.852 0.3 A 102 GLU CG C 13 35.852 0.3 A 102 GLU N N 15 128.393 0.3 A 103 LEU H H 1 8.613 0.03 A 103 LEU HA H 1 4.671 0.03 A 103 LEU HBy H 1 2.257 0.03 A 103 LEU HBx H 1 1.043 0.03 A 103 LEU HDx% H 1 0.635 0.03 A 103 LEU HDy% H 1 0.773 0.03 A 103 LEU HG H 1 1.318 0.03 A 103 LEU C C 13 174.266 0.3 A 103 LEU CA C 13 54.356 0.3 A 103 LEU CB C 13 41.465 0.3 A 103 LEU CDy C 13 25.763 0.3 A 103 LEU CDx C 13 23.168 0.3 A 103 LEU CG C 13 28.413 0.3 A 103 LEU N N 15 128.29 0.3 A 104 LEU H H 1 9.019 0.03 A 104 LEU HA H 1 4.194 0.03 A 104 LEU HBx H 1 1.419 0.03 A 104 LEU HBy H 1 1.466 0.03 A 104 LEU HDx% H 1 0.806 0.03 A 104 LEU HDy% H 1 0.673 0.03 A 104 LEU HG H 1 1.703 0.03 A 104 LEU C C 13 177.876 0.3 A 104 LEU CA C 13 57.212 0.3 A 104 LEU CB C 13 42.958 0.3 A 104 LEU CDx C 13 22.479 0.3 A 104 LEU CDy C 13 26.191 0.3 A 104 LEU CG C 13 27.17 0.3 A 104 LEU N N 15 128.594 0.3 A 105 MLY H H 1 7.634 0.03 A 105 MLY HA H 1 4.306 0.03 A 105 MLY HB2 H 1 1.697 0.03 A 105 MLY HB3 H 1 1.697 0.03 A 105 MLY HDx H 1 1.605 0.03 A 105 MLY HDy H 1 1.695 0.03 A 105 MLY HE2 H 1 3.024 0.03 A 105 MLY HE3 H 1 3.024 0.03 A 105 MLY HGx H 1 1.188 0.03 A 105 MLY HGy H 1 1.235 0.03 A 105 MLY HHx% H 1 2.827 0 A 105 MLY HHy% H 1 2.827 0 A 105 MLY C C 13 172.233 0.3 A 105 MLY CA C 13 55.4 0.3 A 105 MLY CB C 13 35.49 0.3 A 105 MLY CD C 13 26.656 0.3 A 105 MLY CE C 13 59.861 0.3 A 105 MLY CG C 13 24.037 0.3 A 105 MLY N N 15 112.442 0.3 A 106 LEU H H 1 8.204 0.03 A 106 LEU HA H 1 5.203 0.03 A 106 LEU HBy H 1 1.535 0.03 A 106 LEU HBx H 1 1.161 0.03 A 106 LEU HDx% H 1 0.828 0.03 A 106 LEU HDy% H 1 0.632 0.03 A 106 LEU HG H 1 1.335 0.03 A 106 LEU C C 13 175.953 0.3 A 106 LEU CA C 13 53.193 0.3 A 106 LEU CB C 13 44.145 0.3 A 106 LEU CDx C 13 25.598 0.3 A 106 LEU CDy C 13 26.051 0.3 A 106 LEU CG C 13 26.737 0.3 A 106 LEU N N 15 120.833 0.3 A 107 GLU H H 1 8.981 0.03 A 107 GLU HA H 1 4.28 0.03 A 107 GLU HBx H 1 1.654 0.03 A 107 GLU HBy H 1 1.964 0.03 A 107 GLU HGx H 1 1.869 0.03 A 107 GLU HGy H 1 1.987 0.03 A 107 GLU C C 13 180.642 0.3 A 107 GLU CA C 13 56.567 0.3 A 107 GLU CB C 13 32.584 0.3 A 107 GLU CG C 13 36.794 0.3 A 107 GLU N N 15 126.991 0.3 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 0 MET H A 0 MET HGy 1.0 . 5.65 2 2 A 1 GLY H A 2 VAL HGx% 1.0 . 6.00 3 3 A 1 GLY H A 0 MET HBx 1.0 . 5.27 4 4 A 1 GLY H A 0 MET HGx 1.0 . 6.00 5 5 A 1 GLY H A 80 TYR HE% 1.0 . 5.67 6 6 A 2 VAL H A 2 VAL HB 1.0 . 3.59 7 7 A 2 VAL H A 0 MET HA 1.0 . 4.75 8 8 A 2 VAL H A 3 GLN HE2x 1.0 . 5.21 9 9 A 1 GLY H A 2 VAL H 1.0 . 3.76 10 10 A 2 VAL H A 3 GLN H 1.0 . 4.43 11 11 A 3 GLN H A 2 VAL HGy% 1.0 . 3.08 12 12 A 3 GLN H A 75 THR HG2% 1.0 . 4.13 13 13 A 3 GLN H A 3 GLN HBy 1.0 . 3.21 14 14 A 3 GLN H A 75 THR HB 1.0 . 3.71 15 15 A 3 GLN H A 2 VAL HA 1.0 . 2.72 16 16 A 3 GLN HE2x A 3 GLN H 1.0 . 5.45 17 17 A 3 GLN H A 75 THR H 1.0 . 3.27 18 18 A 3 GLN H A 76 ILE H 1.0 . 5.50 19 19 A 5 GLU H A 4 VAL HGy% 1.0 . 4.29 20 20 A 104 LEU H A 104 LEU HBx 1.0 . 3.22 21 21 A 104 LEU H A 104 LEU HG 1.0 . 3.09 22 22 A 5 GLU H A 4 VAL HA 1.0 . 2.74 23 23 A 5 GLU H A 72 ALA HA 1.0 . 4.71 24 24 A 104 LEU H A 24 VAL HA 1.0 . 3.35 25 25 A 104 LEU H A 23 VAL H 1.0 . 5.36 26 26 A 104 LEU H A 24 VAL H 1.0 . 5.10 27 27 A 5 GLU H A 74 LEU H 1.0 . 4.97 28 28 A 23 VAL HGx% A 46 PHE H 1.0 . 4.48 29 29 A 46 PHE H A 104 LEU HDx% 1.0 . 4.79 30 30 A 46 PHE H A 45 PRO HGy 1.0 . 4.84 31 31 A 46 PHE H A 46 PHE HBy 1.0 . 3.30 32 32 A 46 PHE H A 25 HIS HA 1.0 . 4.09 33 33 A 46 PHE H A 26 TYR HD% 1.0 . 4.43 34 34 A 24 VAL H A 46 PHE H 1.0 . 3.73 35 35 A 46 PHE H A 26 TYR H 1.0 . 4.97 36 36 A 7 ILE H A 7 ILE HD1% 1.0 . 4.10 37 37 A 7 ILE H A 71 ARG HBx 1.0 . 4.41 38 38 A 7 ILE H A 70 GLN HGy 1.0 . 5.57 39 39 A 7 ILE H A 70 GLN HGx 1.0 . 4.93 40 40 A 7 ILE H A 6 THR HG2% 1.0 . 3.35 41 41 A 7 ILE H A 6 THR HA 1.0 . 2.97 42 42 A 72 ALA HA A 7 ILE H 1.0 . 3.21 43 43 A 7 ILE H A 70 GLN HE2y 1.0 . 5.04 44 44 A 71 ARG HBx A 8 SER H 1.0 . 3.38 45 45 A 6 THR HG2% A 8 SER H 1.0 . 3.07 46 46 A 70 GLN HGy A 8 SER H 1.0 . 4.56 47 47 A 70 GLN HGx A 8 SER H 1.0 . 4.00 48 48 A 8 SER H A 71 ARG H 1.0 . 3.39 49 49 A 7 ILE H A 8 SER H 1.0 . 2.80 50 50 A 8 SER H A 71 ARG HA 1.0 . 5.08 51 51 A 70 GLN HE2y A 8 SER H 1.0 . 5.27 52 52 A 8 SER H A 7 ILE HB 1.0 . 2.95 53 53 A 8 SER H A 72 ALA H 1.0 . 5.23 54 54 A 70 GLN HGx A 10 GLY H 1.0 . 3.91 55 55 A 10 GLY H A 9 PRO HA 1.0 . 2.80 56 56 A 10 GLY H A 67 SER HG 1.0 . 4.38 57 57 A 70 GLN HE2y A 10 GLY H 1.0 . 5.54 58 58 A 71 ARG H A 10 GLY H 1.0 . 4.72 59 59 A 11 ASP H A 68 VAL HGx% 1.0 . 4.34 60 60 A 11 ASP H A 68 VAL HB 1.0 . 4.22 61 61 A 11 ASP H A 70 GLN HB2 1.0 . 3.81 62 61 A 11 ASP H A 70 GLN HB3 1.0 . 3.81 63 62 A 11 ASP H A 11 ASP HBx 1.0 . 3.56 64 63 A 11 ASP H A 11 ASP HBy 1.0 . 3.56 65 64 A 11 ASP H A 67 SER HBy 1.0 . 3.72 66 65 A 67 SER HG A 11 ASP H 1.0 . 4.04 67 66 A 11 ASP H A 12 GLY H 1.0 . 3.11 68 67 A 11 ASP H A 14 THR H 1.0 . 4.79 69 68 A 11 ASP H A 10 GLY HAx 1.0 . 3.48 70 69 A 68 VAL HGx% A 12 GLY H 1.0 . 5.87 71 70 A 12 GLY H A 14 THR HG2% 1.0 . 6.00 72 71 A 12 GLY H A 13 ARG HGx 1.0 . 4.78 73 72 A 68 VAL HB A 12 GLY H 1.0 . 5.38 74 73 A 12 GLY H A 70 GLN HB2 1.0 . 4.66 75 73 A 70 GLN HB3 A 12 GLY H 1.0 . 4.66 76 74 A 12 GLY H A 11 ASP HBx 1.0 . 4.75 77 75 A 12 GLY H A 11 ASP HBy 1.0 . 4.75 78 76 A 67 SER HBy A 12 GLY H 1.0 . 3.41 79 77 A 67 SER HG A 12 GLY H 1.0 . 3.22 80 78 A 12 GLY H A 68 VAL H 1.0 . 4.63 81 79 A 12 GLY H A 14 THR H 1.0 . 3.92 82 80 A 14 THR HG2% A 13 ARG H 1.0 . 5.31 83 81 A 13 ARG H A 13 ARG HBy 1.0 . 4.08 84 82 A 13 ARG H A 67 SER HBx 1.0 . 4.05 85 83 A 13 ARG H A 11 ASP HBx 1.0 . 4.98 86 84 A 13 ARG H A 13 ARG HD2 1.0 . 4.71 87 84 A 13 ARG H A 13 ARG HD3 1.0 . 4.71 88 85 A 67 SER HBy A 13 ARG H 1.0 . 3.52 89 86 A 13 ARG H A 14 THR HB 1.0 . 4.23 90 87 A 67 SER HG A 13 ARG H 1.0 . 4.53 91 88 A 13 ARG H A 15 PHE HE% 1.0 . 4.31 92 89 A 68 VAL H A 13 ARG H 1.0 . 5.31 93 90 A 14 THR H A 13 ARG H 1.0 . 2.60 94 91 A 14 THR H A 14 THR HG2% 1.0 . 3.96 95 92 A 14 THR H A 13 ARG HBy 1.0 . 4.67 96 93 A 14 THR H A 67 SER HBx 1.0 . 3.92 97 94 A 14 THR H A 12 GLY HAx 1.0 . 4.79 98 95 A 67 SER HBy A 14 THR H 1.0 . 3.58 99 96 A 67 SER HG A 14 THR H 1.0 . 4.70 100 97 A 14 THR H A 68 VAL HGy% 1.0 . 4.85 101 98 A 14 THR HG2% A 15 PHE H 1.0 . 3.65 102 99 A 15 PHE H A 15 PHE HBy 1.0 . 3.09 103 100 A 15 PHE H A 15 PHE HBx 1.0 . 3.78 104 101 A 15 PHE H A 14 THR HA 1.0 . 2.51 105 102 A 15 PHE H A 15 PHE HD% 1.0 . 3.17 106 103 A 14 THR H A 15 PHE H 1.0 . 4.10 107 104 A 36 PHE H A 36 PHE HBx 1.0 . 3.85 108 105 A 36 PHE H A 36 PHE HBy 1.0 . 3.88 109 106 A 36 PHE H A 28 GLY HAy 1.0 . 5.34 110 107 A 36 PHE H A 29 MET HA 1.0 . 3.33 111 108 A 36 PHE H A 28 GLY H 1.0 . 4.77 112 109 A 18 ARG H A 18 ARG HBx 1.0 . 2.59 113 110 A 19 GLY H A 50 LEU HDy% 1.0 . 5.33 114 111 A 19 GLY H A 50 LEU HDx% 1.0 . 5.33 115 112 A 19 GLY H A 18 ARG HD2 1.0 . 5.28 116 112 A 19 GLY H A 18 ARG HD3 1.0 . 5.28 117 113 A 19 GLY H A 20 GLN HG2 1.0 . 4.38 118 113 A 20 GLN HG3 A 19 GLY H 1.0 . 4.38 119 114 A 19 GLY H A 50 LEU HBy 1.0 . 3.67 120 115 A 19 GLY H A 18 ARG HGy 1.0 . 3.94 121 116 A 19 GLY H A 20 GLN HE2y 1.0 . 6.00 122 117 A 20 GLN H A 20 GLN HBy 1.0 . 3.45 123 118 A 87 HIS HD2 A 90 ILE H 1.0 . 5.12 124 119 A 20 GLN HE2y A 20 GLN H 1.0 . 4.66 125 120 A 21 THR H A 21 THR HG2% 1.0 . 3.82 126 121 A 21 THR H A 106 LEU HBx 1.0 . 5.87 127 122 A 21 THR H A 20 GLN HBx 1.0 . 3.27 128 123 A 21 THR H A 21 THR HB 1.0 . 3.33 129 124 A 20 GLN H A 21 THR H 1.0 . 4.57 130 125 A 21 THR H A 107 GLU H 1.0 . 3.75 131 126 A 22 CYS H A 48 PHE HBx 1.0 . 5.63 132 127 A 22 CYS H A 21 THR HA 1.0 . 2.80 133 128 A 22 CYS H A 106 LEU HA 1.0 . 5.41 134 129 A 22 CYS H A 48 PHE HD% 1.0 . 4.48 135 130 A 23 VAL H A 23 VAL HGy% 1.0 . 3.00 136 131 A 23 VAL H A 23 VAL HB 1.0 . 3.07 137 132 A 23 VAL H A 22 CYS HA 1.0 . 2.70 138 133 A 23 VAL H A 106 LEU HA 1.0 . 3.77 139 134 A 23 VAL H A 107 GLU H 1.0 . 4.46 140 135 A 23 VAL H A 24 VAL H 1.0 . 4.62 141 136 A 24 VAL H A 24 VAL HGy% 1.0 . 3.61 142 137 A 104 LEU HG A 24 VAL H 1.0 . 5.85 143 138 A 24 VAL H A 23 VAL HB 1.0 . 4.63 144 139 A 24 VAL H A 24 VAL HGx% 1.0 . 3.61 145 140 A 24 VAL H A 25 HIS HBy 1.0 . 6.00 146 141 A 24 VAL H A 46 PHE HBx 1.0 . 4.52 147 142 A 24 VAL H A 23 VAL HA 1.0 . 2.88 148 143 A 25 HIS H A 24 VAL HGy% 1.0 . 3.98 149 144 A 25 HIS H A 102 GLU HBx 1.0 . 4.92 150 145 A 25 HIS H A 102 GLU HGx 1.0 . 3.78 151 146 A 25 HIS H A 24 VAL HB 1.0 . 3.07 152 147 A 25 HIS HBy A 25 HIS H 1.0 . 3.43 153 148 A 25 HIS H A 103 LEU HA 1.0 . 5.42 154 149 A 25 HIS H A 101 VAL HA 1.0 . 4.62 155 150 A 25 HIS H A 102 GLU HA 1.0 . 5.23 156 151 A 25 HIS H A 26 TYR HA 1.0 . 5.31 157 152 A 25 HIS H A 25 HIS HD2 1.0 . 4.43 158 153 A 104 LEU H A 25 HIS H 1.0 . 4.59 159 154 A 25 HIS H A 102 GLU H 1.0 . 3.51 160 155 A 24 VAL H A 25 HIS H 1.0 . 4.59 161 156 A 26 TYR H A 25 HIS H 1.0 . 4.65 162 157 A 26 TYR H A 25 HIS HBx 1.0 . 4.27 163 158 A 26 TYR H A 39 SER HBy 1.0 . 4.57 164 159 A 25 HIS HA A 26 TYR H 1.0 . 3.28 165 160 A 26 TYR HD% A 26 TYR H 1.0 . 3.96 166 161 A 27 THR H A 101 VAL HGx% 1.0 . 3.94 167 162 A 27 THR H A 27 THR HG2% 1.0 . 4.01 168 163 A 27 THR H A 26 TYR HBx 1.0 . 3.30 169 164 A 26 TYR HA A 27 THR H 1.0 . 2.86 170 165 A 27 THR H A 99 PHE HD% 1.0 . 3.73 171 166 A 28 GLY H A 27 THR H 1.0 . 4.24 172 167 A 26 TYR H A 27 THR H 1.0 . 4.55 173 168 A 28 GLY H A 37 ASP HBy 1.0 . 5.14 174 169 A 28 GLY H A 38 SER HA 1.0 . 3.48 175 170 A 28 GLY H A 26 TYR HE% 1.0 . 4.59 176 171 A 26 TYR HD% A 28 GLY H 1.0 . 3.87 177 172 A 27 THR HG2% A 29 MET H 1.0 . 4.96 178 173 A 29 MET H A 28 GLY HAx 1.0 . 3.27 179 174 A 29 MET H A 99 PHE HBy 1.0 . 6.00 180 175 A 28 GLY HAy A 29 MET H 1.0 . 3.00 181 176 A 29 MET H A 33 GLY HAy 1.0 . 6.00 182 177 A 29 MET H A 99 PHE HA 1.0 . 3.85 183 178 A 29 MET H A 36 PHE HZ 1.0 . 4.37 184 179 A 29 MET H A 36 PHE HE% 1.0 . 3.95 185 180 A 36 PHE H A 29 MET H 1.0 . 5.03 186 181 A 30 LEU H A 30 LEU HG 1.0 . 3.29 187 182 A 30 LEU H A 30 LEU HBy 1.0 . 3.16 188 183 A 36 PHE HBx A 30 LEU H 1.0 . 5.11 189 184 A 33 GLY HAy A 30 LEU H 1.0 . 5.57 190 185 A 29 MET HA A 30 LEU H 1.0 . 2.87 191 186 A 30 LEU H A 31 GLU H 1.0 . 4.69 192 187 A 31 GLU H A 30 LEU HBx 1.0 . 2.99 193 188 A 31 GLU H A 30 LEU HA 1.0 . 3.14 194 189 A 31 GLU H A 97 LEU HA 1.0 . 4.49 195 190 A 31 GLU H A 98 VAL H 1.0 . 5.56 196 191 A 32 ASP H A 30 LEU HDy% 1.0 . 4.90 197 192 A 32 ASP H A 30 LEU HDx% 1.0 . 4.90 198 193 A 30 LEU HBx A 32 ASP H 1.0 . 3.27 199 194 A 30 LEU HBy A 32 ASP H 1.0 . 3.40 200 195 A 43 ASN H A 43 ASN HBx 1.0 . 4.11 201 196 A 32 ASP H A 32 ASP HBy 1.0 . 3.52 202 197 A 43 ASN H A 40 ARG HA 1.0 . 4.03 203 198 A 31 GLU H A 32 ASP H 1.0 . 3.22 204 199 A 30 LEU HBx A 33 GLY H 1.0 . 3.42 205 200 A 30 LEU HBy A 33 GLY H 1.0 . 3.95 206 201 A 33 GLY H A 32 ASP HBx 1.0 . 4.52 207 202 A 33 GLY H A 32 ASP HBy 1.0 . 4.52 208 203 A 33 GLY HAy A 33 GLY H 1.0 . 2.85 209 204 A 29 MET HA A 33 GLY H 1.0 . 5.03 210 205 A 28 GLY HAx A 37 ASP H 1.0 . 4.39 211 206 A 36 PHE HBx A 37 ASP H 1.0 . 4.58 212 207 A 36 PHE HBy A 37 ASP H 1.0 . 4.35 213 208 A 28 GLY HAy A 37 ASP H 1.0 . 5.43 214 209 A 37 ASP H A 38 SER H 1.0 . 4.48 215 210 A 28 GLY H A 37 ASP H 1.0 . 3.99 216 211 A 36 PHE HE% A 37 ASP H 1.0 . 4.90 217 212 A 27 THR HG2% A 38 SER H 1.0 . 5.17 218 213 A 38 SER H A 37 ASP HBx 1.0 . 4.56 219 214 A 37 ASP HBy A 38 SER H 1.0 . 4.66 220 215 A 38 SER H A 38 SER HBx 1.0 . 4.11 221 216 A 38 SER H A 38 SER HBy 1.0 . 4.11 222 217 A 38 SER H A 37 ASP HA 1.0 . 3.03 223 218 A 26 TYR HE% A 38 SER H 1.0 . 5.31 224 219 A 38 SER H A 36 PHE HD% 1.0 . 6.00 225 220 A 39 SER H A 40 ARG HGx 1.0 . 4.82 226 221 A 39 SER H A 40 ARG HGy 1.0 . 4.71 227 222 A 39 SER H A 40 ARG HBx 1.0 . 5.26 228 223 A 39 SER H A 42 ARG HGy 1.0 . 5.94 229 224 A 25 HIS HBx A 39 SER H 1.0 . 6.00 230 225 A 39 SER H A 39 SER HBx 1.0 . 3.76 231 226 A 38 SER HA A 39 SER H 1.0 . 2.82 232 227 A 39 SER H A 39 SER HBy 1.0 . 3.76 233 228 A 25 HIS HA A 39 SER H 1.0 . 5.33 234 229 A 26 TYR HE% A 39 SER H 1.0 . 4.23 235 230 A 39 SER H A 41 ASP H 1.0 . 4.36 236 231 A 39 SER H A 40 ARG H 1.0 . 3.09 237 232 A 28 GLY H A 39 SER H 1.0 . 4.72 238 233 A 26 TYR H A 39 SER H 1.0 . 3.91 239 234 A 40 ARG HGx A 40 ARG H 1.0 . 3.65 240 235 A 40 ARG HGy A 40 ARG H 1.0 . 3.31 241 236 A 40 ARG HBx A 40 ARG H 1.0 . 3.32 242 237 A 25 HIS HBx A 40 ARG H 1.0 . 4.85 243 238 A 38 SER HA A 40 ARG H 1.0 . 4.30 244 239 A 40 ARG H A 39 SER HBy 1.0 . 4.57 245 240 A 25 HIS HA A 40 ARG H 1.0 . 4.92 246 241 A 41 ASP H A 40 ARG H 1.0 . 3.46 247 242 A 26 TYR H A 40 ARG H 1.0 . 4.67 248 243 A 40 ARG HGx A 41 ASP H 1.0 . 5.51 249 244 A 40 ARG HGy A 41 ASP H 1.0 . 5.07 250 245 A 41 ASP H A 42 ARG HGx 1.0 . 5.55 251 246 A 40 ARG HBx A 41 ASP H 1.0 . 4.40 252 247 A 41 ASP H A 42 ARG HB2 1.0 . 5.38 253 247 A 41 ASP H A 42 ARG HB3 1.0 . 5.38 254 248 A 41 ASP H A 38 SER HBy 1.0 . 4.59 255 249 A 42 ARG HGy A 42 ARG H 1.0 . 4.33 256 250 A 42 ARG H A 42 ARG HB2 1.0 . 3.81 257 250 A 42 ARG HB3 A 42 ARG H 1.0 . 3.81 258 251 A 42 ARG H A 41 ASP HBy 1.0 . 5.00 259 252 A 42 ARG H A 42 ARG HDx 1.0 . 5.55 260 253 A 42 ARG H A 42 ARG HDy 1.0 . 5.55 261 254 A 43 ASN H A 43 ASN HBy 1.0 . 4.11 262 255 A 32 ASP H A 32 ASP HBx 1.0 . 3.52 263 256 A 32 ASP H A 31 GLU HA 1.0 . 3.45 264 257 A 43 ASN H A 42 ARG H 1.0 . 3.57 265 258 A 48 PHE H A 55 VAL HGx% 1.0 . 5.09 266 259 A 21 THR HG2% A 48 PHE H 1.0 . 3.15 267 260 A 48 PHE HBx A 48 PHE H 1.0 . 3.69 268 261 A 48 PHE HD% A 48 PHE H 1.0 . 3.29 269 262 A 22 CYS H A 48 PHE H 1.0 . 3.33 270 263 A 24 VAL H A 48 PHE H 1.0 . 5.17 271 264 A 21 THR HA A 48 PHE H 1.0 . 3.95 272 265 A 49 MET H A 50 LEU HDy% 1.0 . 6.00 273 266 A 49 MET H A 49 MET HG2 1.0 . 4.56 274 266 A 49 MET H A 49 MET HG3 1.0 . 4.56 275 267 A 48 PHE HD% A 49 MET H 1.0 . 4.04 276 268 A 48 PHE H A 49 MET H 1.0 . 4.45 277 269 A 49 MET H A 50 LEU H 1.0 . 4.67 278 270 A 49 MET H A 50 LEU HDx% 1.0 . 6.00 279 271 A 50 LEU H A 50 LEU HDx% 1.0 . 4.05 280 272 A 50 LEU H A 50 LEU HBx 1.0 . 3.63 281 273 A 48 PHE HD% A 50 LEU H 1.0 . 4.42 282 274 A 20 GLN HE2y A 50 LEU H 1.0 . 5.57 283 275 A 20 GLN H A 50 LEU H 1.0 . 4.21 284 276 A 50 LEU H A 51 GLY H 1.0 . 4.85 285 277 A 51 GLY H A 55 VAL HGy% 1.0 . 5.37 286 278 A 51 GLY H A 50 LEU HDy% 1.0 . 4.98 287 279 A 50 LEU HBx A 51 GLY H 1.0 . 4.23 288 280 A 51 GLY H A 60 GLU HBx 1.0 . 4.93 289 281 A 48 PHE HD% A 51 GLY H 1.0 . 5.65 290 282 A 19 GLY H A 51 GLY H 1.0 . 5.27 291 283 A 55 VAL HGy% A 53 GLN H 1.0 . 5.19 292 284 A 53 GLN H A 53 GLN HA 1.0 . 2.71 293 285 A 53 GLN H A 55 VAL H 1.0 . 4.54 294 286 A 53 GLN H A 54 GLU H 1.0 . 3.39 295 287 A 51 GLY H A 53 GLN H 1.0 . 3.94 296 288 A 54 GLU H A 53 GLN HA 1.0 . 3.40 297 289 A 55 VAL H A 60 GLU HGx 1.0 . 4.91 298 290 A 48 PHE HBx A 55 VAL H 1.0 . 6.00 299 291 A 53 GLN HA A 55 VAL H 1.0 . 3.89 300 292 A 55 VAL H A 56 ILE H 1.0 . 4.68 301 293 A 54 GLU H A 55 VAL H 1.0 . 3.01 302 294 A 56 ILE H A 56 ILE HG2% 1.0 . 3.32 303 295 A 56 ILE H A 56 ILE HG1y 1.0 . 3.21 304 296 A 56 ILE H A 56 ILE HG1x 1.0 . 3.58 305 297 A 56 ILE H A 55 VAL HB 1.0 . 3.18 306 298 A 56 ILE H A 55 VAL HA 1.0 . 3.14 307 299 A 56 ILE HG2% A 57 ARG H 1.0 . 3.49 308 300 A 57 ARG H A 56 ILE HD1% 1.0 . 4.55 309 301 A 57 ARG H A 57 ARG HGx 1.0 . 4.64 310 302 A 57 ARG H A 57 ARG HBx 1.0 . 3.15 311 303 A 57 ARG H A 57 ARG HBy 1.0 . 3.05 312 304 A 57 ARG H A 56 ILE HB 1.0 . 3.11 313 305 A 57 ARG H A 57 ARG HDy 1.0 . 5.33 314 306 A 57 ARG H A 56 ILE HA 1.0 . 2.71 315 307 A 57 ARG H A 80 TYR HA 1.0 . 5.01 316 308 A 57 ARG H A 80 TYR HD% 1.0 . 4.95 317 309 A 56 ILE H A 57 ARG H 1.0 . 4.79 318 310 A 57 ARG H A 58 GLY H 1.0 . 3.64 319 311 A 57 ARG HBx A 58 GLY H 1.0 . 4.13 320 312 A 57 ARG HBy A 58 GLY H 1.0 . 4.44 321 313 A 56 ILE HB A 58 GLY H 1.0 . 4.45 322 314 A 58 GLY H A 80 TYR HBx 1.0 . 3.85 323 315 A 58 GLY H A 81 ALA HA 1.0 . 5.45 324 316 A 56 ILE HD1% A 59 TRP H 1.0 . 3.47 325 317 A 59 TRP H A 76 ILE HD1% 1.0 . 3.85 326 318 A 56 ILE HG1x A 59 TRP H 1.0 . 3.12 327 319 A 57 ARG HBy A 59 TRP H 1.0 . 5.40 328 320 A 56 ILE HB A 59 TRP H 1.0 . 3.76 329 321 A 59 TRP H A 59 TRP HB2 1.0 . 2.85 330 321 A 59 TRP H A 59 TRP HB3 1.0 . 2.85 331 322 A 59 TRP H A 60 GLU H 1.0 . 3.03 332 323 A 58 GLY H A 59 TRP H 1.0 . 3.59 333 324 A 55 VAL HGy% A 60 GLU H 1.0 . 3.55 334 325 A 56 ILE HG1x A 60 GLU H 1.0 . 4.31 335 326 A 55 VAL HB A 60 GLU H 1.0 . 5.00 336 327 A 60 GLU H A 59 TRP HB2 1.0 . 3.25 337 327 A 59 TRP HB3 A 60 GLU H 1.0 . 3.25 338 328 A 60 GLU H A 57 ARG HA 1.0 . 3.91 339 329 A 58 GLY H A 60 GLU H 1.0 . 5.10 340 330 A 55 VAL HGy% A 61 GLU H 1.0 . 5.36 341 331 A 2 VAL HGy% A 61 GLU H 1.0 . 4.69 342 332 A 61 GLU H A 57 ARG HGy 1.0 . 5.33 343 333 A 61 GLU H A 61 GLU HBy 1.0 . 3.00 344 334 A 61 GLU H A 59 TRP HB2 1.0 . 4.68 345 334 A 59 TRP HB3 A 61 GLU H 1.0 . 4.68 346 335 A 61 GLU H A 60 GLU HA 1.0 . 3.53 347 336 A 80 TYR HE% A 61 GLU H 1.0 . 5.74 348 337 A 60 GLU H A 61 GLU H 1.0 . 3.23 349 338 A 59 TRP H A 61 GLU H 1.0 . 4.21 350 339 A 61 GLU H A 62 GLY H 1.0 . 3.13 351 340 A 58 GLY H A 61 GLU H 1.0 . 5.04 352 341 A 2 VAL HGy% A 62 GLY H 1.0 . 3.91 353 342 A 62 GLY H A 64 ALA HB% 1.0 . 4.78 354 343 A 61 GLU HBy A 62 GLY H 1.0 . 3.44 355 344 A 62 GLY H A 59 TRP HB2 1.0 . 4.78 356 344 A 59 TRP HB3 A 62 GLY H 1.0 . 4.78 357 345 A 62 GLY H A 64 ALA H 1.0 . 3.96 358 346 A 62 GLY H A 63 VAL H 1.0 . 3.18 359 347 A 98 VAL H A 97 LEU HBx 1.0 . 3.60 360 348 A 63 VAL H A 63 VAL HB 1.0 . 2.96 361 349 A 63 VAL H A 63 VAL HGy% 1.0 . 3.93 362 350 A 63 VAL H A 59 TRP HA 1.0 . 3.81 363 351 A 98 VAL H A 99 PHE H 1.0 . 4.52 364 352 A 99 PHE HA A 98 VAL H 1.0 . 5.46 365 353 A 64 ALA H A 63 VAL HGy% 1.0 . 4.08 366 354 A 64 ALA HB% A 64 ALA H 1.0 . 2.73 367 355 A 61 GLU H A 64 ALA H 1.0 . 5.17 368 356 A 65 GLN H A 63 VAL HGx% 1.0 . 5.62 369 357 A 65 GLN H A 63 VAL HGy% 1.0 . 5.62 370 358 A 64 ALA HB% A 65 GLN H 1.0 . 3.28 371 359 A 65 GLN H A 62 GLY HAx 1.0 . 4.88 372 360 A 65 GLN H A 66 MET HA 1.0 . 5.16 373 361 A 65 GLN H A 66 MET H 1.0 . 2.88 374 362 A 63 VAL H A 65 GLN H 1.0 . 4.43 375 363 A 66 MET H A 66 MET HGx 1.0 . 3.33 376 364 A 64 ALA HB% A 66 MET H 1.0 . 4.66 377 365 A 66 MET H A 66 MET HGy 1.0 . 3.40 378 366 A 66 MET H A 65 GLN HBy 1.0 . 4.08 379 367 A 66 MET H A 15 PHE HA 1.0 . 5.73 380 368 A 15 PHE HBx A 66 MET H 1.0 . 5.14 381 369 A 67 SER H A 103 LEU HDx% 1.0 . 5.70 382 370 A 67 SER H A 103 LEU HBx 1.0 . 5.67 383 371 A 67 SER H A 72 ALA HB% 1.0 . 5.50 384 372 A 67 SER H A 66 MET HBy 1.0 . 3.29 385 373 A 70 GLN HGx A 67 SER H 1.0 . 4.56 386 374 A 67 SER HBy A 67 SER H 1.0 . 3.99 387 375 A 66 MET HA A 67 SER H 1.0 . 2.92 388 376 A 67 SER HG A 67 SER H 1.0 . 3.26 389 377 A 15 PHE HD% A 67 SER H 1.0 . 5.15 390 378 A 15 PHE HE% A 67 SER H 1.0 . 5.42 391 379 A 67 SER H A 70 GLN HE2x 1.0 . 4.21 392 380 A 70 GLN HE2y A 67 SER H 1.0 . 5.18 393 381 A 14 THR H A 67 SER H 1.0 . 6.00 394 382 A 68 VAL HB A 68 VAL H 1.0 . 2.93 395 383 A 67 SER HBy A 68 VAL H 1.0 . 3.23 396 384 A 68 VAL H A 14 THR HB 1.0 . 3.16 397 385 A 68 VAL H A 67 SER HA 1.0 . 2.97 398 386 A 67 SER HG A 68 VAL H 1.0 . 4.37 399 387 A 68 VAL H A 15 PHE HD% 1.0 . 5.46 400 388 A 11 ASP H A 68 VAL H 1.0 . 4.52 401 389 A 68 VAL H A 69 GLY H 1.0 . 4.58 402 390 A 14 THR H A 68 VAL H 1.0 . 3.98 403 391 A 68 VAL HGx% A 69 GLY H 1.0 . 3.02 404 392 A 69 GLY H A 103 LEU HBy 1.0 . 3.73 405 393 A 69 GLY H A 68 VAL HA 1.0 . 2.74 406 394 A 11 ASP H A 69 GLY H 1.0 . 5.37 407 395 A 70 GLN H A 70 GLN HB2 1.0 . 2.69 408 395 A 70 GLN HB3 A 70 GLN H 1.0 . 2.69 409 396 A 70 GLN H A 10 GLY HAy 1.0 . 3.25 410 397 A 80 TYR HD% A 77 SER H 1.0 . 5.09 411 398 A 2 VAL H A 77 SER H 1.0 . 6.00 412 399 A 77 SER H A 80 TYR H 1.0 . 4.33 413 400 A 68 VAL H A 70 GLN H 1.0 . 4.77 414 401 A 71 ARG H A 71 ARG HBy 1.0 . 3.54 415 402 A 71 ARG HBx A 71 ARG H 1.0 . 3.35 416 403 A 71 ARG H A 70 GLN HB2 1.0 . 3.98 417 403 A 71 ARG H A 70 GLN HB3 1.0 . 3.98 418 404 A 70 GLN HGx A 71 ARG H 1.0 . 3.59 419 405 A 71 ARG H A 8 SER HBx 1.0 . 4.02 420 406 A 7 ILE H A 71 ARG H 1.0 . 4.44 421 407 A 71 ARG H A 72 ALA H 1.0 . 4.46 422 408 A 72 ALA H A 101 VAL HGy% 1.0 . 4.24 423 409 A 72 ALA H A 72 ALA HB% 1.0 . 3.24 424 410 A 72 ALA H A 71 ARG HGx 1.0 . 3.40 425 411 A 72 ALA H A 66 MET HE% 1.0 . 3.29 426 412 A 72 ALA H A 70 GLN HA 1.0 . 5.87 427 413 A 72 ALA H A 102 GLU HA 1.0 . 3.71 428 414 A 71 ARG HA A 72 ALA H 1.0 . 2.92 429 415 A 72 ALA H A 101 VAL H 1.0 . 4.55 430 416 A 70 GLN HE2y A 72 ALA H 1.0 . 5.91 431 417 A 72 ALA H A 70 GLN HE2x 1.0 . 6.00 432 418 A 74 LEU H A 74 LEU HBy 1.0 . 3.30 433 419 A 74 LEU H A 74 LEU HG 1.0 . 3.38 434 420 A 74 LEU H A 99 PHE HD% 1.0 . 6.00 435 421 A 4 VAL HA A 74 LEU H 1.0 . 5.34 436 422 A 2 VAL HGy% A 75 THR H 1.0 . 3.96 437 423 A 75 THR H A 74 LEU HBx 1.0 . 3.72 438 424 A 75 THR H A 74 LEU HBy 1.0 . 4.12 439 425 A 75 THR H A 3 GLN HBx 1.0 . 4.63 440 426 A 75 THR HB A 75 THR H 1.0 . 3.18 441 427 A 75 THR H A 4 VAL HA 1.0 . 4.00 442 428 A 75 THR H A 74 LEU HA 1.0 . 2.72 443 429 A 75 THR H A 76 ILE H 1.0 . 4.44 444 430 A 76 ILE H A 76 ILE HG1x 1.0 . 3.82 445 431 A 76 ILE H A 76 ILE HG2% 1.0 . 3.89 446 432 A 76 ILE H A 76 ILE HG1y 1.0 . 3.42 447 433 A 76 ILE H A 97 LEU H 1.0 . 4.66 448 434 A 76 ILE HG2% A 79 ASP H 1.0 . 5.39 449 435 A 79 ASP H A 81 ALA HB% 1.0 . 5.19 450 436 A 79 ASP H A 78 PRO HGy 1.0 . 4.63 451 437 A 79 ASP H A 78 PRO HGx 1.0 . 3.50 452 438 A 79 ASP H A 80 TYR HBy 1.0 . 4.76 453 439 A 79 ASP H A 79 ASP HBx 1.0 . 3.41 454 440 A 79 ASP H A 78 PRO HDx 1.0 . 3.87 455 441 A 80 TYR HD% A 79 ASP H 1.0 . 4.74 456 442 A 80 TYR H A 76 ILE HG2% 1.0 . 3.81 457 443 A 80 TYR H A 78 PRO HGx 1.0 . 5.18 458 444 A 80 TYR H A 79 ASP HBy 1.0 . 3.67 459 445 A 80 TYR H A 80 TYR HBy 1.0 . 3.00 460 446 A 80 TYR HD% A 80 TYR H 1.0 . 3.45 461 447 A 80 TYR H A 81 ALA H 1.0 . 2.74 462 448 A 80 TYR H A 79 ASP H 1.0 . 3.22 463 449 A 80 TYR H A 82 TYR H 1.0 . 5.10 464 450 A 58 GLY H A 80 TYR H 1.0 . 5.91 465 451 A 56 ILE HG2% A 81 ALA H 1.0 . 4.95 466 452 A 56 ILE HD1% A 81 ALA H 1.0 . 4.85 467 453 A 76 ILE HG2% A 81 ALA H 1.0 . 3.82 468 454 A 81 ALA HB% A 81 ALA H 1.0 . 3.08 469 455 A 81 ALA H A 76 ILE HB 1.0 . 5.28 470 456 A 81 ALA H A 78 PRO HA 1.0 . 3.58 471 457 A 80 TYR HBy A 81 ALA H 1.0 . 3.86 472 458 A 80 TYR HD% A 81 ALA H 1.0 . 4.83 473 459 A 79 ASP H A 81 ALA H 1.0 . 4.12 474 460 A 81 ALA H A 82 TYR H 1.0 . 4.26 475 461 A 81 ALA HB% A 83 GLY H 1.0 . 3.88 476 462 A 83 GLY H A 82 TYR HBy 1.0 . 4.29 477 463 A 83 GLY H A 82 TYR HBx 1.0 . 4.46 478 464 A 83 GLY H A 83 GLY HAx 1.0 . 2.93 479 465 A 83 GLY H A 82 TYR HD% 1.0 . 4.52 480 466 A 82 TYR H A 83 GLY H 1.0 . 3.48 481 467 A 85 THR H A 85 THR HG2% 1.0 . 4.09 482 468 A 85 THR H A 84 ALA HB% 1.0 . 3.81 483 469 A 85 THR H A 83 GLY HAy 1.0 . 4.53 484 470 A 85 THR H A 85 THR HB 1.0 . 3.57 485 471 A 85 THR H A 86 GLY H 1.0 . 3.55 486 472 A 86 GLY H A 91 ILE HG2% 1.0 . 5.72 487 473 A 85 THR HG2% A 86 GLY H 1.0 . 5.11 488 474 A 82 TYR HBy A 86 GLY H 1.0 . 4.74 489 475 A 82 TYR HBx A 86 GLY H 1.0 . 4.33 490 476 A 87 HIS H A 91 ILE HG1y 1.0 . 5.14 491 477 A 91 ILE HG2% A 87 HIS H 1.0 . 4.13 492 478 A 87 HIS H A 91 ILE HB 1.0 . 3.48 493 479 A 82 TYR HBy A 87 HIS H 1.0 . 5.41 494 480 A 87 HIS H A 86 GLY HAy 1.0 . 3.48 495 481 A 87 HIS H A 91 ILE HA 1.0 . 5.02 496 482 A 86 GLY H A 87 HIS H 1.0 . 4.88 497 483 A 87 HIS H A 91 ILE H 1.0 . 4.12 498 484 A 91 ILE H A 91 ILE HD1% 1.0 . 4.31 499 485 A 91 ILE H A 91 ILE HG1x 1.0 . 4.00 500 486 A 91 ILE H A 90 ILE HD1% 1.0 . 4.55 501 487 A 91 ILE H A 90 ILE HB 1.0 . 3.17 502 488 A 91 ILE H A 87 HIS HBy 1.0 . 4.21 503 489 A 91 ILE H A 87 HIS HBx 1.0 . 3.52 504 490 A 91 ILE H A 92 PRO HDx 1.0 . 4.87 505 491 A 87 HIS HD2 A 91 ILE H 1.0 . 5.42 506 492 A 78 PRO HBy A 94 HIS H 1.0 . 3.98 507 493 A 94 HIS H A 94 HIS HBy 1.0 . 3.83 508 494 A 94 HIS H A 93 PRO HA 1.0 . 3.05 509 495 A 94 HIS H A 93 PRO HBy 1.0 . 4.22 510 496 A 91 ILE HG2% A 95 ALA H 1.0 . 4.66 511 497 A 95 ALA H A 95 ALA HB% 1.0 . 2.88 512 498 A 78 PRO HGy A 95 ALA H 1.0 . 4.34 513 499 A 93 PRO HA A 95 ALA H 1.0 . 4.34 514 500 A 96 THR H A 96 THR HG2% 1.0 . 3.81 515 501 A 95 ALA HB% A 96 THR H 1.0 . 3.46 516 502 A 78 PRO HGy A 96 THR H 1.0 . 4.28 517 503 A 96 THR H A 31 GLU HBy 1.0 . 5.69 518 504 A 96 THR H A 78 PRO HBx 1.0 . 6.00 519 505 A 96 THR H A 96 THR HB 1.0 . 2.93 520 506 A 96 THR H A 95 ALA HA 1.0 . 2.55 521 507 A 95 ALA H A 96 THR H 1.0 . 4.30 522 508 A 31 GLU H A 96 THR H 1.0 . 5.52 523 509 A 97 LEU H A 97 LEU HDy% 1.0 . 4.21 524 510 A 97 LEU H A 97 LEU HBy 1.0 . 2.97 525 511 A 97 LEU HBx A 97 LEU H 1.0 . 3.89 526 512 A 97 LEU H A 78 PRO HDy 1.0 . 4.09 527 513 A 97 LEU H A 77 SER HA 1.0 . 3.39 528 514 A 36 PHE HZ A 97 LEU H 1.0 . 6.00 529 515 A 99 PHE HD% A 97 LEU H 1.0 . 6.00 530 516 A 99 PHE H A 75 THR HA 1.0 . 3.73 531 517 A 99 PHE HD% A 99 PHE H 1.0 . 3.89 532 518 A 99 PHE H A 100 ASP H 1.0 . 4.53 533 519 A 28 GLY HAy A 99 PHE H 1.0 . 5.06 534 520 A 100 ASP H A 100 ASP HBx 1.0 . 3.36 535 521 A 99 PHE HA A 100 ASP H 1.0 . 2.84 536 522 A 99 PHE HD% A 100 ASP H 1.0 . 4.43 537 523 A 29 MET H A 100 ASP H 1.0 . 5.71 538 524 A 27 THR HG2% A 100 ASP H 1.0 . 4.56 539 525 A 101 VAL HGx% A 101 VAL H 1.0 . 3.45 540 526 A 101 VAL H A 100 ASP HBx 1.0 . 4.39 541 527 A 101 VAL H A 100 ASP HBy 1.0 . 4.73 542 528 A 26 TYR HA A 101 VAL H 1.0 . 5.04 543 529 A 101 VAL H A 100 ASP H 1.0 . 4.36 544 530 A 102 GLU H A 101 VAL HGx% 1.0 . 4.10 545 531 A 102 GLU HBx A 102 GLU H 1.0 . 3.65 546 532 A 102 GLU H A 24 VAL HGy% 1.0 . 4.64 547 533 A 102 GLU HGx A 102 GLU H 1.0 . 3.66 548 534 A 24 VAL HB A 102 GLU H 1.0 . 4.05 549 535 A 25 HIS HBy A 102 GLU H 1.0 . 4.09 550 536 A 101 VAL HA A 102 GLU H 1.0 . 2.88 551 537 A 24 VAL HA A 102 GLU H 1.0 . 4.26 552 538 A 26 TYR HA A 102 GLU H 1.0 . 4.26 553 539 A 26 TYR HD% A 102 GLU H 1.0 . 6.00 554 540 A 26 TYR H A 102 GLU H 1.0 . 5.20 555 541 A 101 VAL HGy% A 103 LEU H 1.0 . 4.70 556 542 A 103 LEU H A 103 LEU HDy% 1.0 . 5.08 557 543 A 103 LEU HBx A 103 LEU H 1.0 . 3.38 558 544 A 103 LEU H A 103 LEU HG 1.0 . 4.49 559 545 A 102 GLU HBx A 103 LEU H 1.0 . 4.44 560 546 A 103 LEU HBy A 103 LEU H 1.0 . 3.22 561 547 A 68 VAL HA A 103 LEU H 1.0 . 5.39 562 548 A 102 GLU HA A 103 LEU H 1.0 . 2.85 563 549 A 71 ARG HA A 103 LEU H 1.0 . 3.66 564 550 A 102 GLU H A 103 LEU H 1.0 . 4.45 565 551 A 72 ALA H A 103 LEU H 1.0 . 4.69 566 552 A 106 LEU HBx A 107 GLU H 1.0 . 3.49 567 553 A 107 GLU H A 107 GLU HBy 1.0 . 3.89 568 554 A 20 GLN HBx A 107 GLU H 1.0 . 4.44 569 555 A 21 THR HB A 107 GLU H 1.0 . 3.59 570 556 A 107 GLU H A 106 LEU HA 1.0 . 2.74 571 557 A 107 GLU H A 106 LEU H 1.0 . 4.71 572 558 A 20 GLN HE2y A 107 GLU H 1.0 . 5.27 573 559 A 107 GLU H A 20 GLN HE2x 1.0 . 5.91 574 560 A 2 VAL H A 0 MET HBx 1.0 . 4.55 575 561 A 2 VAL H A 3 GLN HA 1.0 . 4.96 576 562 A 3 GLN H A 74 LEU HBx 1.0 . 5.26 577 563 A 4 VAL H A 65 GLN HE2x 1.0 . 5.40 578 564 A 104 LEU H A 103 LEU HBx 1.0 . 4.23 579 565 A 5 GLU H A 6 THR HA 1.0 . 5.20 580 566 A 10 GLY H A 11 ASP H 1.0 . 3.72 581 567 A 11 ASP H A 10 GLY HAy 1.0 . 3.06 582 568 A 11 ASP H A 67 SER HBx 1.0 . 4.74 583 569 A 11 ASP H A 14 THR HG2% 1.0 . 5.99 584 570 A 11 ASP H A 13 ARG HGx 1.0 . 5.74 585 571 A 13 ARG H A 11 ASP HBy 1.0 . 4.98 586 572 A 15 PHE H A 13 ARG HA 1.0 . 4.91 587 573 A 67 SER HBy A 15 PHE H 1.0 . 5.41 588 574 A 19 GLY H A 18 ARG HGx 1.0 . 3.94 589 575 A 25 HIS H A 45 PRO HB2 1.0 . 4.62 590 575 A 25 HIS H A 45 PRO HB3 1.0 . 4.62 591 576 A 26 TYR H A 38 SER HA 1.0 . 5.85 592 577 A 27 THR H A 29 MET HE% 1.0 . 4.79 593 578 A 27 THR H A 101 VAL H 1.0 . 5.05 594 579 A 29 MET H A 30 LEU HA 1.0 . 5.51 595 580 A 29 MET H A 98 VAL HB 1.0 . 3.55 596 581 A 29 MET H A 99 PHE HBx 1.0 . 6.00 597 582 A 43 ASN H A 40 ARG HBy 1.0 . 4.99 598 583 A 30 LEU HA A 33 GLY H 1.0 . 5.17 599 584 A 36 PHE H A 36 PHE HE% 1.0 . 4.70 600 585 A 37 ASP H A 90 ILE HG2% 1.0 . 5.49 601 586 A 39 SER H A 38 SER HBx 1.0 . 4.13 602 587 A 38 SER H A 39 SER H 1.0 . 4.41 603 588 A 26 TYR HD% A 39 SER H 1.0 . 4.12 604 589 A 40 ARG H A 39 SER HG 1.0 . 4.75 605 590 A 43 ASN H A 41 ASP H 1.0 . 4.86 606 591 A 41 ASP H A 42 ARG H 1.0 . 4.00 607 592 A 42 ARG H A 41 ASP HBx 1.0 . 5.00 608 593 A 43 ASN H A 25 HIS HE1 1.0 . 4.81 609 594 A 46 PHE H A 25 HIS HBy 1.0 . 5.99 610 595 A 46 PHE H A 26 TYR HBy 1.0 . 6.00 611 596 A 23 VAL HGy% A 48 PHE H 1.0 . 4.81 612 597 A 22 CYS HA A 48 PHE H 1.0 . 4.86 613 598 A 49 MET H A 54 GLU HG2 1.0 . 3.94 614 598 A 49 MET H A 54 GLU HG3 1.0 . 3.94 615 599 A 21 THR HA A 49 MET H 1.0 . 4.75 616 600 A 49 MET H A 46 PHE HE% 1.0 . 6.00 617 601 A 50 LEU H A 50 LEU HG 1.0 . 4.35 618 602 A 50 LEU H A 20 GLN HG2 1.0 . 4.73 619 602 A 20 GLN HG3 A 50 LEU H 1.0 . 4.73 620 603 A 50 LEU HBy A 51 GLY H 1.0 . 4.34 621 604 A 57 ARG H A 80 TYR HBx 1.0 . 4.62 622 605 A 57 ARG H A 57 ARG HDx 1.0 . 4.72 623 606 A 58 GLY H A 80 TYR HBy 1.0 . 4.33 624 607 A 59 TRP H A 60 GLU HGy 1.0 . 4.56 625 608 A 60 GLU H A 61 GLU HBy 1.0 . 5.20 626 609 A 60 GLU H A 60 GLU HGy 1.0 . 3.54 627 610 A 57 ARG H A 60 GLU H 1.0 . 5.52 628 611 A 60 GLU H A 59 TRP HE3 1.0 . 5.82 629 612 A 60 GLU H A 59 TRP HD1 1.0 . 5.36 630 613 A 61 GLU H A 62 GLY HAx 1.0 . 4.86 631 614 A 57 ARG HGx A 61 GLU H 1.0 . 4.92 632 615 A 62 GLY H A 58 GLY HAy 1.0 . 4.45 633 616 A 64 ALA H A 62 GLY HAy 1.0 . 4.52 634 617 A 65 GLN H A 65 GLN HGy 1.0 . 3.19 635 618 A 65 GLN H A 66 MET HGy 1.0 . 3.98 636 619 A 66 MET H A 72 ALA HB% 1.0 . 5.95 637 620 A 66 MET H A 103 LEU HG 1.0 . 6.00 638 621 A 66 MET H A 65 GLN HGy 1.0 . 4.62 639 622 A 67 SER HBx A 67 SER H 1.0 . 3.66 640 623 A 68 VAL H A 67 SER HBx 1.0 . 3.94 641 624 A 69 GLY H A 104 LEU HA 1.0 . 4.34 642 625 A 69 GLY H A 103 LEU HDy% 1.0 . 4.89 643 626 A 103 LEU HBx A 69 GLY H 1.0 . 4.10 644 627 A 67 SER HG A 70 GLN H 1.0 . 4.64 645 628 A 102 GLU HA A 70 GLN H 1.0 . 5.64 646 629 A 71 ARG HA A 70 GLN H 1.0 . 5.49 647 630 A 69 GLY H A 70 GLN H 1.0 . 3.02 648 631 A 70 GLN H A 69 GLY HAx 1.0 . 3.46 649 632 A 70 GLN H A 69 GLY HAy 1.0 . 3.33 650 633 A 80 TYR HBx A 77 SER H 1.0 . 4.52 651 634 A 71 ARG H A 70 GLN HA 1.0 . 2.84 652 635 A 72 ALA H A 71 ARG HE 1.0 . 5.55 653 636 A 6 THR HA A 72 ALA H 1.0 . 4.89 654 637 A 74 LEU H A 99 PHE HA 1.0 . 5.40 655 638 A 74 LEU H A 99 PHE H 1.0 . 4.10 656 639 A 74 LEU H A 99 PHE HBy 1.0 . 4.88 657 640 A 2 VAL HA A 75 THR H 1.0 . 4.66 658 641 A 3 GLN HBy A 75 THR H 1.0 . 3.97 659 642 A 75 THR H A 74 LEU H 1.0 . 4.60 660 643 A 76 ILE H A 97 LEU HBx 1.0 . 5.58 661 644 A 75 THR HB A 76 ILE H 1.0 . 4.70 662 645 A 76 ILE H A 98 VAL HA 1.0 . 3.79 663 646 A 76 ILE H A 75 THR HA 1.0 . 2.83 664 647 A 77 SER H A 80 TYR HBy 1.0 . 3.44 665 648 A 77 SER H A 76 ILE HG2% 1.0 . 3.11 666 649 A 79 ASP H A 77 SER HBx 1.0 . 4.35 667 650 A 79 ASP H A 77 SER HBy 1.0 . 4.35 668 651 A 77 SER H A 79 ASP H 1.0 . 4.86 669 652 A 80 TYR HBx A 80 TYR H 1.0 . 3.64 670 653 A 58 GLY H A 81 ALA H 1.0 . 5.46 671 654 A 80 TYR HBx A 81 ALA H 1.0 . 4.10 672 655 A 78 PRO HA A 83 GLY H 1.0 . 3.90 673 656 A 85 THR H A 86 GLY HAx 1.0 . 4.96 674 657 A 86 GLY H A 82 TYR HA 1.0 . 5.71 675 658 A 84 ALA HB% A 86 GLY H 1.0 . 5.49 676 659 A 82 TYR HBx A 87 HIS H 1.0 . 5.10 677 660 A 90 ILE H A 87 HIS HBx 1.0 . 4.06 678 661 A 91 ILE H A 90 ILE HG1x 1.0 . 3.99 679 662 A 91 ILE H A 92 PRO HDy 1.0 . 4.60 680 663 A 78 PRO HA A 94 HIS H 1.0 . 5.96 681 664 A 94 HIS H A 95 ALA HA 1.0 . 6.00 682 665 A 94 HIS H A 93 PRO HGy 1.0 . 5.04 683 666 A 94 HIS H A 78 PRO HBx 1.0 . 3.96 684 667 A 95 ALA H A 94 HIS HA 1.0 . 3.36 685 668 A 96 THR H A 31 GLU HG2 1.0 . 4.39 686 668 A 96 THR H A 31 GLU HG3 1.0 . 4.39 687 669 A 97 LEU H A 96 THR H 1.0 . 4.67 688 670 A 97 LEU H A 97 LEU HDx% 1.0 . 4.21 689 671 A 97 LEU H A 96 THR HG2% 1.0 . 3.06 690 672 A 99 PHE H A 98 VAL HA 1.0 . 2.77 691 673 A 99 PHE H A 99 PHE HBx 1.0 . 3.50 692 674 A 101 VAL H A 74 LEU HG 1.0 . 4.45 693 675 A 101 VAL H A 71 ARG HE 1.0 . 5.98 694 676 A 101 VAL H A 100 ASP HA 1.0 . 2.74 695 677 A 102 GLU H A 102 GLU HGy 1.0 . 3.93 696 678 A 102 GLU H A 25 HIS HBx 1.0 . 4.67 697 679 A 71 ARG HA A 102 GLU H 1.0 . 5.14 698 680 A 104 LEU H A 103 LEU H 1.0 . 4.51 699 681 A 69 GLY H A 103 LEU H 1.0 . 4.56 700 682 A 24 VAL HA A 103 LEU H 1.0 . 5.64 701 683 A 70 GLN HGx A 103 LEU H 1.0 . 5.95 702 684 A 5 GLU H A 72 ALA HB% 1.0 . 3.43 703 685 A 104 LEU H A 104 LEU HDx% 1.0 . 3.53 704 686 A 5 GLU H A 5 GLU HGx 1.0 . 4.29 705 687 A 23 VAL HB A 106 LEU H 1.0 . 5.87 706 688 A 106 LEU H A 107 GLU HGx 1.0 . 6.00 707 689 A 106 LEU H A 106 LEU HDy% 1.0 . 4.03 708 690 A 106 LEU H A 106 LEU HBy 1.0 . 3.06 709 691 A 106 LEU H A 106 LEU HG 1.0 . 3.97 710 692 A 107 GLU H A 21 THR HA 1.0 . 4.81 711 693 A 3 GLN HBx A 3 GLN HE2y 1.0 . 4.51 712 694 A 2 VAL HGx% A 3 GLN HE2x 1.0 . 6.00 713 695 A 3 GLN HE2x A 75 THR HG2% 1.0 . 4.74 714 696 A 3 GLN HE2x A 3 GLN HBy 1.0 . 5.29 715 697 A 3 GLN HE2x A 3 GLN HBx 1.0 . 5.19 716 698 A 20 GLN HE2y A 22 CYS HA 1.0 . 5.23 717 699 A 20 GLN HE2y A 20 GLN HBx 1.0 . 3.62 718 700 A 20 GLN HE2y A 106 LEU HBx 1.0 . 4.49 719 701 A 20 GLN HE2y A 106 LEU HDy% 1.0 . 5.17 720 702 A 20 GLN HE2y A 21 THR H 1.0 . 5.40 721 703 A 106 LEU HBx A 20 GLN HE2x 1.0 . 4.22 722 704 A 20 GLN HE2x A 20 GLN HA 1.0 . 6.00 723 705 A 106 LEU HA A 20 GLN HE2x 1.0 . 5.87 724 706 A 53 GLN HE2y A 53 GLN HB2 1.0 . 4.42 725 706 A 53 GLN HB3 A 53 GLN HE2y 1.0 . 4.42 726 707 A 53 GLN HE2x A 53 GLN HB2 1.0 . 4.30 727 707 A 53 GLN HB3 A 53 GLN HE2x 1.0 . 4.30 728 708 A 64 ALA HB% A 65 GLN HE2x 1.0 . 6.00 729 709 A 2 VAL HB A 65 GLN HE2x 1.0 . 6.00 730 710 A 65 GLN HE2x A 61 GLU HBx 1.0 . 5.08 731 711 A 65 GLN HE2x A 65 GLN HGx 1.0 . 4.03 732 712 A 65 GLN HE2x A 65 GLN HGy 1.0 . 3.89 733 713 A 65 GLN HE2x A 62 GLY HAy 1.0 . 4.39 734 714 A 62 GLY H A 65 GLN HE2x 1.0 . 5.77 735 715 A 65 GLN HE2x A 61 GLU HA 1.0 . 5.83 736 716 A 64 ALA HB% A 65 GLN HE2y 1.0 . 5.20 737 717 A 61 GLU HBy A 65 GLN HE2y 1.0 . 5.07 738 718 A 61 GLU HBx A 65 GLN HE2y 1.0 . 4.50 739 719 A 65 GLN HBy A 65 GLN HE2y 1.0 . 5.01 740 720 A 62 GLY HAx A 65 GLN HE2y 1.0 . 4.48 741 721 A 61 GLU HA A 65 GLN HE2y 1.0 . 5.36 742 722 A 65 GLN HE2y A 65 GLN HA 1.0 . 5.50 743 723 A 62 GLY H A 65 GLN HE2y 1.0 . 5.47 744 724 A 72 ALA HB% A 70 GLN HE2x 1.0 . 4.08 745 725 A 66 MET HGx A 70 GLN HE2x 1.0 . 4.44 746 726 A 6 THR HA A 70 GLN HE2x 1.0 . 4.52 747 727 A 9 PRO HA A 70 GLN HE2x 1.0 . 6.00 748 728 A 70 GLN HE2x A 65 GLN HA 1.0 . 6.00 749 729 A 67 SER HG A 70 GLN HE2x 1.0 . 6.00 750 730 A 72 ALA HA A 70 GLN HE2x 1.0 . 6.00 751 731 A 66 MET HGy A 70 GLN HE2x 1.0 . 5.42 752 732 A 7 ILE H A 70 GLN HE2x 1.0 . 5.79 753 733 A 70 GLN HE2y A 72 ALA HB% 1.0 . 3.91 754 734 A 70 GLN HE2y A 66 MET HGx 1.0 . 4.47 755 735 A 6 THR HA A 70 GLN HE2y 1.0 . 4.21 756 736 A 70 GLN HE2y A 9 PRO HA 1.0 . 5.54 757 737 A 72 ALA HA A 70 GLN HE2y 1.0 . 5.08 758 738 A 70 GLN HE2y A 66 MET HGy 1.0 . 5.40 759 739 A 70 GLN HE2y A 70 GLN H 1.0 . 6.00 760 740 A 43 ASN HA A 43 ASN HD2x 1.0 . 4.70 761 741 A 43 ASN HA A 43 ASN HD2y 1.0 . 4.70 762 742 A 72 ALA HA A 71 ARG HE 1.0 . 5.95 763 743 A 12 GLY H A 13 ARG H 1.0 . 3.21 764 744 A 14 THR H A 13 ARG HD2 1.0 . 5.42 765 744 A 14 THR H A 13 ARG HD3 1.0 . 5.42 766 745 A 7 ILE H A 7 ILE HG1y 1.0 . 3.47 767 746 A 7 ILE H A 5 GLU HA 1.0 . 6.00 768 747 A 8 SER H A 9 PRO HA 1.0 . 4.92 769 748 A 72 ALA HA A 8 SER H 1.0 . 4.27 770 749 A 19 GLY H A 49 MET HA 1.0 . 4.82 771 750 A 24 VAL H A 22 CYS HA 1.0 . 5.62 772 751 A 25 HIS H A 25 HIS HBx 1.0 . 3.68 773 752 A 27 THR H A 26 TYR HBy 1.0 . 3.99 774 753 A 31 GLU H A 31 GLU HBx 1.0 . 3.67 775 754 A 33 GLY H A 30 LEU HDx% 1.0 . 5.00 776 755 A 33 GLY H A 31 GLU HA 1.0 . 4.18 777 756 A 36 PHE H A 36 PHE HD% 1.0 . 3.42 778 757 A 26 TYR HBx A 39 SER H 1.0 . 5.44 779 758 A 39 SER H A 38 SER HBy 1.0 . 4.13 780 759 A 43 ASN H A 42 ARG HB2 1.0 . 3.75 781 759 A 43 ASN H A 42 ARG HB3 1.0 . 3.75 782 760 A 46 PHE H A 46 PHE HBx 1.0 . 3.21 783 761 A 23 VAL HA A 48 PHE H 1.0 . 4.37 784 762 A 54 GLU H A 54 GLU HG2 1.0 . 3.21 785 762 A 54 GLU H A 54 GLU HG3 1.0 . 3.21 786 763 A 55 VAL H A 53 GLN HB2 1.0 . 4.89 787 763 A 55 VAL H A 53 GLN HB3 1.0 . 4.89 788 764 A 8 SER H A 8 SER HBx 1.0 . 3.12 789 765 A 10 GLY H A 67 SER H 1.0 . 4.85 790 766 A 13 ARG H A 13 ARG HGy 1.0 . 3.47 791 767 A 90 ILE H A 91 ILE HG1y 1.0 . 4.69 792 768 A 21 THR H A 107 GLU HBx 1.0 . 3.78 793 769 A 24 VAL H A 23 VAL HGy% 1.0 . 4.44 794 770 A 28 GLY H A 27 THR HG2% 1.0 . 3.44 795 771 A 28 GLY H A 99 PHE HE% 1.0 . 4.98 796 772 A 29 MET H A 29 MET HBy 1.0 . 3.45 797 773 A 29 MET HA A 37 ASP H 1.0 . 4.91 798 774 A 40 ARG H A 40 ARG HBy 1.0 . 3.67 799 775 A 39 SER H A 39 SER HG 1.0 . 4.54 800 776 A 40 ARG HA A 42 ARG H 1.0 . 5.20 801 777 A 46 PHE H A 45 PRO HB2 1.0 . 3.22 802 777 A 46 PHE H A 45 PRO HB3 1.0 . 3.22 803 778 A 49 MET H A 49 MET HBy 1.0 . 3.57 804 779 A 49 MET H A 48 PHE HBy 1.0 . 3.17 805 780 A 51 GLY H A 50 LEU HA 1.0 . 2.89 806 781 A 53 GLN H A 50 LEU HA 1.0 . 4.21 807 782 A 61 GLU H A 60 GLU HBy 1.0 . 3.17 808 783 A 80 TYR HD% A 61 GLU H 1.0 . 5.64 809 784 A 80 TYR HD% A 62 GLY H 1.0 . 6.00 810 785 A 63 VAL H A 66 MET H 1.0 . 5.99 811 786 A 67 SER H A 103 LEU HDy% 1.0 . 5.70 812 787 A 14 THR HG2% A 68 VAL H 1.0 . 3.68 813 788 A 68 VAL H A 70 GLN HB2 1.0 . 4.88 814 788 A 70 GLN HB3 A 68 VAL H 1.0 . 4.88 815 789 A 68 VAL H A 15 PHE HA 1.0 . 4.25 816 790 A 67 SER H A 70 GLN H 1.0 . 4.24 817 791 A 70 GLN HGx A 72 ALA H 1.0 . 4.77 818 792 A 72 ALA H A 7 ILE HG1y 1.0 . 4.85 819 793 A 75 THR H A 3 GLN HA 1.0 . 4.67 820 794 A 79 ASP H A 79 ASP HBy 1.0 . 3.47 821 795 A 79 ASP HBy A 81 ALA H 1.0 . 5.42 822 796 A 91 ILE HB A 91 ILE H 1.0 . 3.39 823 797 A 94 HIS H A 95 ALA HB% 1.0 . 4.47 824 798 A 97 LEU H A 99 PHE HE% 1.0 . 5.08 825 799 A 76 ILE HD1% A 99 PHE H 1.0 . 4.90 826 800 A 29 MET H A 99 PHE H 1.0 . 5.11 827 801 A 107 GLU H A 23 VAL HGy% 1.0 . 4.49 828 802 A 107 GLU H A 107 GLU HGy 1.0 . 3.46 829 803 A 56 ILE H A 59 TRP HB2 1.0 . 4.10 830 803 A 56 ILE H A 59 TRP HB3 1.0 . 4.10 831 804 A 56 ILE H A 56 ILE HB 1.0 . 4.12 832 805 A 3 GLN HA A 3 GLN HE2y 1.0 . 4.60 833 806 A 3 GLN HE2x A 3 GLN HA 1.0 . 4.98 834 807 A 14 THR H A 11 ASP HBx 1.0 . 5.34 835 808 A 38 SER H A 41 ASP H 1.0 . 5.55 836 809 A 49 MET H A 50 LEU HA 1.0 . 5.40 837 810 A 90 ILE H A 91 ILE HD1% 1.0 . 5.43 838 811 A 6 THR H A 7 ILE HG1x 1.0 . 5.57 839 812 A 26 TYR H A 39 SER HBx 1.0 . 4.57 840 813 A 31 GLU H A 30 LEU HDx% 1.0 . 4.37 841 814 A 22 CYS H A 49 MET H 1.0 . 5.19 842 815 A 51 GLY H A 54 GLU H 1.0 . 5.35 843 816 A 59 TRP H A 62 GLY H 1.0 . 4.84 844 817 A 55 VAL HB A 59 TRP H 1.0 . 4.97 845 818 A 99 PHE HBx A 59 TRP HE1 1.0 . 4.66 846 819 A 67 SER H A 16 PRO HDy 1.0 . 5.73 847 820 A 10 GLY HAx A 69 GLY H 1.0 . 5.70 848 821 A 71 ARG H A 10 GLY HAx 1.0 . 5.64 849 822 A 12 GLY H A 67 SER HA 1.0 . 4.73 850 823 A 14 THR H A 11 ASP HBy 1.0 . 5.34 851 824 A 104 LEU H A 103 LEU HA 1.0 . 3.08 852 825 A 77 SER H A 76 ILE HA 1.0 . 2.66 853 826 A 12 GLY H A 13 ARG HA 1.0 . 5.32 854 827 A 12 GLY H A 15 PHE HZ 1.0 . 6.00 855 828 A 14 THR H A 13 ARG HGx 1.0 . 3.72 856 829 A 36 PHE H A 37 ASP H 1.0 . 2.78 857 830 A 27 THR HG2% A 39 SER H 1.0 . 4.51 858 831 A 50 LEU HBy A 50 LEU H 1.0 . 3.05 859 832 A 62 GLY H A 61 GLU HBx 1.0 . 4.22 860 833 A 46 PHE H A 45 PRO HA 1.0 . 2.97 861 834 A 46 PHE H A 25 HIS HE1 1.0 . 5.24 862 835 A 7 ILE H A 7 ILE HB 1.0 . 3.30 863 836 A 7 ILE H A 72 ALA HB% 1.0 . 3.68 864 837 A 7 ILE H A 72 ALA H 1.0 . 4.82 865 838 A 13 ARG HGx A 13 ARG H 1.0 . 3.19 866 839 A 20 GLN H A 18 ARG HA 1.0 . 3.74 867 840 A 21 THR H A 20 GLN HE2x 1.0 . 5.91 868 841 A 19 GLY H A 20 GLN H 1.0 . 2.88 869 842 A 24 VAL H A 48 PHE HE% 1.0 . 5.01 870 843 A 26 TYR HD% A 27 THR H 1.0 . 3.73 871 844 A 31 GLU H A 30 LEU HDy% 1.0 . 4.37 872 845 A 32 ASP H A 33 GLY H 1.0 . 2.92 873 846 A 23 VAL H A 22 CYS H 1.0 . 4.16 874 847 A 55 VAL HGy% A 54 GLU H 1.0 . 3.89 875 848 A 55 VAL HGy% A 55 VAL H 1.0 . 2.99 876 849 A 57 ARG H A 59 TRP H 1.0 . 4.53 877 850 A 63 VAL H A 59 TRP HB2 1.0 . 4.84 878 850 A 59 TRP HB3 A 63 VAL H 1.0 . 4.84 879 851 A 63 VAL H A 66 MET HGy 1.0 . 5.33 880 852 A 76 ILE H A 77 SER H 1.0 . 4.44 881 853 A 74 LEU H A 101 VAL H 1.0 . 3.72 882 854 A 94 HIS H A 84 ALA HA 1.0 . 3.47 883 855 A 95 ALA H A 94 HIS HBx 1.0 . 4.55 884 856 A 26 TYR HA A 100 ASP H 1.0 . 4.61 885 857 A 70 GLN HE2y A 71 ARG H 1.0 . 5.10 886 858 A 29 MET H A 98 VAL H 1.0 . 3.76 887 859 A 101 VAL HGy% A 101 VAL H 1.0 . 3.83 888 860 A 60 GLU H A 62 GLY H 1.0 . 4.51 889 861 A 66 MET H A 67 SER H 1.0 . 4.54 890 862 A 68 VAL H A 67 SER H 1.0 . 4.62 891 863 A 94 HIS H A 95 ALA H 1.0 . 3.37 892 864 A 102 GLU H A 101 VAL H 1.0 . 4.68 893 865 A 20 GLN HE2y A 20 GLN HG2 1.0 . 3.18 894 865 A 20 GLN HG3 A 20 GLN HE2y 1.0 . 3.18 895 866 A 20 GLN H A 20 GLN HE2x 1.0 . 5.36 896 867 A 2 VAL HGy% A 65 GLN HE2y 1.0 . 4.55 897 868 A 4 VAL H A 4 VAL HGx% 1.0 . 3.85 898 869 A 11 ASP H A 13 ARG H 1.0 . 4.57 899 870 A 68 VAL HA A 70 GLN H 1.0 . 3.56 900 871 A 2 VAL HGx% A 2 VAL H 1.0 . 2.84 901 872 A 50 LEU H A 49 MET HA 1.0 . 2.87 902 873 A 53 GLN H A 53 GLN HB2 1.0 . 3.44 903 873 A 53 GLN H A 53 GLN HB3 1.0 . 3.44 904 874 A 14 THR H A 14 THR HB 1.0 . 3.53 905 875 A 18 ARG H A 18 ARG HBy 1.0 . 3.19 906 876 A 76 ILE H A 76 ILE HB 1.0 . 3.13 907 877 A 21 THR H A 20 GLN HA 1.0 . 2.70 908 878 A 24 VAL H A 23 VAL HGx% 1.0 . 3.27 909 879 A 24 VAL HA A 25 HIS H 1.0 . 2.78 910 880 A 30 LEU H A 29 MET HBx 1.0 . 3.58 911 881 A 61 GLU H A 61 GLU HBx 1.0 . 3.68 912 882 A 49 MET H A 49 MET HBx 1.0 . 3.57 913 883 A 50 LEU H A 49 MET HG2 1.0 . 3.86 914 883 A 49 MET HG3 A 50 LEU H 1.0 . 3.86 915 884 A 50 LEU HBy A 20 GLN H 1.0 . 4.08 916 885 A 90 ILE H A 90 ILE HB 1.0 . 3.08 917 886 A 56 ILE HG1y A 59 TRP H 1.0 . 4.13 918 887 A 76 ILE HD1% A 77 SER H 1.0 . 4.15 919 888 A 62 GLY H A 59 TRP HA 1.0 . 3.76 920 889 A 60 GLU H A 60 GLU HBy 1.0 . 3.22 921 890 A 62 GLY H A 62 GLY HAx 1.0 . 2.83 922 891 A 65 GLN H A 63 VAL HA 1.0 . 3.78 923 892 A 66 MET H A 64 ALA HA 1.0 . 3.79 924 893 A 66 MET H A 66 MET HBy 1.0 . 3.30 925 894 A 103 LEU H A 102 GLU HBy 1.0 . 3.62 926 895 A 68 VAL H A 68 VAL HGy% 1.0 . 2.79 927 896 A 97 LEU H A 97 LEU HG 1.0 . 2.97 928 897 A 76 ILE H A 76 ILE HD1% 1.0 . 3.70 929 898 A 80 TYR HA A 81 ALA H 1.0 . 3.52 930 899 A 90 ILE H A 87 HIS HA 1.0 . 5.43 931 900 A 90 ILE H A 90 ILE HD1% 1.0 . 3.99 932 901 A 90 ILE H A 90 ILE HG1x 1.0 . 3.51 933 902 A 91 ILE H A 90 ILE HG2% 1.0 . 3.66 934 903 A 75 THR HG2% A 76 ILE H 1.0 . 3.35 935 904 A 97 LEU HA A 98 VAL H 1.0 . 2.85 936 905 A 99 PHE HBy A 100 ASP H 1.0 . 3.65 937 906 A 99 PHE HBy A 99 PHE H 1.0 . 3.77 938 907 A 74 LEU H A 100 ASP HA 1.0 . 3.17 939 908 A 107 GLU H A 106 LEU HBy 1.0 . 3.84 940 909 A 3 GLN HBx A 4 VAL H 1.0 . 3.78 941 910 A 21 THR HG2% A 22 CYS H 1.0 . 2.89 942 911 A 81 ALA H A 83 GLY H 1.0 . 4.74 943 912 A 61 GLU H A 58 GLY HAy 1.0 . 4.11 944 913 A 67 SER H A 70 GLN HB2 1.0 . 3.07 945 913 A 70 GLN HB3 A 67 SER H 1.0 . 3.07 946 914 A 75 THR H A 76 ILE HD1% 1.0 . 3.91 947 915 A 2 VAL HGy% A 65 GLN HE2x 1.0 . 4.04 948 916 A 70 GLN HE2x A 66 MET HBx 1.0 . 4.05 949 917 A 70 GLN HE2y A 66 MET HBx 1.0 . 3.93 950 918 A 54 GLU H A 53 GLN HB2 1.0 . 3.97 951 918 A 54 GLU H A 53 GLN HB3 1.0 . 3.97 952 919 A 99 PHE H A 98 VAL HGy% 1.0 . 4.33 953 920 A 49 MET H A 48 PHE HA 1.0 . 2.90 954 921 A 64 ALA H A 63 VAL H 1.0 . 3.08 955 922 A 104 LEU H A 24 VAL HB 1.0 . 4.25 956 923 A 98 VAL H A 98 VAL HGx% 1.0 . 4.31 957 924 A 33 GLY H A 30 LEU HDy% 1.0 . 5.00 958 925 A 61 GLU HBy A 65 GLN HE2x 1.0 . 5.33 959 926 A 13 ARG H A 68 VAL HGy% 1.0 . 6.00 960 927 A 20 GLN HE2x A 106 LEU HBy 1.0 . 4.23 961 928 A 31 GLU H A 33 GLY H 1.0 . 4.31 962 929 A 58 GLY H A 62 GLY H 1.0 . 6.00 963 930 A 87 HIS H A 92 PRO HA 1.0 . 6.00 964 931 A 12 GLY H A 67 SER HBx 1.0 . 3.55 965 932 A 70 GLN HE2y A 66 MET HA 1.0 . 4.84 966 933 A 66 MET HA A 70 GLN HE2x 1.0 . 4.74 967 934 A 46 PHE H A 23 VAL HA 1.0 . 4.87 968 935 A 3 GLN HA A 4 VAL H 1.0 . 2.66 969 936 A 65 GLN H A 64 ALA HA 1.0 . 3.53 970 937 A 90 ILE H A 89 GLY HAx 1.0 . 3.09 971 938 A 0 MET H A -1 SER HBx 1.0 . 6.00 972 939 A 0 MET H A -1 SER HBy 1.0 . 6.00 973 940 A 0 MET H A 0 MET HGx 1.0 . 5.65 974 941 A 1 GLY H A 2 VAL HGy% 1.0 . 6.00 975 942 A 1 GLY H A 0 MET HBy 1.0 . 5.27 976 943 A 1 GLY H A 0 MET HGy 1.0 . 6.00 977 944 A 2 VAL H A 0 MET HBy 1.0 . 4.55 978 945 A 2 VAL H A 0 MET HGy 1.0 . 5.58 979 946 A 1 GLY H A 80 TYR HD% 1.0 . 5.91 980 947 A 3 GLN HBy A 3 GLN HE2y 1.0 . 4.90 981 948 A 75 THR HG2% A 3 GLN HE2y 1.0 . 4.52 982 949 A 75 THR HB A 3 GLN HE2y 1.0 . 4.99 983 950 A 4 VAL H A 4 VAL HB 1.0 . 3.19 984 951 A 7 ILE HG1y A 6 THR H 1.0 . 5.88 985 952 A 7 ILE H A 7 ILE HG2% 1.0 . 4.07 986 953 A 7 ILE H A 7 ILE HG1x 1.0 . 3.60 987 954 A 8 SER H A 8 SER HBy 1.0 . 3.43 988 955 A 10 GLY H A 70 GLN HB2 1.0 . 3.50 989 955 A 10 GLY H A 70 GLN HB3 1.0 . 3.50 990 956 A 70 GLN HGy A 10 GLY H 1.0 . 3.66 991 957 A 11 ASP H A 68 VAL HGy% 1.0 . 5.29 992 958 A 14 THR H A 12 GLY HAy 1.0 . 5.09 993 959 A 14 THR H A 13 ARG HGy 1.0 . 4.01 994 960 A 14 THR H A 15 PHE HD% 1.0 . 4.94 995 961 A 67 SER HBx A 15 PHE H 1.0 . 5.04 996 962 A 19 GLY H A 18 ARG HA 1.0 . 2.72 997 963 A 20 GLN HE2x A 20 GLN HG2 1.0 . 3.39 998 963 A 20 GLN HG3 A 20 GLN HE2x 1.0 . 3.39 999 964 A 20 GLN H A 20 GLN HG2 1.0 . 2.58 1000 964 A 20 GLN HG3 A 20 GLN H 1.0 . 2.58 1001 965 A 24 VAL H A 48 PHE HD% 1.0 . 4.94 1002 966 A 104 LEU HG A 25 HIS H 1.0 . 3.62 1003 967 A 26 TYR H A 26 TYR HBy 1.0 . 4.13 1004 968 A 27 THR H A 27 THR HB 1.0 . 3.39 1005 969 A 29 MET H A 97 LEU HBx 1.0 . 4.88 1006 970 A 30 LEU H A 30 LEU HBx 1.0 . 3.93 1007 971 A 36 PHE HBy A 30 LEU H 1.0 . 6.00 1008 972 A 37 ASP HBy A 37 ASP H 1.0 . 3.65 1009 973 A 39 SER H A 26 TYR HBy 1.0 . 5.70 1010 974 A 40 ARG H A 42 ARG HB2 1.0 . 6.00 1011 974 A 40 ARG H A 42 ARG HB3 1.0 . 6.00 1012 975 A 42 ARG HGy A 40 ARG H 1.0 . 6.00 1013 976 A 40 ARG H A 39 SER HBx 1.0 . 4.57 1014 977 A 41 ASP H A 40 ARG HBy 1.0 . 4.28 1015 978 A 41 ASP H A 38 SER HBx 1.0 . 4.59 1016 979 A 42 ARG HGx A 42 ARG H 1.0 . 4.10 1017 980 A 43 ASN H A 43 ASN HA 1.0 . 2.92 1018 981 A 72 ALA HB% A 6 THR H 1.0 . 3.62 1019 982 A 21 THR HG2% A 49 MET H 1.0 . 4.54 1020 983 A 55 VAL HGx% A 49 MET H 1.0 . 4.70 1021 984 A 50 LEU H A 18 ARG HA 1.0 . 4.36 1022 985 A 50 LEU H A 19 GLY HAy 1.0 . 5.04 1023 986 A 55 VAL H A 48 PHE HBy 1.0 . 5.16 1024 987 A 58 GLY H A 76 ILE HD1% 1.0 . 4.10 1025 988 A 56 ILE HG2% A 60 GLU H 1.0 . 6.00 1026 989 A 60 GLU HGx A 60 GLU H 1.0 . 3.16 1027 990 A 2 VAL HGx% A 61 GLU H 1.0 . 4.51 1028 991 A 61 GLU H A 64 ALA HB% 1.0 . 4.84 1029 992 A 61 GLU H A 62 GLY HAy 1.0 . 5.30 1030 993 A 64 ALA H A 62 GLY HAx 1.0 . 4.60 1031 994 A 62 GLY HAy A 65 GLN HE2y 1.0 . 4.08 1032 995 A 65 GLN H A 62 GLY HAy 1.0 . 4.06 1033 996 A 62 GLY HAx A 65 GLN HE2x 1.0 . 5.14 1034 997 A 65 GLN H A 65 GLN HGx 1.0 . 3.36 1035 998 A 65 GLN H A 65 GLN HBy 1.0 . 2.95 1036 999 A 66 MET H A 65 GLN HBx 1.0 . 4.66 1037 1000 A 67 SER H A 70 GLN HA 1.0 . 5.00 1038 1001 A 68 VAL HGy% A 69 GLY H 1.0 . 3.98 1039 1002 A 10 GLY H A 70 GLN HE2x 1.0 . 5.94 1040 1003 A 71 ARG H A 70 GLN HE2x 1.0 . 6.00 1041 1004 A 71 ARG HE A 7 ILE HG2% 1.0 . 5.47 1042 1005 A 71 ARG H A 8 SER HBy 1.0 . 3.82 1043 1006 A 71 ARG HGx A 71 ARG HE 1.0 . 4.06 1044 1007 A 72 ALA H A 66 MET HBx 1.0 . 4.65 1045 1008 A 72 ALA H A 71 ARG HDy 1.0 . 4.56 1046 1009 A 74 LEU H A 99 PHE HBx 1.0 . 4.37 1047 1010 A 77 SER H A 77 SER HBx 1.0 . 3.95 1048 1011 A 80 TYR H A 78 PRO HDx 1.0 . 4.74 1049 1012 A 80 TYR H A 79 ASP HBx 1.0 . 3.69 1050 1013 A 56 ILE HB A 81 ALA H 1.0 . 5.30 1051 1014 A 83 GLY H A 78 PRO HBy 1.0 . 4.51 1052 1015 A 87 HIS H A 91 ILE HG1x 1.0 . 5.38 1053 1016 A 90 ILE H A 90 ILE HG1y 1.0 . 3.74 1054 1017 A 91 ILE HG1y A 91 ILE H 1.0 . 3.77 1055 1018 A 94 HIS H A 93 PRO HBx 1.0 . 4.10 1056 1019 A 78 PRO HGx A 94 HIS H 1.0 . 4.45 1057 1020 A 78 PRO HGx A 95 ALA H 1.0 . 4.30 1058 1021 A 95 ALA H A 78 PRO HBx 1.0 . 3.58 1059 1022 A 100 ASP H A 100 ASP HBy 1.0 . 3.10 1060 1023 A 102 GLU H A 24 VAL HGx% 1.0 . 4.64 1061 1024 A 102 GLU H A 102 GLU HBy 1.0 . 3.92 1062 1025 A 66 MET HE% A 103 LEU H 1.0 . 3.13 1063 1026 A 104 LEU H A 103 LEU HBy 1.0 . 4.70 1064 1027 A 104 LEU H A 104 LEU HBy 1.0 . 3.81 1065 1028 A 107 GLU H A 107 GLU HBx 1.0 . 3.35 1066 1029 A 8 SER H A 7 ILE HG1y 1.0 . 3.86 1067 1030 A 28 GLY H A 99 PHE HBy 1.0 . 5.92 1068 1031 A 78 PRO HDx A 81 ALA H 1.0 . 5.57 1069 1032 A 63 VAL H A 62 GLY HAx 1.0 . 3.44 1070 1033 A 103 LEU HA A 102 GLU H 1.0 . 4.97 1071 1034 A 28 GLY H A 27 THR HA 1.0 . 2.98 1072 1035 A 14 THR H A 67 SER HA 1.0 . 4.58 1073 1036 A 15 PHE H A 67 SER HA 1.0 . 4.64 1074 1037 A 21 THR H A 49 MET HA 1.0 . 4.73 1075 1038 A 30 LEU HA A 32 ASP H 1.0 . 4.25 1076 1039 A 38 SER HA A 41 ASP H 1.0 . 4.65 1077 1040 A 103 LEU HA A 69 GLY H 1.0 . 5.26 1078 1041 A 77 SER H A 77 SER HA 1.0 . 2.94 1079 1042 A 79 ASP H A 77 SER HA 1.0 . 4.10 1080 1043 A 80 TYR H A 77 SER HA 1.0 . 4.84 1081 1044 A 81 ALA H A 77 SER HA 1.0 . 5.15 1082 1045 A 91 ILE H A 92 PRO HA 1.0 . 4.96 1083 1046 A 91 ILE H A 87 HIS HA 1.0 . 4.92 1084 1047 A 97 LEU H A 96 THR HA 1.0 . 2.87 1085 1048 A 30 LEU HA A 98 VAL H 1.0 . 4.26 1086 1049 A 99 PHE HE% A 59 TRP HE1 1.0 . 4.29 1087 1050 A 80 TYR H A 81 ALA HB% 1.0 . 3.83 1088 1051 A 90 ILE H A 89 GLY H 1.0 . 3.89 1089 1052 A 87 HIS H A 87 HIS HBx 1.0 . 4.04 1090 1053 A 82 TYR H A 91 ILE HG2% 1.0 . 6.00 1091 1054 A 76 ILE HD1% A 59 TRP HE1 1.0 . 4.04 1092 1055 A 56 ILE HD1% A 59 TRP HE1 1.0 . 3.43 1093 1056 A 99 PHE HBy A 59 TRP HE1 1.0 . 4.92 1094 1057 A 99 PHE HD% A 59 TRP HE1 1.0 . 3.94 1095 1058 A 0 MET HE% A 0 MET HGx 1.0 . 4.19 1096 1059 A 75 THR HG2% A 2 VAL HA 1.0 . 4.62 1097 1060 A 2 VAL HGy% A 58 GLY HAy 1.0 . 3.49 1098 1061 A 2 VAL HGy% A 58 GLY HAx 1.0 . 3.56 1099 1062 A 2 VAL HGy% A 2 VAL HA 1.0 . 3.28 1100 1063 A 2 VAL HGy% A 80 TYR HD% 1.0 . 4.18 1101 1064 A 2 VAL H A 2 VAL HGy% 1.0 . 4.09 1102 1065 A 2 VAL HGy% A 74 LEU HA 1.0 . 4.06 1103 1066 A 2 VAL HB A 80 TYR HD% 1.0 . 4.59 1104 1067 A 2 VAL HGx% A 62 GLY H 1.0 . 4.15 1105 1068 A 2 VAL HGx% A 3 GLN H 1.0 . 4.33 1106 1069 A 2 VAL HGx% A 61 GLU HBy 1.0 . 3.16 1107 1070 A 2 VAL HGx% A 61 GLU HBx 1.0 . 3.44 1108 1071 A 2 VAL HGy% A 59 TRP HA 1.0 . 4.51 1109 1072 A 66 MET HGx A 63 VAL HA 1.0 . 3.72 1110 1073 A 66 MET HGx A 4 VAL HGx% 1.0 . 4.05 1111 1074 A 66 MET HGx A 67 SER H 1.0 . 5.00 1112 1075 A 4 VAL HA A 74 LEU HBx 1.0 . 4.70 1113 1076 A 4 VAL HA A 74 LEU HBy 1.0 . 5.18 1114 1077 A 4 VAL HA A 4 VAL HGx% 1.0 . 3.32 1115 1078 A 4 VAL HA A 74 LEU HG 1.0 . 4.27 1116 1079 A 74 LEU HBx A 4 VAL HB 1.0 . 4.95 1117 1080 A 5 GLU H A 4 VAL HGx% 1.0 . 4.29 1118 1081 A 4 VAL H A 4 VAL HGy% 1.0 . 3.85 1119 1082 A 5 GLU H A 5 GLU HGy 1.0 . 4.29 1120 1083 A 4 VAL HA A 5 GLU HGy 1.0 . 5.37 1121 1084 A 7 ILE HD1% A 6 THR HA 1.0 . 5.32 1122 1085 A 6 THR HA A 7 ILE HG2% 1.0 . 5.47 1123 1086 A 6 THR HA A 72 ALA HB% 1.0 . 3.39 1124 1087 A 6 THR HA A 7 ILE HG1x 1.0 . 4.59 1125 1088 A 6 THR HA A 66 MET HE% 1.0 . 6.00 1126 1089 A 71 ARG HBx A 6 THR HA 1.0 . 6.00 1127 1090 A 6 THR HA A 66 MET HBx 1.0 . 6.00 1128 1091 A 70 GLN HGy A 6 THR HA 1.0 . 6.00 1129 1092 A 72 ALA HA A 6 THR HA 1.0 . 3.50 1130 1093 A 6 THR HA A 8 SER H 1.0 . 4.04 1131 1094 A 70 GLN HE2y A 6 THR HB 1.0 . 5.15 1132 1095 A 70 GLN HE2x A 6 THR HB 1.0 . 5.45 1133 1096 A 8 SER H A 6 THR HB 1.0 . 5.50 1134 1097 A 7 ILE H A 6 THR HB 1.0 . 4.53 1135 1098 A 14 THR HG2% A 68 VAL HA 1.0 . 4.85 1136 1099 A 7 ILE HD1% A 7 ILE HA 1.0 . 4.03 1137 1100 A 7 ILE HG1y A 7 ILE HA 1.0 . 3.36 1138 1101 A 7 ILE HG1x A 7 ILE HA 1.0 . 3.56 1139 1102 A 71 ARG HBx A 7 ILE HB 1.0 . 4.20 1140 1103 A 7 ILE HB A 71 ARG HDy 1.0 . 4.72 1141 1104 A 7 ILE HB A 8 SER HBx 1.0 . 4.47 1142 1105 A 72 ALA HA A 7 ILE HB 1.0 . 4.55 1143 1106 A 71 ARG HA A 7 ILE HB 1.0 . 5.52 1144 1107 A 7 ILE HG1y A 71 ARG HDy 1.0 . 5.08 1145 1108 A 7 ILE HG1x A 7 ILE HG2% 1.0 . 3.24 1146 1109 A 72 ALA HA A 7 ILE HG2% 1.0 . 4.99 1147 1110 A 8 SER H A 7 ILE HG2% 1.0 . 3.93 1148 1111 A 71 ARG HBx A 7 ILE HG2% 1.0 . 4.64 1149 1112 A 7 ILE HD1% A 7 ILE HB 1.0 . 3.06 1150 1113 A 7 ILE HD1% A 71 ARG HDy 1.0 . 3.76 1151 1114 A 72 ALA HA A 7 ILE HD1% 1.0 . 3.66 1152 1115 A 7 ILE HD1% A 8 SER H 1.0 . 4.70 1153 1116 A 7 ILE HD1% A 71 ARG HE 1.0 . 4.41 1154 1117 A 7 ILE HD1% A 72 ALA H 1.0 . 4.89 1155 1118 A 7 ILE HG2% A 8 SER HA 1.0 . 4.85 1156 1119 A 6 THR HG2% A 8 SER HA 1.0 . 4.07 1157 1120 A 8 SER HA A 9 PRO HDx 1.0 . 2.97 1158 1121 A 7 ILE HG1y A 8 SER HBy 1.0 . 6.00 1159 1122 A 7 ILE HB A 8 SER HBy 1.0 . 5.20 1160 1123 A 71 ARG HBx A 8 SER HBy 1.0 . 4.51 1161 1124 A 8 SER HBy A 9 PRO HGy 1.0 . 6.00 1162 1125 A 71 ARG HBy A 8 SER HBx 1.0 . 4.49 1163 1126 A 70 GLN HGx A 9 PRO HA 1.0 . 4.09 1164 1127 A 9 PRO HA A 10 GLY HAx 1.0 . 4.60 1165 1128 A 9 PRO HA A 70 GLN HA 1.0 . 4.23 1166 1129 A 9 PRO HA A 8 SER HA 1.0 . 4.71 1167 1130 A 16 PRO HA A 20 GLN HE2y 1.0 . 5.02 1168 1131 A 71 ARG H A 9 PRO HA 1.0 . 5.07 1169 1132 A 6 THR HG2% A 9 PRO HBx 1.0 . 4.95 1170 1133 A 8 SER HA A 9 PRO HGy 1.0 . 4.29 1171 1134 A 8 SER HA A 9 PRO HGx 1.0 . 5.03 1172 1135 A 8 SER H A 9 PRO HDy 1.0 . 5.11 1173 1136 A 6 THR HG2% A 9 PRO HDy 1.0 . 4.93 1174 1137 A 93 PRO HDx A 92 PRO HBx 1.0 . 3.73 1175 1138 A 8 SER H A 9 PRO HDx 1.0 . 5.01 1176 1139 A 10 GLY HAx A 70 GLN HB2 1.0 . 4.18 1177 1139 A 70 GLN HB3 A 10 GLY HAx 1.0 . 4.18 1178 1140 A 10 GLY HAx A 69 GLY HAx 1.0 . 4.34 1179 1141 A 10 GLY HAy A 70 GLN HB2 1.0 . 4.14 1180 1141 A 70 GLN HB3 A 10 GLY HAy 1.0 . 4.14 1181 1142 A 10 GLY HAy A 69 GLY HAx 1.0 . 4.29 1182 1143 A 67 SER H A 10 GLY HAy 1.0 . 5.25 1183 1144 A 13 ARG H A 11 ASP HA 1.0 . 4.80 1184 1145 A 10 GLY HAx A 11 ASP HA 1.0 . 4.73 1185 1146 A 11 ASP H A 12 GLY HAx 1.0 . 5.77 1186 1147 A 67 SER HBx A 12 GLY HAx 1.0 . 5.02 1187 1148 A 14 THR H A 13 ARG HBx 1.0 . 4.67 1188 1149 A 13 ARG HD3 A 13 ARG HBy 1.0 . 3.39 1189 1149 A 13 ARG HBy A 13 ARG HD2 1.0 . 3.39 1190 1150 A 13 ARG HA A 13 ARG HD2 1.0 . 4.33 1191 1150 A 13 ARG HD3 A 13 ARG HA 1.0 . 4.33 1192 1151 A 68 VAL HGy% A 14 THR HA 1.0 . 4.47 1193 1152 A 14 THR HA A 13 ARG HGy 1.0 . 4.76 1194 1153 A 68 VAL HB A 14 THR HA 1.0 . 5.17 1195 1154 A 68 VAL H A 14 THR HA 1.0 . 4.95 1196 1155 A 77 SER H A 77 SER HBy 1.0 . 3.95 1197 1156 A 14 THR HA A 15 PHE HA 1.0 . 4.88 1198 1157 A 67 SER HBx A 14 THR HB 1.0 . 5.15 1199 1158 A 67 SER HBy A 14 THR HB 1.0 . 4.92 1200 1159 A 14 THR HB A 15 PHE HA 1.0 . 5.28 1201 1160 A 11 ASP H A 14 THR HB 1.0 . 4.95 1202 1161 A 14 THR HB A 15 PHE H 1.0 . 5.24 1203 1162 A 70 GLN HGx A 6 THR HG2% 1.0 . 3.81 1204 1163 A 6 THR HG2% A 6 THR HA 1.0 . 3.13 1205 1164 A 6 THR HG2% A 70 GLN HE2y 1.0 . 3.68 1206 1165 A 6 THR HG2% A 70 GLN HE2x 1.0 . 3.91 1207 1166 A 14 THR HG2% A 15 PHE HBx 1.0 . 6.00 1208 1167 A 15 PHE HBx A 64 ALA HB% 1.0 . 5.53 1209 1168 A 15 PHE HBx A 16 PRO HGx 1.0 . 5.09 1210 1169 A 15 PHE HBx A 16 PRO HDy 1.0 . 4.02 1211 1170 A 15 PHE HBy A 16 PRO HDx 1.0 . 4.20 1212 1171 A 64 ALA H A 16 PRO HGy 1.0 . 5.28 1213 1172 A 15 PHE HA A 16 PRO HGy 1.0 . 4.58 1214 1173 A 15 PHE HBx A 16 PRO HGy 1.0 . 4.94 1215 1174 A 15 PHE HA A 16 PRO HGx 1.0 . 4.95 1216 1175 A 16 PRO HDx A 103 LEU HDy% 1.0 . 5.02 1217 1176 A 15 PHE HBx A 16 PRO HDx 1.0 . 3.90 1218 1177 A 15 PHE H A 16 PRO HDx 1.0 . 5.12 1219 1178 A 66 MET H A 16 PRO HDx 1.0 . 4.88 1220 1179 A 15 PHE HBy A 16 PRO HDy 1.0 . 4.74 1221 1180 A 66 MET H A 16 PRO HDy 1.0 . 5.25 1222 1181 A 40 ARG HA A 40 ARG HGx 1.0 . 4.12 1223 1182 A 18 ARG HA A 50 LEU HDx% 1.0 . 4.96 1224 1183 A 50 LEU HBy A 18 ARG HA 1.0 . 3.52 1225 1184 A 18 ARG HA A 18 ARG HGx 1.0 . 3.74 1226 1185 A 18 ARG HA A 20 GLN HG2 1.0 . 4.72 1227 1185 A 20 GLN HG3 A 18 ARG HA 1.0 . 4.72 1228 1186 A 18 ARG HA A 18 ARG HD2 1.0 . 4.34 1229 1186 A 18 ARG HD3 A 18 ARG HA 1.0 . 4.34 1230 1187 A 18 ARG HA A 19 GLY HAx 1.0 . 4.59 1231 1188 A 51 GLY H A 18 ARG HA 1.0 . 5.10 1232 1189 A 18 ARG HBy A 18 ARG HD2 1.0 . 3.54 1233 1189 A 18 ARG HD3 A 18 ARG HBy 1.0 . 3.54 1234 1190 A 18 ARG HBx A 19 GLY H 1.0 . 4.51 1235 1191 A 76 ILE HG2% A 76 ILE HG1y 1.0 . 3.59 1236 1192 A 18 ARG HA A 18 ARG HGy 1.0 . 3.74 1237 1193 A 76 ILE HG1y A 75 THR HA 1.0 . 4.49 1238 1194 A 18 ARG HGx A 51 GLY HAx 1.0 . 4.60 1239 1195 A 51 GLY HAy A 18 ARG HGx 1.0 . 4.60 1240 1196 A 18 ARG H A 18 ARG HGx 1.0 . 4.82 1241 1197 A 42 ARG HB2 A 42 ARG HDx 1.0 . 3.84 1242 1197 A 42 ARG HB3 A 42 ARG HDx 1.0 . 3.84 1243 1198 A 19 GLY HAx A 49 MET HG2 1.0 . 4.61 1244 1198 A 49 MET HG3 A 19 GLY HAx 1.0 . 4.61 1245 1199 A 91 ILE HA A 91 ILE HG1x 1.0 . 4.15 1246 1200 A 91 ILE HG2% A 91 ILE HA 1.0 . 3.25 1247 1201 A 91 ILE HA A 92 PRO HDx 1.0 . 3.42 1248 1202 A 91 ILE HA A 92 PRO HDy 1.0 . 3.35 1249 1203 A 20 GLN HBy A 21 THR H 1.0 . 3.85 1250 1204 A 20 GLN H A 20 GLN HBx 1.0 . 3.92 1251 1205 A 20 GLN HA A 20 GLN HG2 1.0 . 3.42 1252 1205 A 20 GLN HG3 A 20 GLN HA 1.0 . 3.42 1253 1206 A 21 THR H A 20 GLN HG2 1.0 . 4.37 1254 1206 A 20 GLN HG3 A 21 THR H 1.0 . 4.37 1255 1207 A 21 THR HB A 107 GLU HBy 1.0 . 3.73 1256 1208 A 21 THR HB A 107 GLU HBx 1.0 . 3.64 1257 1209 A 21 THR HB A 22 CYS HA 1.0 . 4.51 1258 1210 A 20 GLN HBx A 21 THR HB 1.0 . 5.38 1259 1211 A 21 THR HB A 48 PHE H 1.0 . 5.40 1260 1212 A 21 THR HG2% A 21 THR HA 1.0 . 3.08 1261 1213 A 98 VAL HA A 98 VAL HGy% 1.0 . 3.12 1262 1214 A 107 GLU H A 22 CYS HA 1.0 . 4.78 1263 1215 A 75 THR H A 74 LEU HG 1.0 . 5.35 1264 1216 A 23 VAL H A 22 CYS HBx 1.0 . 4.74 1265 1217 A 23 VAL HA A 45 PRO HB2 1.0 . 4.25 1266 1217 A 23 VAL HA A 45 PRO HB3 1.0 . 4.25 1267 1218 A 45 PRO HGy A 23 VAL HA 1.0 . 5.82 1268 1219 A 104 LEU HBx A 23 VAL HB 1.0 . 3.70 1269 1220 A 23 VAL HGx% A 45 PRO HB2 1.0 . 2.74 1270 1220 A 23 VAL HGx% A 45 PRO HB3 1.0 . 2.74 1271 1221 A 23 VAL HGx% A 45 PRO HGx 1.0 . 2.93 1272 1222 A 23 VAL HGx% A 45 PRO HGy 1.0 . 3.05 1273 1223 A 23 VAL HGx% A 23 VAL HA 1.0 . 3.14 1274 1224 A 23 VAL H A 23 VAL HGx% 1.0 . 3.99 1275 1225 A 23 VAL HGy% A 22 CYS HA 1.0 . 3.90 1276 1226 A 106 LEU HA A 23 VAL HGy% 1.0 . 4.11 1277 1227 A 21 THR HB A 23 VAL HGy% 1.0 . 4.63 1278 1228 A 24 VAL HA A 23 VAL HGx% 1.0 . 3.69 1279 1229 A 24 VAL HA A 24 VAL HGy% 1.0 . 3.81 1280 1230 A 104 LEU HBx A 24 VAL HA 1.0 . 4.20 1281 1231 A 104 LEU HG A 24 VAL HA 1.0 . 3.65 1282 1232 A 24 VAL HA A 23 VAL HB 1.0 . 4.96 1283 1233 A 24 VAL HA A 25 HIS HBx 1.0 . 5.64 1284 1234 A 24 VAL HA A 25 HIS HBy 1.0 . 4.89 1285 1235 A 24 VAL HA A 104 LEU HA 1.0 . 5.10 1286 1236 A 24 VAL HA A 103 LEU HA 1.0 . 4.00 1287 1237 A 24 VAL HA A 23 VAL H 1.0 . 5.70 1288 1238 A 24 VAL HB A 101 VAL HGy% 1.0 . 3.75 1289 1239 A 24 VAL HB A 26 TYR HBy 1.0 . 6.00 1290 1240 A 24 VAL HB A 103 LEU HA 1.0 . 4.61 1291 1241 A 24 VAL HB A 101 VAL HA 1.0 . 4.99 1292 1242 A 103 LEU HA A 24 VAL HGx% 1.0 . 4.27 1293 1243 A 24 VAL HA A 24 VAL HGx% 1.0 . 3.81 1294 1244 A 48 PHE HE% A 24 VAL HGx% 1.0 . 3.56 1295 1245 A 25 HIS H A 24 VAL HGx% 1.0 . 3.98 1296 1246 A 93 PRO HA A 95 ALA HB% 1.0 . 4.55 1297 1247 A 103 LEU HA A 24 VAL HGy% 1.0 . 4.27 1298 1248 A 104 LEU HDx% A 25 HIS HA 1.0 . 4.61 1299 1249 A 25 HIS HA A 40 ARG HGy 1.0 . 6.00 1300 1250 A 25 HIS HA A 45 PRO HB2 1.0 . 5.11 1301 1250 A 25 HIS HA A 45 PRO HB3 1.0 . 5.11 1302 1251 A 25 HIS HA A 24 VAL HB 1.0 . 5.46 1303 1252 A 46 PHE HBy A 25 HIS HA 1.0 . 5.64 1304 1253 A 25 HIS HA A 39 SER HBx 1.0 . 5.12 1305 1254 A 25 HIS HA A 39 SER HA 1.0 . 6.00 1306 1255 A 25 HIS HA A 39 SER HBy 1.0 . 5.12 1307 1256 A 25 HIS HA A 25 HIS HD2 1.0 . 5.14 1308 1257 A 25 HIS HA A 39 SER HG 1.0 . 4.59 1309 1258 A 25 HIS HBy A 40 ARG HGy 1.0 . 6.00 1310 1259 A 25 HIS HBy A 102 GLU HBy 1.0 . 5.26 1311 1260 A 25 HIS HBy A 24 VAL HB 1.0 . 5.08 1312 1261 A 25 HIS HBy A 40 ARG HA 1.0 . 6.00 1313 1262 A 25 HIS HBy A 101 VAL HA 1.0 . 6.00 1314 1263 A 26 TYR H A 25 HIS HBy 1.0 . 5.30 1315 1264 A 104 LEU HDx% A 25 HIS HBx 1.0 . 4.63 1316 1265 A 25 HIS HBx A 40 ARG HGy 1.0 . 4.87 1317 1266 A 101 VAL HA A 25 HIS HBx 1.0 . 6.00 1318 1267 A 26 TYR HA A 101 VAL HB 1.0 . 5.33 1319 1268 A 24 VAL HB A 26 TYR HA 1.0 . 5.88 1320 1269 A 26 TYR HA A 27 THR HB 1.0 . 5.23 1321 1270 A 25 HIS HA A 26 TYR HA 1.0 . 5.40 1322 1271 A 26 TYR HA A 59 TRP HZ2 1.0 . 5.37 1323 1272 A 102 GLU H A 26 TYR HBy 1.0 . 5.14 1324 1273 A 101 VAL HA A 26 TYR HBx 1.0 . 4.80 1325 1274 A 7 ILE H A 71 ARG HDx 1.0 . 5.73 1326 1275 A 28 GLY H A 26 TYR HBx 1.0 . 5.98 1327 1276 A 100 ASP HBx A 27 THR HB 1.0 . 4.18 1328 1277 A 100 ASP HA A 27 THR HB 1.0 . 5.76 1329 1278 A 99 PHE HA A 27 THR HB 1.0 . 5.41 1330 1279 A 26 TYR HD% A 27 THR HB 1.0 . 5.52 1331 1280 A 28 GLY H A 27 THR HB 1.0 . 5.47 1332 1281 A 27 THR HG2% A 27 THR HA 1.0 . 3.22 1333 1282 A 27 THR HG2% A 38 SER HBx 1.0 . 4.06 1334 1283 A 28 GLY HAy A 36 PHE HZ 1.0 . 4.67 1335 1284 A 28 GLY HAx A 97 LEU HDx% 1.0 . 5.92 1336 1285 A 27 THR HG2% A 28 GLY HAx 1.0 . 5.16 1337 1286 A 28 GLY HAx A 97 LEU HDy% 1.0 . 5.92 1338 1287 A 28 GLY HAx A 29 MET HE% 1.0 . 5.58 1339 1288 A 28 GLY HAx A 27 THR HA 1.0 . 5.14 1340 1289 A 29 MET HA A 28 GLY HAx 1.0 . 5.56 1341 1290 A 27 THR H A 28 GLY HAx 1.0 . 5.25 1342 1291 A 27 THR HG2% A 29 MET HBy 1.0 . 4.88 1343 1292 A 36 PHE HD% A 29 MET HBy 1.0 . 6.00 1344 1293 A 33 GLY H A 29 MET HBy 1.0 . 5.67 1345 1294 A 30 LEU H A 29 MET HBy 1.0 . 4.45 1346 1295 A 98 VAL H A 29 MET HBy 1.0 . 5.24 1347 1296 A 27 THR HG2% A 29 MET HBx 1.0 . 5.30 1348 1297 A 33 GLY HAy A 29 MET HBx 1.0 . 4.95 1349 1298 A 28 GLY HAy A 29 MET HBx 1.0 . 5.74 1350 1299 A 33 GLY HAx A 29 MET HBx 1.0 . 4.88 1351 1300 A 33 GLY H A 29 MET HBx 1.0 . 5.54 1352 1301 A 98 VAL H A 29 MET HBx 1.0 . 5.13 1353 1302 A 36 PHE H A 29 MET HGx 1.0 . 4.94 1354 1303 A 29 MET H A 29 MET HGx 1.0 . 4.63 1355 1304 A 29 MET HGy A 29 MET HE% 1.0 . 3.15 1356 1305 A 29 MET H A 29 MET HGy 1.0 . 4.94 1357 1306 A 27 THR HG2% A 29 MET HE% 1.0 . 3.23 1358 1307 A 29 MET HE% A 27 THR HB 1.0 . 3.74 1359 1308 A 29 MET HA A 29 MET HE% 1.0 . 4.38 1360 1309 A 100 ASP H A 29 MET HE% 1.0 . 3.71 1361 1310 A 29 MET H A 29 MET HE% 1.0 . 3.97 1362 1311 A 30 LEU HBy A 36 PHE HD% 1.0 . 5.11 1363 1312 A 30 LEU HBy A 31 GLU H 1.0 . 3.98 1364 1313 A 29 MET HA A 30 LEU HBy 1.0 . 4.98 1365 1314 A 30 LEU HBy A 31 GLU HA 1.0 . 5.76 1366 1315 A 30 LEU HBx A 30 LEU HDx% 1.0 . 3.40 1367 1316 A 29 MET HA A 30 LEU HBx 1.0 . 5.79 1368 1317 A 30 LEU HBx A 31 GLU HA 1.0 . 5.08 1369 1318 A 30 LEU HBx A 36 PHE HD% 1.0 . 5.52 1370 1319 A 29 MET HA A 30 LEU HG 1.0 . 5.24 1371 1320 A 36 PHE HE% A 30 LEU HG 1.0 . 5.54 1372 1321 A 30 LEU HG A 31 GLU H 1.0 . 4.91 1373 1322 A 30 LEU HBy A 30 LEU HDx% 1.0 . 3.42 1374 1323 A 36 PHE HBx A 30 LEU HDx% 1.0 . 4.73 1375 1324 A 30 LEU H A 30 LEU HDx% 1.0 . 4.29 1376 1325 A 30 LEU HBx A 30 LEU HDy% 1.0 . 3.40 1377 1326 A 30 LEU HBy A 30 LEU HDy% 1.0 . 3.42 1378 1327 A 31 GLU HA A 31 GLU HG2 1.0 . 3.22 1379 1327 A 31 GLU HA A 31 GLU HG3 1.0 . 3.22 1380 1328 A 31 GLU H A 31 GLU HBy 1.0 . 3.67 1381 1329 A 64 ALA HB% A 61 GLU HBx 1.0 . 5.54 1382 1330 A 64 ALA HB% A 65 GLN HBy 1.0 . 6.00 1383 1331 A 31 GLU H A 31 GLU HG2 1.0 . 3.60 1384 1331 A 31 GLU H A 31 GLU HG3 1.0 . 3.60 1385 1332 A 32 ASP H A 31 GLU HG2 1.0 . 4.31 1386 1332 A 32 ASP H A 31 GLU HG3 1.0 . 4.31 1387 1333 A 21 THR H A 107 GLU HBy 1.0 . 4.89 1388 1334 A 30 LEU HG A 36 PHE HA 1.0 . 6.00 1389 1335 A 36 PHE HBx A 30 LEU HG 1.0 . 4.52 1390 1336 A 68 VAL HGy% A 67 SER HA 1.0 . 4.19 1391 1337 A 15 PHE HA A 67 SER HA 1.0 . 3.69 1392 1338 A 67 SER HA A 16 PRO HDx 1.0 . 4.66 1393 1339 A 37 ASP HBy A 90 ILE HG2% 1.0 . 5.35 1394 1340 A 37 ASP HBx A 36 PHE HD% 1.0 . 4.17 1395 1341 A 27 THR HG2% A 38 SER HBy 1.0 . 4.06 1396 1342 A 25 HIS HE1 A 40 ARG HBy 1.0 . 5.94 1397 1343 A 25 HIS HBx A 40 ARG HBx 1.0 . 4.53 1398 1344 A 40 ARG HBy A 40 ARG HDx 1.0 . 3.94 1399 1345 A 99 PHE HBx A 98 VAL HA 1.0 . 4.59 1400 1346 A 100 ASP H A 99 PHE HBx 1.0 . 4.44 1401 1347 A 100 ASP HBy A 27 THR HB 1.0 . 4.08 1402 1348 A 107 GLU HGy A 107 GLU HA 1.0 . 3.64 1403 1349 A 21 THR HB A 107 GLU HA 1.0 . 4.98 1404 1350 A 106 LEU HA A 107 GLU HA 1.0 . 4.46 1405 1351 A 42 ARG HGx A 41 ASP HBy 1.0 . 5.19 1406 1352 A 42 ARG HGx A 41 ASP HBx 1.0 . 5.19 1407 1353 A 42 ARG HGx A 42 ARG HA 1.0 . 3.37 1408 1354 A 42 ARG HA A 42 ARG HB2 1.0 . 3.02 1409 1354 A 42 ARG HB3 A 42 ARG HA 1.0 . 3.02 1410 1355 A 99 PHE H A 74 LEU HG 1.0 . 6.00 1411 1356 A 42 ARG HB3 A 42 ARG HDy 1.0 . 3.84 1412 1356 A 42 ARG HDy A 42 ARG HB2 1.0 . 3.84 1413 1357 A 104 LEU HDx% A 45 PRO HA 1.0 . 3.99 1414 1358 A 46 PHE HBx A 45 PRO HA 1.0 . 5.02 1415 1359 A 46 PHE HBy A 45 PRO HA 1.0 . 5.09 1416 1360 A 46 PHE HA A 45 PRO HA 1.0 . 4.41 1417 1361 A 25 HIS HA A 45 PRO HA 1.0 . 4.64 1418 1362 A 24 VAL H A 45 PRO HA 1.0 . 5.29 1419 1363 A 23 VAL HB A 45 PRO HB2 1.0 . 4.70 1420 1363 A 23 VAL HB A 45 PRO HB3 1.0 . 4.70 1421 1364 A 25 HIS HBy A 45 PRO HB2 1.0 . 5.28 1422 1364 A 25 HIS HBy A 45 PRO HB3 1.0 . 5.28 1423 1365 A 46 PHE HBx A 45 PRO HB2 1.0 . 5.22 1424 1365 A 46 PHE HBx A 45 PRO HB3 1.0 . 5.22 1425 1366 A 24 VAL HA A 45 PRO HB2 1.0 . 5.40 1426 1366 A 24 VAL HA A 45 PRO HB3 1.0 . 5.40 1427 1367 A 25 HIS HE1 A 45 PRO HB2 1.0 . 5.13 1428 1367 A 25 HIS HE1 A 45 PRO HB3 1.0 . 5.13 1429 1368 A 24 VAL H A 45 PRO HB2 1.0 . 4.67 1430 1368 A 24 VAL H A 45 PRO HB3 1.0 . 4.67 1431 1369 A 46 PHE H A 45 PRO HGx 1.0 . 5.54 1432 1370 A 104 LEU HDx% A 45 PRO HDx 1.0 . 5.41 1433 1371 A 25 HIS HE1 A 45 PRO HDx 1.0 . 4.96 1434 1372 A 23 VAL HGx% A 45 PRO HDy 1.0 . 4.89 1435 1373 A 25 HIS HE1 A 45 PRO HDy 1.0 . 5.26 1436 1374 A 46 PHE HA A 46 PHE HD% 1.0 . 3.09 1437 1375 A 26 TYR HE% A 46 PHE HA 1.0 . 4.85 1438 1376 A 46 PHE HA A 46 PHE HE% 1.0 . 4.85 1439 1377 A 24 VAL H A 46 PHE HBy 1.0 . 5.54 1440 1378 A 55 VAL HB A 59 TRP HB2 1.0 . 3.93 1441 1378 A 55 VAL HB A 59 TRP HB3 1.0 . 3.93 1442 1379 A 56 ILE HG1x A 59 TRP HB2 1.0 . 3.63 1443 1379 A 56 ILE HG1x A 59 TRP HB3 1.0 . 3.63 1444 1380 A 60 GLU HA A 50 LEU HDx% 1.0 . 4.32 1445 1381 A 50 LEU HA A 50 LEU HDx% 1.0 . 3.75 1446 1382 A 51 GLY H A 50 LEU HDx% 1.0 . 4.98 1447 1383 A 50 LEU HG A 18 ARG HA 1.0 . 4.71 1448 1384 A 60 GLU HA A 50 LEU HG 1.0 . 4.61 1449 1385 A 46 PHE HE% A 48 PHE HBy 1.0 . 4.23 1450 1386 A 48 PHE HBy A 46 PHE HD% 1.0 . 5.25 1451 1387 A 59 TRP HE3 A 48 PHE HBy 1.0 . 6.00 1452 1388 A 48 PHE HBy A 59 TRP HZ3 1.0 . 6.00 1453 1389 A 50 LEU HA A 48 PHE HBy 1.0 . 6.00 1454 1390 A 48 PHE HBy A 54 GLU HA 1.0 . 6.00 1455 1391 A 48 PHE HBx A 46 PHE HE% 1.0 . 4.12 1456 1392 A 48 PHE HBx A 46 PHE HD% 1.0 . 5.20 1457 1393 A 48 PHE HBx A 49 MET H 1.0 . 4.29 1458 1394 A 48 PHE HBx A 54 GLU HBx 1.0 . 4.90 1459 1395 A 19 GLY HAy A 49 MET HG2 1.0 . 3.86 1460 1395 A 49 MET HG3 A 19 GLY HAy 1.0 . 3.86 1461 1396 A 20 GLN H A 49 MET HG2 1.0 . 4.61 1462 1396 A 20 GLN H A 49 MET HG3 1.0 . 4.61 1463 1397 A 19 GLY H A 49 MET HG2 1.0 . 4.06 1464 1397 A 19 GLY H A 49 MET HG3 1.0 . 4.06 1465 1398 A 54 GLU HA A 54 GLU HG2 1.0 . 3.06 1466 1398 A 54 GLU HG3 A 54 GLU HA 1.0 . 3.06 1467 1399 A 104 LEU HA A 69 GLY HAy 1.0 . 4.20 1468 1400 A 50 LEU HA A 49 MET HA 1.0 . 4.82 1469 1401 A 103 LEU HA A 104 LEU HA 1.0 . 5.19 1470 1402 A 48 PHE HD% A 50 LEU HA 1.0 . 3.76 1471 1403 A 50 LEU HBy A 19 GLY HAx 1.0 . 5.70 1472 1404 A 50 LEU HBy A 48 PHE HE% 1.0 . 4.97 1473 1405 A 50 LEU HBx A 48 PHE HE% 1.0 . 5.59 1474 1406 A 20 GLN H A 50 LEU HBx 1.0 . 5.54 1475 1407 A 19 GLY H A 50 LEU HBx 1.0 . 3.93 1476 1408 A 50 LEU HBx A 20 GLN HG2 1.0 . 6.00 1477 1408 A 20 GLN HG3 A 50 LEU HBx 1.0 . 6.00 1478 1409 A 50 LEU HBx A 50 LEU HDy% 1.0 . 3.35 1479 1410 A 50 LEU HBy A 50 LEU HDy% 1.0 . 3.25 1480 1411 A 18 ARG HA A 50 LEU HDy% 1.0 . 4.96 1481 1412 A 50 LEU HA A 50 LEU HDy% 1.0 . 3.75 1482 1413 A 50 LEU H A 50 LEU HDy% 1.0 . 4.05 1483 1414 A 18 ARG HD3 A 51 GLY HAy 1.0 . 5.12 1484 1414 A 51 GLY HAy A 18 ARG HD2 1.0 . 5.12 1485 1415 A 53 GLN H A 51 GLY HAy 1.0 . 5.15 1486 1416 A 18 ARG HGy A 51 GLY HAx 1.0 . 4.60 1487 1417 A 60 GLU HBx A 51 GLY HAx 1.0 . 6.00 1488 1418 A 18 ARG HD3 A 51 GLY HAx 1.0 . 5.12 1489 1418 A 18 ARG HD2 A 51 GLY HAx 1.0 . 5.12 1490 1419 A 53 GLN H A 51 GLY HAx 1.0 . 5.15 1491 1420 A 55 VAL HGy% A 53 GLN HA 1.0 . 4.68 1492 1421 A 51 GLY H A 53 GLN HA 1.0 . 5.30 1493 1422 A 53 GLN H A 53 GLN HGx 1.0 . 4.13 1494 1423 A 53 GLN H A 53 GLN HGy 1.0 . 4.13 1495 1424 A 55 VAL HGx% A 54 GLU HA 1.0 . 4.81 1496 1425 A 55 VAL HGy% A 50 LEU HA 1.0 . 5.01 1497 1426 A 55 VAL HGx% A 54 GLU HG2 1.0 . 4.64 1498 1426 A 55 VAL HGx% A 54 GLU HG3 1.0 . 4.64 1499 1427 A 55 VAL H A 54 GLU HG2 1.0 . 4.42 1500 1427 A 55 VAL H A 54 GLU HG3 1.0 . 4.42 1501 1428 A 55 VAL HA A 56 ILE HA 1.0 . 4.40 1502 1429 A 56 ILE HG1x A 55 VAL HA 1.0 . 5.48 1503 1430 A 56 ILE HG2% A 55 VAL HA 1.0 . 4.10 1504 1431 A 55 VAL HB A 46 PHE HE% 1.0 . 5.20 1505 1432 A 55 VAL HGx% A 54 GLU HBy 1.0 . 4.22 1506 1433 A 55 VAL HGx% A 48 PHE HBy 1.0 . 3.73 1507 1434 A 55 VAL HGx% A 55 VAL H 1.0 . 3.78 1508 1435 A 55 VAL HGx% A 46 PHE HE% 1.0 . 3.15 1509 1436 A 55 VAL HGx% A 56 ILE H 1.0 . 3.90 1510 1437 A 48 PHE HBx A 55 VAL HGx% 1.0 . 3.60 1511 1438 A 55 VAL HGy% A 56 ILE HG1y 1.0 . 4.67 1512 1439 A 55 VAL HGy% A 50 LEU HDx% 1.0 . 4.73 1513 1440 A 55 VAL HGy% A 60 GLU HGx 1.0 . 3.54 1514 1441 A 55 VAL HGy% A 59 TRP HB2 1.0 . 3.30 1515 1441 A 55 VAL HGy% A 59 TRP HB3 1.0 . 3.30 1516 1442 A 55 VAL HGy% A 55 VAL HA 1.0 . 3.86 1517 1443 A 49 MET H A 55 VAL HGy% 1.0 . 5.70 1518 1444 A 55 VAL HGy% A 56 ILE HA 1.0 . 4.65 1519 1445 A 56 ILE HD1% A 56 ILE HA 1.0 . 4.28 1520 1446 A 56 ILE HG1x A 56 ILE HA 1.0 . 4.05 1521 1447 A 55 VAL HB A 56 ILE HA 1.0 . 4.89 1522 1448 A 57 ARG HBy A 56 ILE HA 1.0 . 4.61 1523 1449 A 56 ILE HA A 58 GLY H 1.0 . 4.89 1524 1450 A 56 ILE HA A 59 TRP HB2 1.0 . 4.74 1525 1450 A 56 ILE HA A 59 TRP HB3 1.0 . 4.74 1526 1451 A 56 ILE HG2% A 56 ILE HA 1.0 . 2.99 1527 1452 A 56 ILE HB A 81 ALA HB% 1.0 . 4.43 1528 1453 A 56 ILE HG2% A 56 ILE HG1x 1.0 . 3.58 1529 1454 A 56 ILE HG2% A 81 ALA HB% 1.0 . 3.66 1530 1455 A 56 ILE HG2% A 59 TRP HB2 1.0 . 4.48 1531 1455 A 56 ILE HG2% A 59 TRP HB3 1.0 . 4.48 1532 1456 A 56 ILE HG2% A 81 ALA HA 1.0 . 3.43 1533 1457 A 56 ILE HG2% A 82 TYR HE% 1.0 . 3.89 1534 1458 A 56 ILE HG2% A 59 TRP H 1.0 . 4.78 1535 1459 A 56 ILE HG2% A 56 ILE HD1% 1.0 . 2.99 1536 1460 A 56 ILE HD1% A 81 ALA HB% 1.0 . 3.08 1537 1461 A 56 ILE HD1% A 56 ILE HB 1.0 . 3.30 1538 1462 A 56 ILE HD1% A 76 ILE HB 1.0 . 3.65 1539 1463 A 56 ILE HD1% A 59 TRP HB2 1.0 . 3.64 1540 1463 A 56 ILE HD1% A 59 TRP HB3 1.0 . 3.64 1541 1464 A 56 ILE HD1% A 81 ALA HA 1.0 . 3.22 1542 1465 A 56 ILE HD1% A 82 TYR HE% 1.0 . 4.86 1543 1466 A 56 ILE H A 56 ILE HD1% 1.0 . 3.71 1544 1467 A 56 ILE HD1% A 99 PHE HE% 1.0 . 3.65 1545 1468 A 56 ILE HD1% A 58 GLY H 1.0 . 4.28 1546 1469 A 57 ARG HGx A 57 ARG HA 1.0 . 3.92 1547 1470 A 57 ARG HA A 57 ARG HGy 1.0 . 3.60 1548 1471 A 57 ARG HA A 60 GLU HGy 1.0 . 4.13 1549 1472 A 57 ARG HDy A 57 ARG HA 1.0 . 4.69 1550 1473 A 59 TRP H A 57 ARG HA 1.0 . 5.02 1551 1474 A 57 ARG HA A 61 GLU H 1.0 . 4.37 1552 1475 A 80 TYR HD% A 57 ARG HA 1.0 . 5.29 1553 1476 A 55 VAL HGy% A 57 ARG HA 1.0 . 4.94 1554 1477 A 2 VAL HGx% A 57 ARG HBx 1.0 . 6.00 1555 1478 A 56 ILE HD1% A 57 ARG HBx 1.0 . 6.00 1556 1479 A 57 ARG HBx A 76 ILE HD1% 1.0 . 6.00 1557 1480 A 57 ARG HBx A 80 TYR HBx 1.0 . 5.01 1558 1481 A 57 ARG HBx A 56 ILE HA 1.0 . 5.39 1559 1482 A 57 ARG HBx A 80 TYR H 1.0 . 6.00 1560 1483 A 57 ARG HBx A 81 ALA H 1.0 . 6.00 1561 1484 A 57 ARG HBx A 59 TRP H 1.0 . 5.88 1562 1485 A 104 LEU HDx% A 45 PRO HGx 1.0 . 3.46 1563 1486 A 57 ARG HGx A 58 GLY H 1.0 . 5.15 1564 1487 A 57 ARG H A 57 ARG HGy 1.0 . 4.33 1565 1488 A 57 ARG HBx A 57 ARG HDx 1.0 . 3.83 1566 1489 A 57 ARG HBy A 57 ARG HDx 1.0 . 3.94 1567 1490 A 80 TYR HA A 57 ARG HDx 1.0 . 4.84 1568 1491 A 57 ARG HA A 57 ARG HDx 1.0 . 4.80 1569 1492 A 80 TYR HD% A 57 ARG HDx 1.0 . 5.12 1570 1493 A 58 GLY H A 57 ARG HDx 1.0 . 5.49 1571 1494 A 57 ARG HBy A 57 ARG HDy 1.0 . 3.48 1572 1495 A 57 ARG HDy A 80 TYR HA 1.0 . 5.06 1573 1496 A 57 ARG HDy A 80 TYR HD% 1.0 . 4.73 1574 1497 A 80 TYR HBx A 58 GLY HAy 1.0 . 4.24 1575 1498 A 83 GLY HAy A 82 TYR HA 1.0 . 5.23 1576 1499 A 60 GLU H A 58 GLY HAy 1.0 . 5.44 1577 1500 A 58 GLY HAy A 65 GLN HE2y 1.0 . 6.00 1578 1501 A 59 TRP HA A 58 GLY HAy 1.0 . 5.01 1579 1502 A 60 GLU HA A 59 TRP HA 1.0 . 5.78 1580 1503 A 76 ILE HD1% A 59 TRP HB2 1.0 . 4.50 1581 1503 A 76 ILE HD1% A 59 TRP HB3 1.0 . 4.50 1582 1504 A 56 ILE HB A 59 TRP HB2 1.0 . 4.52 1583 1504 A 56 ILE HB A 59 TRP HB3 1.0 . 4.52 1584 1505 A 57 ARG H A 59 TRP HB2 1.0 . 6.00 1585 1505 A 57 ARG H A 59 TRP HB3 1.0 . 6.00 1586 1506 A 58 GLY H A 59 TRP HB2 1.0 . 5.38 1587 1506 A 58 GLY H A 59 TRP HB3 1.0 . 5.38 1588 1507 A 55 VAL HGy% A 60 GLU HA 1.0 . 4.09 1589 1508 A 60 GLU HA A 50 LEU HDy% 1.0 . 4.32 1590 1509 A 60 GLU HA A 64 ALA HB% 1.0 . 5.35 1591 1510 A 60 GLU HA A 59 TRP HB2 1.0 . 4.65 1592 1510 A 59 TRP HB3 A 60 GLU HA 1.0 . 4.65 1593 1511 A 60 GLU HA A 61 GLU HA 1.0 . 4.88 1594 1512 A 59 TRP H A 60 GLU HA 1.0 . 5.52 1595 1513 A 60 GLU HA A 62 GLY H 1.0 . 4.93 1596 1514 A 55 VAL HGy% A 60 GLU HBy 1.0 . 4.24 1597 1515 A 59 TRP H A 60 GLU HBy 1.0 . 5.21 1598 1516 A 60 GLU HBy A 48 PHE HE% 1.0 . 5.85 1599 1517 A 60 GLU HBy A 59 TRP HB2 1.0 . 4.76 1600 1517 A 59 TRP HB3 A 60 GLU HBy 1.0 . 4.76 1601 1518 A 55 VAL HGy% A 60 GLU HBx 1.0 . 4.54 1602 1519 A 60 GLU HBx A 60 GLU H 1.0 . 3.82 1603 1520 A 60 GLU HBx A 61 GLU H 1.0 . 4.25 1604 1521 A 60 GLU HGx A 61 GLU H 1.0 . 4.97 1605 1522 A 60 GLU HGx A 59 TRP H 1.0 . 5.39 1606 1523 A 51 GLY H A 60 GLU HGx 1.0 . 5.21 1607 1524 A 60 GLU HGx A 50 LEU HA 1.0 . 4.76 1608 1525 A 55 VAL HGy% A 60 GLU HGy 1.0 . 3.72 1609 1526 A 57 ARG HGy A 60 GLU HGy 1.0 . 5.21 1610 1527 A 60 GLU HGy A 59 TRP HB2 1.0 . 4.69 1611 1527 A 59 TRP HB3 A 60 GLU HGy 1.0 . 4.69 1612 1528 A 60 GLU HGy A 48 PHE HE% 1.0 . 5.14 1613 1529 A 61 GLU H A 60 GLU HGy 1.0 . 4.70 1614 1530 A 2 VAL HGx% A 61 GLU HA 1.0 . 4.89 1615 1531 A 61 GLU HA A 61 GLU HGx 1.0 . 3.84 1616 1532 A 64 ALA H A 61 GLU HA 1.0 . 4.11 1617 1533 A 74 LEU HG A 62 GLY HAy 1.0 . 5.71 1618 1534 A 61 GLU HBy A 62 GLY HAy 1.0 . 4.68 1619 1535 A 62 GLY HAx A 74 LEU HG 1.0 . 5.17 1620 1536 A 61 GLU HBy A 62 GLY HAx 1.0 . 4.94 1621 1537 A 62 GLY HAx A 61 GLU HBx 1.0 . 5.68 1622 1538 A 62 GLY HAx A 65 GLN HBy 1.0 . 5.99 1623 1539 A 62 GLY HAx A 65 GLN HGx 1.0 . 6.00 1624 1540 A 59 TRP HA A 62 GLY HAx 1.0 . 5.16 1625 1541 A 101 VAL HGy% A 63 VAL HA 1.0 . 4.42 1626 1542 A 63 VAL HA A 63 VAL HGy% 1.0 . 3.35 1627 1543 A 66 MET HGy A 63 VAL HA 1.0 . 3.66 1628 1544 A 63 VAL HA A 48 PHE HZ 1.0 . 5.43 1629 1545 A 66 MET H A 63 VAL HA 1.0 . 3.98 1630 1546 A 64 ALA HB% A 63 VAL HA 1.0 . 5.07 1631 1547 A 63 VAL HB A 101 VAL HGy% 1.0 . 4.57 1632 1548 A 64 ALA H A 63 VAL HB 1.0 . 4.15 1633 1549 A 20 GLN HBx A 20 GLN HE2x 1.0 . 4.61 1634 1550 A 64 ALA HA A 63 VAL HGy% 1.0 . 4.62 1635 1551 A 64 ALA HA A 16 PRO HGx 1.0 . 4.04 1636 1552 A 64 ALA HA A 16 PRO HGy 1.0 . 3.52 1637 1553 A 16 PRO HDy A 64 ALA HA 1.0 . 5.02 1638 1554 A 15 PHE HA A 64 ALA HA 1.0 . 5.87 1639 1555 A 64 ALA HB% A 50 LEU HDx% 1.0 . 4.10 1640 1556 A 64 ALA HB% A 50 LEU HDy% 1.0 . 4.10 1641 1557 A 64 ALA HB% A 61 GLU HA 1.0 . 3.39 1642 1558 A 64 ALA HB% A 16 PRO HGy 1.0 . 4.15 1643 1559 A 65 GLN H A 65 GLN HBx 1.0 . 3.83 1644 1560 A 62 GLY HAy A 65 GLN HGx 1.0 . 4.78 1645 1561 A 66 MET H A 65 GLN HGx 1.0 . 5.13 1646 1562 A 65 GLN HGy A 65 GLN HA 1.0 . 3.69 1647 1563 A 62 GLY HAy A 65 GLN HGy 1.0 . 4.66 1648 1564 A 65 GLN HGy A 4 VAL HGy% 1.0 . 5.35 1649 1565 A 62 GLY H A 65 GLN HGy 1.0 . 5.38 1650 1566 A 66 MET HA A 66 MET HGy 1.0 . 3.94 1651 1567 A 63 VAL HA A 66 MET HBx 1.0 . 5.03 1652 1568 A 65 GLN H A 66 MET HBx 1.0 . 5.72 1653 1569 A 66 MET H A 66 MET HBx 1.0 . 4.00 1654 1570 A 67 SER H A 66 MET HBx 1.0 . 4.61 1655 1571 A 66 MET HBy A 63 VAL HA 1.0 . 4.46 1656 1572 A 66 MET HGy A 67 SER H 1.0 . 5.17 1657 1573 A 66 MET HGy A 103 LEU H 1.0 . 6.00 1658 1574 A 66 MET HGy A 65 GLN HA 1.0 . 5.77 1659 1575 A 101 VAL HGy% A 66 MET HE% 1.0 . 2.95 1660 1576 A 72 ALA HB% A 66 MET HE% 1.0 . 3.28 1661 1577 A 66 MET HE% A 66 MET HBx 1.0 . 2.84 1662 1578 A 71 ARG HA A 66 MET HE% 1.0 . 3.65 1663 1579 A 66 MET HGy A 66 MET HE% 1.0 . 3.59 1664 1580 A 70 GLN HGx A 66 MET HE% 1.0 . 4.15 1665 1581 A 67 SER HBy A 12 GLY HAx 1.0 . 4.98 1666 1582 A 68 VAL HB A 67 SER HBy 1.0 . 5.27 1667 1583 A 67 SER HBy A 14 THR HG2% 1.0 . 5.57 1668 1584 A 67 SER HBy A 68 VAL HA 1.0 . 6.00 1669 1585 A 67 SER HBy A 15 PHE HD% 1.0 . 5.23 1670 1586 A 67 SER HBx A 68 VAL HGy% 1.0 . 5.59 1671 1587 A 14 THR HG2% A 67 SER HBx 1.0 . 6.00 1672 1588 A 13 ARG HGx A 67 SER HBx 1.0 . 6.00 1673 1589 A 68 VAL HB A 67 SER HBx 1.0 . 5.83 1674 1590 A 67 SER HBx A 15 PHE HBx 1.0 . 6.00 1675 1591 A 67 SER HBx A 68 VAL HA 1.0 . 6.00 1676 1592 A 67 SER HBx A 12 GLY HAy 1.0 . 5.35 1677 1593 A 67 SER HBx A 16 PRO HDx 1.0 . 6.00 1678 1594 A 67 SER HBx A 14 THR HA 1.0 . 5.74 1679 1595 A 67 SER HBx A 13 ARG HA 1.0 . 5.02 1680 1596 A 103 LEU HBx A 68 VAL HA 1.0 . 4.21 1681 1597 A 103 LEU HBy A 68 VAL HA 1.0 . 4.17 1682 1598 A 14 THR HB A 68 VAL HA 1.0 . 4.76 1683 1599 A 68 VAL HA A 69 GLY HAx 1.0 . 4.56 1684 1600 A 67 SER HA A 68 VAL HA 1.0 . 5.05 1685 1601 A 68 VAL HB A 67 SER HA 1.0 . 5.13 1686 1602 A 68 VAL HB A 69 GLY H 1.0 . 4.45 1687 1603 A 68 VAL HGy% A 106 LEU HG 1.0 . 2.96 1688 1604 A 68 VAL HGy% A 68 VAL HA 1.0 . 3.19 1689 1605 A 14 THR HB A 68 VAL HGy% 1.0 . 3.19 1690 1606 A 68 VAL HGy% A 106 LEU H 1.0 . 3.92 1691 1607 A 68 VAL HGx% A 68 VAL HA 1.0 . 3.13 1692 1608 A 68 VAL HGx% A 68 VAL H 1.0 . 3.92 1693 1609 A 68 VAL HGx% A 106 LEU H 1.0 . 4.52 1694 1610 A 68 VAL HGx% A 69 GLY HAx 1.0 . 4.33 1695 1611 A 68 VAL HA A 69 GLY HAy 1.0 . 4.51 1696 1612 A 10 GLY HAy A 69 GLY HAy 1.0 . 4.43 1697 1613 A 6 THR HG2% A 70 GLN HA 1.0 . 5.09 1698 1614 A 72 ALA HB% A 70 GLN HA 1.0 . 5.82 1699 1615 A 71 ARG HBy A 70 GLN HA 1.0 . 4.65 1700 1616 A 71 ARG HBx A 70 GLN HA 1.0 . 5.74 1701 1617 A 70 GLN HGy A 70 GLN HA 1.0 . 3.94 1702 1618 A 70 GLN HGx A 70 GLN HA 1.0 . 3.82 1703 1619 A 10 GLY HAx A 70 GLN HA 1.0 . 4.63 1704 1620 A 70 GLN HE2y A 70 GLN HA 1.0 . 5.18 1705 1621 A 70 GLN HE2x A 70 GLN HA 1.0 . 6.00 1706 1622 A 8 SER H A 70 GLN HA 1.0 . 4.83 1707 1623 A 10 GLY H A 70 GLN HA 1.0 . 4.76 1708 1624 A 7 ILE H A 70 GLN HA 1.0 . 6.00 1709 1625 A 70 GLN HE2x A 70 GLN HB2 1.0 . 4.97 1710 1625 A 70 GLN HB3 A 70 GLN HE2x 1.0 . 4.97 1711 1626 A 70 GLN HGy A 72 ALA HB% 1.0 . 5.00 1712 1627 A 70 GLN HGy A 71 ARG H 1.0 . 4.22 1713 1628 A 70 GLN HGy A 67 SER H 1.0 . 5.28 1714 1629 A 70 GLN HGy A 70 GLN H 1.0 . 4.69 1715 1630 A 70 GLN HGx A 66 MET HA 1.0 . 5.74 1716 1631 A 70 GLN HGx A 67 SER HG 1.0 . 6.00 1717 1632 A 72 ALA HA A 70 GLN HGx 1.0 . 6.00 1718 1633 A 70 GLN HGx A 70 GLN H 1.0 . 4.61 1719 1634 A 71 ARG HA A 101 VAL HGy% 1.0 . 4.93 1720 1635 A 71 ARG HA A 7 ILE HG1y 1.0 . 5.89 1721 1636 A 71 ARG HA A 66 MET HBx 1.0 . 5.23 1722 1637 A 71 ARG HA A 70 GLN HB2 1.0 . 5.50 1723 1637 A 71 ARG HA A 70 GLN HB3 1.0 . 5.50 1724 1638 A 70 GLN HGx A 71 ARG HA 1.0 . 4.68 1725 1639 A 71 ARG HA A 71 ARG HDx 1.0 . 5.19 1726 1640 A 71 ARG HA A 8 SER HBx 1.0 . 5.99 1727 1641 A 71 ARG HA A 70 GLN HA 1.0 . 4.99 1728 1642 A 72 ALA HA A 71 ARG HA 1.0 . 4.84 1729 1643 A 71 ARG HA A 102 GLU HA 1.0 . 3.39 1730 1644 A 71 ARG HA A 71 ARG HE 1.0 . 5.76 1731 1645 A 7 ILE H A 71 ARG HA 1.0 . 5.74 1732 1646 A 71 ARG HA A 101 VAL H 1.0 . 5.77 1733 1647 A 8 SER H A 71 ARG HBy 1.0 . 5.00 1734 1648 A 72 ALA H A 71 ARG HBy 1.0 . 5.06 1735 1649 A 72 ALA H A 102 GLU HBx 1.0 . 5.58 1736 1650 A 71 ARG H A 71 ARG HGy 1.0 . 5.12 1737 1651 A 72 ALA H A 71 ARG HGy 1.0 . 4.78 1738 1652 A 102 GLU HA A 71 ARG HGx 1.0 . 4.71 1739 1653 A 8 SER H A 71 ARG HDy 1.0 . 5.11 1740 1654 A 71 ARG HBx A 71 ARG HDx 1.0 . 3.84 1741 1655 A 8 SER HBx A 71 ARG HDx 1.0 . 5.27 1742 1656 A 26 TYR HBx A 59 TRP HH2 1.0 . 4.82 1743 1657 A 8 SER H A 71 ARG HDx 1.0 . 5.31 1744 1658 A 102 GLU HA A 71 ARG HDx 1.0 . 6.00 1745 1659 A 8 SER HBx A 71 ARG HDy 1.0 . 4.80 1746 1660 A 72 ALA HA A 7 ILE HG1y 1.0 . 4.12 1747 1661 A 72 ALA HA A 7 ILE HG1x 1.0 . 3.85 1748 1662 A 72 ALA HA A 71 ARG HBx 1.0 . 5.71 1749 1663 A 72 ALA HA A 66 MET HBx 1.0 . 6.00 1750 1664 A 72 ALA HA A 7 ILE HA 1.0 . 4.84 1751 1665 A 66 MET HGy A 72 ALA HB% 1.0 . 4.39 1752 1666 A 70 GLN HGx A 72 ALA HB% 1.0 . 4.14 1753 1667 A 72 ALA HB% A 6 THR HB 1.0 . 4.49 1754 1668 A 4 VAL HA A 72 ALA HB% 1.0 . 4.40 1755 1669 A 72 ALA HB% A 5 GLU HA 1.0 . 5.02 1756 1670 A 66 MET HA A 72 ALA HB% 1.0 . 5.52 1757 1671 A 72 ALA HB% A 74 LEU HA 1.0 . 5.09 1758 1672 A 71 ARG HA A 72 ALA HB% 1.0 . 4.50 1759 1673 A 8 SER H A 72 ALA HB% 1.0 . 4.79 1760 1674 A 72 ALA HB% A 103 LEU H 1.0 . 5.81 1761 1675 A 71 ARG H A 72 ALA HB% 1.0 . 4.77 1762 1676 A 107 GLU H A 106 LEU HG 1.0 . 5.39 1763 1677 A 74 LEU HG A 74 LEU HA 1.0 . 3.78 1764 1678 A 75 THR HG2% A 74 LEU HA 1.0 . 5.67 1765 1679 A 74 LEU HA A 4 VAL HB 1.0 . 5.13 1766 1680 A 3 GLN HBx A 74 LEU HA 1.0 . 6.00 1767 1681 A 74 LEU HA A 99 PHE HBx 1.0 . 5.64 1768 1682 A 75 THR HB A 74 LEU HA 1.0 . 4.81 1769 1683 A 74 LEU HA A 75 THR HA 1.0 . 4.72 1770 1684 A 3 GLN H A 74 LEU HA 1.0 . 4.68 1771 1685 A 5 GLU H A 74 LEU HA 1.0 . 3.71 1772 1686 A 99 PHE H A 74 LEU HA 1.0 . 5.23 1773 1687 A 99 PHE H A 74 LEU HBy 1.0 . 4.44 1774 1688 A 99 PHE HA A 74 LEU HBy 1.0 . 5.93 1775 1689 A 74 LEU HBx A 58 GLY HAy 1.0 . 6.00 1776 1690 A 74 LEU HBx A 63 VAL HA 1.0 . 6.00 1777 1691 A 99 PHE HD% A 74 LEU HBx 1.0 . 6.00 1778 1692 A 99 PHE H A 74 LEU HBx 1.0 . 5.71 1779 1693 A 74 LEU H A 74 LEU HBx 1.0 . 4.15 1780 1694 A 76 ILE HD1% A 75 THR HA 1.0 . 4.43 1781 1695 A 74 LEU HBy A 75 THR HA 1.0 . 4.88 1782 1696 A 97 LEU H A 75 THR HA 1.0 . 5.94 1783 1697 A 98 VAL H A 75 THR HA 1.0 . 6.00 1784 1698 A 99 PHE HD% A 75 THR HA 1.0 . 4.81 1785 1699 A 75 THR HB A 3 GLN HA 1.0 . 5.26 1786 1700 A 75 THR HB A 76 ILE HA 1.0 . 5.76 1787 1701 A 75 THR HG2% A 75 THR HA 1.0 . 3.07 1788 1702 A 75 THR HG2% A 75 THR H 1.0 . 3.97 1789 1703 A 75 THR HG2% A 3 GLN HBy 1.0 . 3.89 1790 1704 A 2 VAL HGy% A 76 ILE HA 1.0 . 3.44 1791 1705 A 76 ILE HG2% A 76 ILE HA 1.0 . 3.32 1792 1706 A 76 ILE HG1y A 76 ILE HA 1.0 . 3.58 1793 1707 A 76 ILE HB A 75 THR HA 1.0 . 5.04 1794 1708 A 76 ILE HB A 99 PHE HE% 1.0 . 5.45 1795 1709 A 97 LEU H A 76 ILE HB 1.0 . 4.46 1796 1710 A 76 ILE HG1x A 76 ILE HG2% 1.0 . 2.90 1797 1711 A 80 TYR HBx A 76 ILE HG2% 1.0 . 3.50 1798 1712 A 76 ILE HG2% A 80 TYR HBy 1.0 . 3.56 1799 1713 A 76 ILE HG2% A 58 GLY HAy 1.0 . 3.84 1800 1714 A 76 ILE HG2% A 58 GLY HAx 1.0 . 3.48 1801 1715 A 81 ALA HA A 76 ILE HG2% 1.0 . 4.02 1802 1716 A 58 GLY H A 76 ILE HG2% 1.0 . 4.06 1803 1717 A 76 ILE HD1% A 99 PHE HBx 1.0 . 3.71 1804 1718 A 99 PHE HD% A 76 ILE HD1% 1.0 . 3.81 1805 1719 A 78 PRO HA A 96 THR HA 1.0 . 4.94 1806 1720 A 78 PRO HGy A 77 SER HA 1.0 . 4.89 1807 1721 A 78 PRO HGy A 94 HIS H 1.0 . 5.30 1808 1722 A 96 THR H A 78 PRO HDy 1.0 . 5.10 1809 1723 A 77 SER H A 78 PRO HDy 1.0 . 5.38 1810 1724 A 79 ASP H A 78 PRO HDy 1.0 . 4.74 1811 1725 A 78 PRO HDx A 77 SER HA 1.0 . 3.32 1812 1726 A 78 PRO HDx A 77 SER HBx 1.0 . 3.65 1813 1727 A 78 PRO HDx A 96 THR H 1.0 . 5.22 1814 1728 A 77 SER H A 78 PRO HDx 1.0 . 4.86 1815 1729 A 78 PRO HDx A 96 THR HG2% 1.0 . 4.81 1816 1730 A 83 GLY HAx A 79 ASP HA 1.0 . 4.71 1817 1731 A 83 GLY HAy A 79 ASP HA 1.0 . 4.33 1818 1732 A 81 ALA H A 79 ASP HA 1.0 . 4.75 1819 1733 A 80 TYR HA A 76 ILE HG2% 1.0 . 4.64 1820 1734 A 57 ARG HBx A 80 TYR HA 1.0 . 3.75 1821 1735 A 57 ARG HBy A 80 TYR HA 1.0 . 4.23 1822 1736 A 80 TYR HA A 58 GLY H 1.0 . 4.75 1823 1737 A 76 ILE HD1% A 80 TYR HBy 1.0 . 4.85 1824 1738 A 57 ARG HBy A 80 TYR HBy 1.0 . 6.00 1825 1739 A 80 TYR HBy A 76 ILE HB 1.0 . 6.00 1826 1740 A 56 ILE HD1% A 80 TYR HBx 1.0 . 4.89 1827 1741 A 80 TYR HBx A 76 ILE HD1% 1.0 . 5.14 1828 1742 A 57 ARG HBy A 80 TYR HBx 1.0 . 4.79 1829 1743 A 56 ILE HB A 80 TYR HBx 1.0 . 5.43 1830 1744 A 80 TYR HBx A 59 TRP H 1.0 . 5.69 1831 1745 A 56 ILE HB A 81 ALA HA 1.0 . 3.54 1832 1746 A 56 ILE HA A 81 ALA HA 1.0 . 4.83 1833 1747 A 57 ARG H A 81 ALA HA 1.0 . 4.66 1834 1748 A 81 ALA HB% A 76 ILE HB 1.0 . 3.61 1835 1749 A 81 ALA HB% A 82 TYR H 1.0 . 3.70 1836 1750 A 81 ALA HB% A 78 PRO HBx 1.0 . 5.15 1837 1751 A 82 TYR HD% A 82 TYR HA 1.0 . 3.89 1838 1752 A 82 TYR HBx A 85 THR HG2% 1.0 . 6.00 1839 1753 A 81 ALA HB% A 82 TYR HBx 1.0 . 5.06 1840 1754 A 82 TYR HBx A 87 HIS HBy 1.0 . 5.68 1841 1755 A 82 TYR HBx A 86 GLY HAx 1.0 . 4.35 1842 1756 A 82 TYR HBx A 86 GLY HAy 1.0 . 4.51 1843 1757 A 94 HIS HA A 84 ALA HA 1.0 . 5.16 1844 1758 A 84 ALA HA A 94 HIS HD2 1.0 . 6.00 1845 1759 A 93 PRO HBx A 85 THR HA 1.0 . 4.92 1846 1760 A 85 THR HB A 86 GLY H 1.0 . 4.06 1847 1761 A 85 THR HG2% A 85 THR HA 1.0 . 3.02 1848 1762 A 91 ILE HB A 86 GLY HAy 1.0 . 4.67 1849 1763 A 91 ILE HG2% A 86 GLY HAx 1.0 . 4.68 1850 1764 A 91 ILE HB A 86 GLY HAx 1.0 . 5.02 1851 1765 A 85 THR HB A 86 GLY HAx 1.0 . 4.80 1852 1766 A 87 HIS HA A 88 PRO HDx 1.0 . 3.84 1853 1767 A 91 ILE HG1x A 87 HIS HBx 1.0 . 4.90 1854 1768 A 91 ILE HG1y A 87 HIS HBx 1.0 . 4.57 1855 1769 A 87 HIS HBx A 90 ILE HG2% 1.0 . 4.66 1856 1770 A 91 ILE HB A 87 HIS HBx 1.0 . 3.82 1857 1771 A 90 ILE H A 88 PRO HA 1.0 . 4.95 1858 1772 A 87 HIS H A 88 PRO HA 1.0 . 5.78 1859 1773 A 68 VAL HB A 14 THR HB 1.0 . 3.60 1860 1774 A 87 HIS HA A 88 PRO HDy 1.0 . 3.84 1861 1775 A 90 ILE HB A 89 GLY HAx 1.0 . 5.34 1862 1776 A 90 ILE HG2% A 90 ILE HA 1.0 . 3.28 1863 1777 A 90 ILE HD1% A 90 ILE HA 1.0 . 3.90 1864 1778 A 90 ILE HG1y A 90 ILE HA 1.0 . 3.80 1865 1779 A 87 HIS HD2 A 90 ILE HB 1.0 . 5.29 1866 1780 A 90 ILE HG1x A 89 GLY HAx 1.0 . 4.29 1867 1781 A 87 HIS HD2 A 90 ILE HG1x 1.0 . 5.25 1868 1782 A 91 ILE HG1x A 90 ILE HG2% 1.0 . 4.38 1869 1783 A 91 ILE HD1% A 90 ILE HG2% 1.0 . 3.47 1870 1784 A 36 PHE HBx A 90 ILE HG2% 1.0 . 3.84 1871 1785 A 36 PHE HBy A 90 ILE HG2% 1.0 . 3.67 1872 1786 A 90 ILE H A 90 ILE HG2% 1.0 . 4.04 1873 1787 A 91 ILE HB A 87 HIS HBy 1.0 . 4.28 1874 1788 A 91 ILE HB A 92 PRO HDy 1.0 . 5.77 1875 1789 A 91 ILE HB A 87 HIS HA 1.0 . 5.28 1876 1790 A 91 ILE HB A 82 TYR HE% 1.0 . 6.00 1877 1791 A 82 TYR HD% A 91 ILE HB 1.0 . 5.70 1878 1792 A 91 ILE HG1x A 87 HIS HBy 1.0 . 5.20 1879 1793 A 91 ILE HG1x A 92 PRO HDy 1.0 . 5.71 1880 1794 A 91 ILE HG1x A 82 TYR HE% 1.0 . 6.00 1881 1795 A 82 TYR HD% A 91 ILE HG1x 1.0 . 6.00 1882 1796 A 91 ILE HG2% A 97 LEU HG 1.0 . 3.84 1883 1797 A 91 ILE HG2% A 87 HIS HBx 1.0 . 4.48 1884 1798 A 82 TYR HBy A 91 ILE HG2% 1.0 . 4.13 1885 1799 A 82 TYR HBx A 91 ILE HG2% 1.0 . 4.87 1886 1800 A 91 ILE HG2% A 92 PRO HDx 1.0 . 4.35 1887 1801 A 91 ILE HG2% A 86 GLY HAy 1.0 . 3.87 1888 1802 A 91 ILE HG2% A 91 ILE H 1.0 . 4.92 1889 1803 A 91 ILE HD1% A 97 LEU HDy% 1.0 . 3.43 1890 1804 A 91 ILE HD1% A 97 LEU HG 1.0 . 4.09 1891 1805 A 91 ILE HD1% A 87 HIS HBx 1.0 . 4.51 1892 1806 A 91 ILE HD1% A 92 PRO HDx 1.0 . 4.63 1893 1807 A 91 ILE HD1% A 92 PRO HDy 1.0 . 4.67 1894 1808 A 91 ILE HA A 91 ILE HD1% 1.0 . 3.89 1895 1809 A 36 PHE HD% A 91 ILE HD1% 1.0 . 4.01 1896 1810 A 87 HIS H A 91 ILE HD1% 1.0 . 5.03 1897 1811 A 92 PRO HDy A 30 LEU HDx% 1.0 . 4.36 1898 1812 A 92 PRO HDx A 95 ALA HB% 1.0 . 4.18 1899 1813 A 93 PRO HA A 84 ALA HA 1.0 . 4.82 1900 1814 A 86 GLY H A 93 PRO HA 1.0 . 6.00 1901 1815 A 84 ALA HA A 93 PRO HBx 1.0 . 4.64 1902 1816 A 94 HIS HBy A 93 PRO HBy 1.0 . 4.64 1903 1817 A 93 PRO HDy A 92 PRO HBy 1.0 . 3.83 1904 1818 A 78 PRO HBx A 94 HIS HA 1.0 . 4.11 1905 1819 A 95 ALA HB% A 94 HIS HA 1.0 . 5.38 1906 1820 A 84 ALA HB% A 94 HIS HA 1.0 . 5.67 1907 1821 A 95 ALA HA A 94 HIS HA 1.0 . 4.56 1908 1822 A 78 PRO HBy A 94 HIS HBy 1.0 . 6.00 1909 1823 A 78 PRO HGx A 94 HIS HBy 1.0 . 6.00 1910 1824 A 94 HIS HBy A 93 PRO HGx 1.0 . 6.00 1911 1825 A 94 HIS HBy A 95 ALA HA 1.0 . 5.70 1912 1826 A 94 HIS HBy A 95 ALA H 1.0 . 5.71 1913 1827 A 95 ALA HB% A 94 HIS HBx 1.0 . 5.96 1914 1828 A 78 PRO HGy A 94 HIS HBy 1.0 . 5.43 1915 1829 A 94 HIS HBy A 93 PRO HGy 1.0 . 5.75 1916 1830 A 94 HIS HBy A 95 ALA HB% 1.0 . 5.86 1917 1831 A 95 ALA HA A 94 HIS HBx 1.0 . 5.57 1918 1832 A 96 THR HB A 95 ALA HA 1.0 . 4.65 1919 1833 A 91 ILE HG2% A 95 ALA HB% 1.0 . 3.54 1920 1834 A 95 ALA HB% A 92 PRO HDy 1.0 . 3.98 1921 1835 A 78 PRO HDy A 96 THR HA 1.0 . 3.84 1922 1836 A 97 LEU H A 96 THR HB 1.0 . 4.50 1923 1837 A 96 THR HG2% A 31 GLU HG2 1.0 . 3.52 1924 1837 A 96 THR HG2% A 31 GLU HG3 1.0 . 3.52 1925 1838 A 97 LEU HA A 97 LEU HDy% 1.0 . 4.04 1926 1839 A 36 PHE HZ A 97 LEU HA 1.0 . 4.80 1927 1840 A 76 ILE H A 97 LEU HBy 1.0 . 5.36 1928 1841 A 97 LEU HBy A 97 LEU HDy% 1.0 . 3.28 1929 1842 A 36 PHE HE% A 97 LEU HDy% 1.0 . 4.01 1930 1843 A 97 LEU HBx A 97 LEU HDx% 1.0 . 3.20 1931 1844 A 97 LEU HBy A 97 LEU HDx% 1.0 . 3.28 1932 1845 A 97 LEU HA A 97 LEU HDx% 1.0 . 4.04 1933 1846 A 28 GLY HAy A 98 VAL HA 1.0 . 6.00 1934 1847 A 75 THR HB A 98 VAL HA 1.0 . 6.00 1935 1848 A 75 THR HA A 98 VAL HA 1.0 . 3.49 1936 1849 A 99 PHE HD% A 98 VAL HA 1.0 . 4.75 1937 1850 A 75 THR H A 98 VAL HA 1.0 . 5.32 1938 1851 A 98 VAL HA A 98 VAL HGx% 1.0 . 3.12 1939 1852 A 28 GLY HAy A 99 PHE HA 1.0 . 3.79 1940 1853 A 99 PHE HA A 29 MET HE% 1.0 . 4.18 1941 1854 A 28 GLY HAx A 99 PHE HA 1.0 . 4.46 1942 1855 A 99 PHE HA A 98 VAL HA 1.0 . 4.77 1943 1856 A 99 PHE HA A 100 ASP HA 1.0 . 5.11 1944 1857 A 99 PHE HD% A 99 PHE HA 1.0 . 4.13 1945 1858 A 27 THR H A 99 PHE HA 1.0 . 3.69 1946 1859 A 28 GLY H A 99 PHE HA 1.0 . 4.86 1947 1860 A 27 THR HG2% A 99 PHE HA 1.0 . 5.06 1948 1861 A 26 TYR HA A 99 PHE HA 1.0 . 5.57 1949 1862 A 99 PHE HBy A 74 LEU HBy 1.0 . 4.57 1950 1863 A 99 PHE HBy A 98 VAL HA 1.0 . 6.00 1951 1864 A 26 TYR HA A 99 PHE HBy 1.0 . 6.00 1952 1865 A 99 PHE HBy A 59 TRP HD1 1.0 . 6.00 1953 1866 A 28 GLY HAy A 99 PHE HBy 1.0 . 5.44 1954 1867 A 74 LEU HBy A 99 PHE HBx 1.0 . 3.91 1955 1868 A 101 VAL HGx% A 100 ASP HBx 1.0 . 6.00 1956 1869 A 99 PHE HA A 100 ASP HBx 1.0 . 5.02 1957 1870 A 74 LEU H A 100 ASP HBx 1.0 . 6.00 1958 1871 A 27 THR HG2% A 100 ASP HBx 1.0 . 5.00 1959 1872 A 101 VAL HA A 101 VAL HGx% 1.0 . 3.45 1960 1873 A 102 GLU HBx A 101 VAL HA 1.0 . 4.61 1961 1874 A 102 GLU HGx A 101 VAL HA 1.0 . 4.44 1962 1875 A 101 VAL HA A 26 TYR HBy 1.0 . 3.91 1963 1876 A 101 VAL HA A 26 TYR HA 1.0 . 3.61 1964 1877 A 101 VAL HA A 27 THR H 1.0 . 4.40 1965 1878 A 26 TYR H A 101 VAL HA 1.0 . 4.88 1966 1879 A 101 VAL HA A 102 GLU HA 1.0 . 4.68 1967 1880 A 71 ARG HA A 101 VAL HA 1.0 . 6.00 1968 1881 A 25 HIS HA A 101 VAL HA 1.0 . 5.14 1969 1882 A 26 TYR HD% A 101 VAL HA 1.0 . 5.26 1970 1883 A 101 VAL H A 101 VAL HB 1.0 . 3.76 1971 1884 A 101 VAL HGx% A 26 TYR HBx 1.0 . 3.60 1972 1885 A 26 TYR HA A 101 VAL HGx% 1.0 . 3.87 1973 1886 A 26 TYR HD% A 101 VAL HGx% 1.0 . 3.88 1974 1887 A 101 VAL HGx% A 99 PHE HD% 1.0 . 4.28 1975 1888 A 26 TYR H A 101 VAL HGx% 1.0 . 4.57 1976 1889 A 74 LEU H A 101 VAL HGx% 1.0 . 5.02 1977 1890 A 102 GLU H A 101 VAL HGy% 1.0 . 3.56 1978 1891 A 23 VAL HGx% A 45 PRO HDx 1.0 . 4.75 1979 1892 A 101 VAL HGy% A 26 TYR HBy 1.0 . 4.59 1980 1893 A 102 GLU HGx A 102 GLU HA 1.0 . 3.89 1981 1894 A 102 GLU HA A 101 VAL HGy% 1.0 . 4.12 1982 1895 A 102 GLU HA A 103 LEU HBy 1.0 . 4.56 1983 1896 A 70 GLN HGx A 102 GLU HA 1.0 . 6.00 1984 1897 A 71 ARG H A 102 GLU HA 1.0 . 5.26 1985 1898 A 72 ALA H A 102 GLU HBy 1.0 . 5.83 1986 1899 A 25 HIS H A 102 GLU HGy 1.0 . 4.27 1987 1900 A 71 ARG HA A 102 GLU HGy 1.0 . 5.82 1988 1901 A 71 ARG HA A 66 MET HBy 1.0 . 6.00 1989 1902 A 71 ARG HA A 102 GLU HGx 1.0 . 6.00 1990 1903 A 102 GLU HGx A 104 LEU HDy% 1.0 . 3.77 1991 1904 A 68 VAL H A 103 LEU HBy 1.0 . 5.52 1992 1905 A 67 SER H A 103 LEU HBy 1.0 . 5.60 1993 1906 A 103 LEU HBy A 16 PRO HDy 1.0 . 5.62 1994 1907 A 103 LEU HBy A 69 GLY HAx 1.0 . 5.73 1995 1908 A 103 LEU HBx A 103 LEU HDx% 1.0 . 3.60 1996 1909 A 103 LEU HBx A 66 MET HE% 1.0 . 4.46 1997 1910 A 102 GLU HA A 103 LEU HBx 1.0 . 5.48 1998 1911 A 68 VAL H A 103 LEU HBx 1.0 . 5.90 1999 1912 A 103 LEU HBx A 70 GLN H 1.0 . 4.10 2000 1913 A 68 VAL HA A 103 LEU HG 1.0 . 3.93 2001 1914 A 103 LEU HG A 16 PRO HDy 1.0 . 5.21 2002 1915 A 68 VAL H A 103 LEU HG 1.0 . 5.15 2003 1916 A 70 GLN H A 103 LEU HG 1.0 . 5.11 2004 1917 A 69 GLY H A 103 LEU HG 1.0 . 4.90 2005 1918 A 104 LEU H A 103 LEU HG 1.0 . 5.59 2006 1919 A 106 LEU HBy A 106 LEU HDy% 1.0 . 3.27 2007 1920 A 16 PRO HGx A 103 LEU HDx% 1.0 . 3.52 2008 1921 A 103 LEU HBy A 103 LEU HDx% 1.0 . 3.43 2009 1922 A 68 VAL HA A 103 LEU HDx% 1.0 . 3.91 2010 1923 A 16 PRO HDx A 103 LEU HDx% 1.0 . 5.02 2011 1924 A 16 PRO HA A 106 LEU HDy% 1.0 . 3.35 2012 1925 A 68 VAL H A 103 LEU HDx% 1.0 . 4.72 2013 1926 A 69 GLY H A 103 LEU HDx% 1.0 . 4.89 2014 1927 A 103 LEU HBx A 103 LEU HDy% 1.0 . 3.60 2015 1928 A 16 PRO HGx A 103 LEU HDy% 1.0 . 3.52 2016 1929 A 68 VAL H A 103 LEU HDy% 1.0 . 4.72 2017 1930 A 104 LEU HG A 104 LEU HA 1.0 . 3.47 2018 1931 A 104 LEU HBx A 23 VAL HGx% 1.0 . 3.75 2019 1932 A 24 VAL HA A 104 LEU HBy 1.0 . 4.99 2020 1933 A 23 VAL HB A 104 LEU HBy 1.0 . 4.79 2021 1934 A 23 VAL HGx% A 104 LEU HBy 1.0 . 3.84 2022 1935 A 104 LEU HBx A 23 VAL H 1.0 . 5.52 2023 1936 A 104 LEU HBx A 25 HIS H 1.0 . 5.66 2024 1937 A 104 LEU HA A 104 LEU HDy% 1.0 . 2.88 2025 1938 A 104 LEU H A 104 LEU HDy% 1.0 . 3.61 2026 1939 A 104 LEU HBx A 104 LEU HDx% 1.0 . 2.92 2027 1940 A 104 LEU HDx% A 104 LEU HBy 1.0 . 3.30 2028 1941 A 24 VAL HA A 104 LEU HDx% 1.0 . 3.82 2029 1942 A 104 LEU HDx% A 25 HIS H 1.0 . 4.03 2030 1943 A 106 LEU HA A 106 LEU HG 1.0 . 3.87 2031 1944 A 106 LEU HA A 22 CYS HA 1.0 . 3.46 2032 1945 A 106 LEU HBy A 107 GLU HA 1.0 . 4.58 2033 1946 A 20 GLN HE2y A 106 LEU HBy 1.0 . 5.05 2034 1947 A 20 GLN HBx A 106 LEU HBy 1.0 . 5.67 2035 1948 A 106 LEU HBy A 20 GLN HG2 1.0 . 6.00 2036 1948 A 20 GLN HG3 A 106 LEU HBy 1.0 . 6.00 2037 1949 A 106 LEU HBx A 106 LEU HDy% 1.0 . 3.49 2038 1950 A 20 GLN HBy A 106 LEU HBx 1.0 . 5.68 2039 1951 A 106 LEU HBx A 107 GLU HGy 1.0 . 6.00 2040 1952 A 106 LEU HBx A 20 GLN HBx 1.0 . 5.00 2041 1953 A 106 LEU HBx A 20 GLN HG2 1.0 . 5.56 2042 1953 A 20 GLN HG3 A 106 LEU HBx 1.0 . 5.56 2043 1954 A 106 LEU HBx A 22 CYS HA 1.0 . 4.48 2044 1955 A 106 LEU HBx A 106 LEU H 1.0 . 4.03 2045 1956 A 106 LEU HBx A 106 LEU HDx% 1.0 . 3.49 2046 1957 A 106 LEU HBy A 106 LEU HDx% 1.0 . 3.27 2047 1958 A 106 LEU H A 106 LEU HDx% 1.0 . 4.03 2048 1959 A 106 LEU HBx A 107 GLU HA 1.0 . 4.73 2049 1960 A 21 THR HB A 107 GLU HGy 1.0 . 4.46 2050 1961 A 107 GLU H A 107 GLU HGx 1.0 . 4.31 2051 1962 A 106 LEU HA A 107 GLU HGx 1.0 . 5.02 2052 1963 A 27 THR HG2% A 29 MET HGy 1.0 . 3.67 2053 1964 A 28 GLY HAy A 99 PHE HBx 1.0 . 5.52 2054 1965 A 28 GLY HAy A 26 TYR HE% 1.0 . 6.00 2055 1966 A 28 GLY HAy A 99 PHE HZ 1.0 . 6.00 2056 1967 A 100 ASP HBx A 29 MET HE% 1.0 . 3.96 2057 1968 A 100 ASP HBy A 29 MET HE% 1.0 . 3.47 2058 1969 A 21 THR HA A 22 CYS HA 1.0 . 4.57 2059 1970 A 66 MET HGx A 72 ALA HB% 1.0 . 3.67 2060 1971 A 2 VAL HA A 76 ILE HA 1.0 . 3.74 2061 1972 A 2 VAL HB A 3 GLN H 1.0 . 4.36 2062 1973 A 2 VAL HB A 76 ILE HA 1.0 . 4.34 2063 1974 A 2 VAL HGx% A 3 GLN HA 1.0 . 4.32 2064 1975 A 3 GLN H A 3 GLN HBx 1.0 . 3.79 2065 1976 A 4 VAL HA A 74 LEU HA 1.0 . 3.70 2066 1977 A 21 THR HG2% A 48 PHE HA 1.0 . 4.36 2067 1978 A 10 GLY H A 9 PRO HBy 1.0 . 4.24 2068 1979 A 70 GLN HGx A 6 THR HA 1.0 . 5.36 2069 1980 A 7 ILE HG2% A 7 ILE HA 1.0 . 3.22 2070 1981 A 71 ARG H A 7 ILE HB 1.0 . 4.88 2071 1982 A 7 ILE HB A 72 ALA H 1.0 . 5.63 2072 1983 A 8 SER H A 7 ILE HG1x 1.0 . 5.02 2073 1984 A 7 ILE HD1% A 71 ARG HDx 1.0 . 3.94 2074 1985 A 10 GLY H A 9 PRO HBx 1.0 . 3.90 2075 1986 A 6 THR HG2% A 9 PRO HGx 1.0 . 4.94 2076 1987 A 70 GLN HGx A 10 GLY HAx 1.0 . 5.80 2077 1988 A 10 GLY HAx A 70 GLN H 1.0 . 4.63 2078 1989 A 13 ARG HA A 13 ARG HGy 1.0 . 3.93 2079 1990 A 13 ARG HGx A 13 ARG HA 1.0 . 3.91 2080 1991 A 13 ARG HGx A 14 THR HA 1.0 . 5.94 2081 1992 A 13 ARG HGx A 14 THR HB 1.0 . 6.00 2082 1993 A 18 ARG HBx A 19 GLY HAx 1.0 . 5.09 2083 1994 A 91 ILE HG1y A 91 ILE HA 1.0 . 3.97 2084 1995 A 20 GLN HE2y A 20 GLN HBy 1.0 . 4.54 2085 1996 A 21 THR HA A 49 MET HG2 1.0 . 4.10 2086 1996 A 21 THR HA A 49 MET HG3 1.0 . 4.10 2087 1997 A 104 LEU H A 23 VAL HGx% 1.0 . 4.54 2088 1998 A 24 VAL HA A 25 HIS HD2 1.0 . 5.14 2089 1999 A 24 VAL HB A 66 MET HE% 1.0 . 4.56 2090 2000 A 24 VAL HB A 102 GLU HGy 1.0 . 4.89 2091 2001 A 25 HIS HBx A 104 LEU HDy% 1.0 . 4.80 2092 2002 A 28 GLY HAx A 97 LEU HBx 1.0 . 6.00 2093 2003 A 36 PHE H A 28 GLY HAx 1.0 . 5.48 2094 2004 A 29 MET HGy A 29 MET HBy 1.0 . 2.92 2095 2005 A 30 LEU HA A 30 LEU HDx% 1.0 . 3.86 2096 2006 A 30 LEU HA A 30 LEU HDy% 1.0 . 3.86 2097 2007 A 96 THR HB A 31 GLU HG2 1.0 . 3.72 2098 2007 A 96 THR HB A 31 GLU HG3 1.0 . 3.72 2099 2008 A 36 PHE HBy A 30 LEU HG 1.0 . 5.78 2100 2009 A 36 PHE HBy A 28 GLY HAx 1.0 . 6.00 2101 2010 A 36 PHE HBy A 37 ASP HBx 1.0 . 6.00 2102 2011 A 39 SER HA A 42 ARG HB2 1.0 . 4.58 2103 2011 A 42 ARG HB3 A 39 SER HA 1.0 . 4.58 2104 2012 A 26 TYR H A 40 ARG HGy 1.0 . 5.88 2105 2013 A 40 ARG HGy A 27 THR HA 1.0 . 5.99 2106 2014 A 40 ARG HBy A 40 ARG HDy 1.0 . 3.94 2107 2015 A 79 ASP HBx A 81 ALA H 1.0 . 5.35 2108 2016 A 66 MET HGy A 74 LEU HG 1.0 . 6.00 2109 2017 A 74 LEU HG A 99 PHE HBx 1.0 . 6.00 2110 2018 A 43 ASN HA A 25 HIS HE1 1.0 . 4.12 2111 2019 A 23 VAL HGx% A 46 PHE HBy 1.0 . 6.00 2112 2020 A 46 PHE HBy A 101 VAL HGx% 1.0 . 6.00 2113 2021 A 50 LEU HBy A 49 MET HA 1.0 . 4.51 2114 2022 A 48 PHE HD% A 50 LEU HG 1.0 . 6.00 2115 2023 A 60 GLU HGx A 50 LEU HDx% 1.0 . 4.84 2116 2024 A 53 GLN HA A 53 GLN HGx 1.0 . 3.57 2117 2025 A 55 VAL HGx% A 54 GLU HBx 1.0 . 4.22 2118 2026 A 55 VAL HGx% A 48 PHE HA 1.0 . 4.79 2119 2027 A 55 VAL HGy% A 48 PHE HZ 1.0 . 4.15 2120 2028 A 55 VAL HGy% A 56 ILE H 1.0 . 4.07 2121 2029 A 55 VAL HGy% A 48 PHE HA 1.0 . 5.78 2122 2030 A 55 VAL HGy% A 50 LEU HDy% 1.0 . 4.73 2123 2031 A 56 ILE HA A 57 ARG HA 1.0 . 4.53 2124 2032 A 57 ARG HBy A 56 ILE HB 1.0 . 4.81 2125 2033 A 55 VAL HGy% A 56 ILE HG1x 1.0 . 4.67 2126 2034 A 56 ILE HG1x A 57 ARG H 1.0 . 5.09 2127 2035 A 56 ILE HG1y A 55 VAL HB 1.0 . 4.22 2128 2036 A 56 ILE HG1y A 59 TRP HB2 1.0 . 4.46 2129 2036 A 56 ILE HG1y A 59 TRP HB3 1.0 . 4.46 2130 2037 A 56 ILE HG1y A 55 VAL HA 1.0 . 4.32 2131 2038 A 56 ILE HG2% A 58 GLY H 1.0 . 4.83 2132 2039 A 56 ILE HD1% A 59 TRP HA 1.0 . 4.30 2133 2040 A 57 ARG HBx A 57 ARG HDy 1.0 . 4.19 2134 2041 A 2 VAL HB A 58 GLY HAx 1.0 . 4.23 2135 2042 A 57 ARG HBx A 58 GLY HAx 1.0 . 5.20 2136 2043 A 56 ILE HB A 58 GLY HAx 1.0 . 4.89 2137 2044 A 80 TYR HBx A 58 GLY HAx 1.0 . 4.27 2138 2045 A 80 TYR HA A 58 GLY HAx 1.0 . 6.00 2139 2046 A 81 ALA HA A 58 GLY HAx 1.0 . 6.00 2140 2047 A 80 TYR HD% A 58 GLY HAx 1.0 . 4.51 2141 2048 A 60 GLU H A 58 GLY HAx 1.0 . 5.58 2142 2049 A 61 GLU H A 58 GLY HAx 1.0 . 5.27 2143 2050 A 57 ARG H A 58 GLY HAx 1.0 . 5.91 2144 2051 A 77 SER H A 58 GLY HAx 1.0 . 6.00 2145 2052 A 56 ILE HG1x A 59 TRP HA 1.0 . 4.52 2146 2053 A 61 GLU HBy A 59 TRP HA 1.0 . 6.00 2147 2054 A 61 GLU H A 59 TRP HA 1.0 . 4.73 2148 2055 A 60 GLU HGx A 50 LEU HG 1.0 . 5.07 2149 2056 A 60 GLU HGx A 50 LEU HDy% 1.0 . 4.84 2150 2057 A 60 GLU HGx A 57 ARG HA 1.0 . 4.98 2151 2058 A 53 GLN H A 60 GLU HGy 1.0 . 5.70 2152 2059 A 51 GLY H A 60 GLU HGy 1.0 . 5.93 2153 2060 A 82 TYR H A 83 GLY HAx 1.0 . 5.78 2154 2061 A 72 ALA HB% A 63 VAL HA 1.0 . 6.00 2155 2062 A 63 VAL HB A 62 GLY HAx 1.0 . 5.24 2156 2063 A 63 VAL HB A 59 TRP HA 1.0 . 4.60 2157 2064 A 63 VAL H A 63 VAL HGx% 1.0 . 3.93 2158 2065 A 64 ALA H A 63 VAL HGx% 1.0 . 4.08 2159 2066 A 15 PHE HBx A 64 ALA HA 1.0 . 5.18 2160 2067 A 64 ALA HB% A 65 GLN HGx 1.0 . 3.97 2161 2068 A 64 ALA HB% A 63 VAL H 1.0 . 4.64 2162 2069 A 64 ALA HB% A 65 GLN HA 1.0 . 4.36 2163 2070 A 65 GLN HGx A 65 GLN HA 1.0 . 3.46 2164 2071 A 66 MET HGy A 65 GLN HBy 1.0 . 4.61 2165 2072 A 66 MET HGx A 65 GLN HGy 1.0 . 4.91 2166 2073 A 65 GLN HGy A 4 VAL HGx% 1.0 . 5.35 2167 2074 A 70 GLN H A 66 MET HBx 1.0 . 5.71 2168 2075 A 103 LEU H A 66 MET HBx 1.0 . 6.00 2169 2076 A 65 GLN H A 66 MET HBy 1.0 . 5.48 2170 2077 A 65 GLN H A 66 MET HGx 1.0 . 4.93 2171 2078 A 66 MET HA A 66 MET HE% 1.0 . 4.26 2172 2079 A 72 ALA HA A 66 MET HE% 1.0 . 5.10 2173 2080 A 67 SER H A 66 MET HE% 1.0 . 4.32 2174 2081 A 66 MET H A 66 MET HE% 1.0 . 4.45 2175 2082 A 70 GLN HE2x A 66 MET HE% 1.0 . 4.77 2176 2083 A 102 GLU H A 66 MET HE% 1.0 . 4.65 2177 2084 A 103 LEU HA A 68 VAL HA 1.0 . 5.47 2178 2085 A 68 VAL HGx% A 69 GLY HAy 1.0 . 3.81 2179 2086 A 75 THR HA A 98 VAL HGy% 1.0 . 4.50 2180 2087 A 70 GLN HGy A 9 PRO HA 1.0 . 4.56 2181 2088 A 71 ARG HBx A 72 ALA H 1.0 . 4.97 2182 2089 A 58 GLY H A 57 ARG HGy 1.0 . 4.90 2183 2090 A 74 LEU HA A 4 VAL HGy% 1.0 . 4.42 2184 2091 A 99 PHE HD% A 74 LEU HBy 1.0 . 4.95 2185 2092 A 74 LEU HBx A 99 PHE HBx 1.0 . 4.99 2186 2093 A 74 LEU HBx A 3 GLN HA 1.0 . 6.00 2187 2094 A 74 LEU HBx A 76 ILE HA 1.0 . 6.00 2188 2095 A 75 THR H A 74 LEU HDx% 1.0 . 6.00 2189 2096 A 75 THR H A 74 LEU HDy% 1.0 . 6.00 2190 2097 A 56 ILE HB A 76 ILE HG2% 1.0 . 4.46 2191 2098 A 76 ILE HD1% A 74 LEU HBx 1.0 . 3.57 2192 2099 A 56 ILE HB A 76 ILE HD1% 1.0 . 5.03 2193 2100 A 78 PRO HGx A 94 HIS HA 1.0 . 3.31 2194 2101 A 78 PRO HDy A 77 SER HBy 1.0 . 3.88 2195 2102 A 78 PRO HDy A 77 SER HBx 1.0 . 3.88 2196 2103 A 81 ALA HB% A 80 TYR HBy 1.0 . 4.97 2197 2104 A 80 TYR HBy A 58 GLY HAx 1.0 . 4.45 2198 2105 A 81 ALA HB% A 82 TYR HBy 1.0 . 4.63 2199 2106 A 82 TYR H A 83 GLY HAy 1.0 . 5.99 2200 2107 A 84 ALA HB% A 85 THR HA 1.0 . 4.22 2201 2108 A 93 PRO HA A 85 THR HA 1.0 . 4.61 2202 2109 A 82 TYR HBx A 85 THR HB 1.0 . 5.72 2203 2110 A 82 TYR H A 86 GLY HAy 1.0 . 6.00 2204 2111 A 90 ILE HB A 87 HIS HBx 1.0 . 4.07 2205 2112 A 90 ILE HG1x A 90 ILE HA 1.0 . 3.48 2206 2113 A 90 ILE HG2% A 36 PHE HA 1.0 . 4.09 2207 2114 A 90 ILE HD1% A 87 HIS HBx 1.0 . 4.40 2208 2115 A 20 GLN HE2y A 20 GLN HA 1.0 . 5.03 2209 2116 A 74 LEU HA A 74 LEU HDx% 1.0 . 4.13 2210 2117 A 91 ILE HG2% A 91 ILE HD1% 1.0 . 3.15 2211 2118 A 91 ILE HD1% A 97 LEU HDx% 1.0 . 3.43 2212 2119 A 93 PRO HA A 94 HIS HA 1.0 . 4.66 2213 2120 A 96 THR HG2% A 95 ALA HA 1.0 . 5.49 2214 2121 A 78 PRO HGy A 95 ALA HA 1.0 . 4.75 2215 2122 A 78 PRO HGy A 96 THR HA 1.0 . 4.37 2216 2123 A 96 THR HG2% A 96 THR HA 1.0 . 3.15 2217 2124 A 30 LEU HA A 97 LEU HBy 1.0 . 6.00 2218 2125 A 97 LEU HBy A 77 SER HA 1.0 . 6.00 2219 2126 A 98 VAL H A 98 VAL HB 1.0 . 3.67 2220 2127 A 99 PHE HA A 98 VAL HB 1.0 . 5.13 2221 2128 A 24 VAL HB A 101 VAL HGx% 1.0 . 4.57 2222 2129 A 68 VAL HA A 103 LEU HDy% 1.0 . 3.91 2223 2130 A 104 LEU HBx A 104 LEU HDy% 1.0 . 3.42 2224 2131 A 21 THR HB A 106 LEU HA 1.0 . 5.05 2225 2132 A 106 LEU H A 107 GLU HGy 1.0 . 5.91 2226 2133 A 21 THR H A 107 GLU HGy 1.0 . 6.00 2227 2134 A 68 VAL HGx% A 14 THR HB 1.0 . 3.98 2228 2135 A 56 ILE HG1x A 58 GLY H 1.0 . 4.89 2229 2136 A 51 GLY H A 50 LEU HG 1.0 . 4.69 2230 2137 A 91 ILE HD1% A 87 HIS HBy 1.0 . 5.34 2231 2138 A 2 VAL HGx% A 2 VAL HA 1.0 . 3.37 2232 2139 A 65 GLN HBx A 4 VAL HGy% 1.0 . 4.31 2233 2140 A 72 ALA HB% A 5 GLU HGy 1.0 . 6.00 2234 2141 A 72 ALA HB% A 5 GLU HGx 1.0 . 6.00 2235 2142 A 4 VAL HA A 5 GLU HGx 1.0 . 5.37 2236 2143 A 6 THR HG2% A 10 GLY H 1.0 . 4.61 2237 2144 A 6 THR HG2% A 71 ARG H 1.0 . 4.41 2238 2145 A 7 ILE HG2% A 71 ARG HDy 1.0 . 3.59 2239 2146 A 8 SER HA A 9 PRO HDy 1.0 . 2.88 2240 2147 A 8 SER HBx A 7 ILE HG1y 1.0 . 6.00 2241 2148 A 8 SER HA A 9 PRO HBy 1.0 . 4.90 2242 2149 A 75 THR HB A 3 GLN HBx 1.0 . 4.23 2243 2150 A 71 ARG H A 10 GLY HAy 1.0 . 5.16 2244 2151 A 67 SER HG A 12 GLY HAx 1.0 . 4.80 2245 2152 A 67 SER HG A 12 GLY HAy 1.0 . 4.83 2246 2153 A 13 ARG HD3 A 13 ARG HBx 1.0 . 3.39 2247 2153 A 13 ARG HBx A 13 ARG HD2 1.0 . 3.39 2248 2154 A 15 PHE HA A 16 PRO HDx 1.0 . 3.30 2249 2155 A 15 PHE HA A 16 PRO HDy 1.0 . 3.16 2250 2156 A 29 MET HA A 30 LEU HA 1.0 . 4.39 2251 2157 A 29 MET HA A 29 MET HGy 1.0 . 3.89 2252 2158 A 79 ASP HBy A 78 PRO HBy 1.0 . 5.09 2253 2159 A 16 PRO HA A 20 GLN HE2x 1.0 . 4.97 2254 2160 A 15 PHE H A 16 PRO HDy 1.0 . 5.25 2255 2161 A 19 GLY H A 18 ARG HBy 1.0 . 4.53 2256 2162 A 33 GLY HAy A 29 MET HBy 1.0 . 4.05 2257 2163 A 25 HIS HBy A 102 GLU HBx 1.0 . 5.48 2258 2164 A 26 TYR HA A 27 THR HA 1.0 . 5.42 2259 2165 A 102 GLU HA A 71 ARG HDy 1.0 . 5.77 2260 2166 A 71 ARG HA A 71 ARG HDy 1.0 . 5.40 2261 2167 A 33 GLY HAy A 29 MET HGx 1.0 . 4.01 2262 2168 A 102 GLU HA A 102 GLU HGy 1.0 . 4.15 2263 2169 A 25 HIS HBy A 45 PRO HA 1.0 . 5.15 2264 2170 A 24 VAL HB A 45 PRO HB2 1.0 . 6.00 2265 2170 A 24 VAL HB A 45 PRO HB3 1.0 . 6.00 2266 2171 A 71 ARG HBx A 71 ARG HE 1.0 . 5.09 2267 2172 A 60 GLU HBx A 51 GLY HAy 1.0 . 6.00 2268 2173 A 55 VAL HGy% A 59 TRP HA 1.0 . 5.00 2269 2174 A 59 TRP HA A 59 TRP HE1 1.0 . 5.10 2270 2175 A 56 ILE HB A 59 TRP HA 1.0 . 6.00 2271 2176 A 59 TRP HA A 60 GLU HBy 1.0 . 6.00 2272 2177 A 65 GLN HBy A 72 ALA HB% 1.0 . 4.98 2273 2178 A 61 GLU HBy A 58 GLY HAy 1.0 . 4.21 2274 2179 A 66 MET HGx A 65 GLN HA 1.0 . 4.98 2275 2180 A 70 GLN HE2y A 66 MET HE% 1.0 . 4.72 2276 2181 A 69 GLY HAy A 70 GLN HB2 1.0 . 5.14 2277 2181 A 70 GLN HB3 A 69 GLY HAy 1.0 . 5.14 2278 2182 A 70 GLN HE2y A 70 GLN HB2 1.0 . 5.09 2279 2182 A 70 GLN HE2y A 70 GLN HB3 1.0 . 5.09 2280 2183 A 72 ALA HB% A 101 VAL H 1.0 . 5.15 2281 2184 A 74 LEU HBy A 58 GLY HAx 1.0 . 5.94 2282 2185 A 62 GLY HAx A 74 LEU HBx 1.0 . 5.43 2283 2186 A 74 LEU HBx A 76 ILE HG1x 1.0 . 5.51 2284 2187 A 48 PHE HBx A 54 GLU HBy 1.0 . 4.90 2285 2188 A 14 THR HG2% A 15 PHE HBy 1.0 . 5.48 2286 2189 A 80 TYR HD% A 79 ASP HBy 1.0 . 4.24 2287 2190 A 56 ILE HG1x A 81 ALA HA 1.0 . 5.41 2288 2191 A 82 TYR HBy A 86 GLY HAx 1.0 . 4.56 2289 2192 A 82 TYR HBy A 86 GLY HAy 1.0 . 4.68 2290 2193 A 106 LEU HA A 23 VAL HB 1.0 . 5.12 2291 2194 A 106 LEU HA A 107 GLU HBx 1.0 . 5.82 2292 2195 A 106 LEU HBx A 21 THR HB 1.0 . 6.00 2293 2196 A 103 LEU H A 103 LEU HDx% 1.0 . 5.08 2294 2197 A 16 PRO HDy A 103 LEU HDy% 1.0 . 3.53 2295 2198 A 93 PRO HDx A 92 PRO HBy 1.0 . 3.73 2296 2199 A 87 HIS HBx A 90 ILE HG1x 1.0 . 5.74 2297 2200 A 87 HIS HA A 88 PRO HBy 1.0 . 5.05 2298 2201 A 91 ILE HB A 88 PRO HA 1.0 . 5.74 2299 2202 A 81 ALA HB% A 78 PRO HDy 1.0 . 5.50 2300 2203 A 85 THR HB A 84 ALA HA 1.0 . 6.00 2301 2204 A 83 GLY HAy A 78 PRO HBy 1.0 . 4.99 2302 2205 A 7 ILE HG2% A 8 SER HBy 1.0 . 5.08 2303 2206 A 75 THR HB A 76 ILE HD1% 1.0 . 5.05 2304 2207 A 2 VAL HGx% A 65 GLN HE2y 1.0 . 4.01 2305 2208 A 2 VAL HGx% A 62 GLY HAy 1.0 . 4.31 2306 2209 A 10 GLY HAx A 9 PRO HBx 1.0 . 4.98 2307 2210 A 8 SER HA A 9 PRO HBx 1.0 . 5.59 2308 2211 A 6 THR HG2% A 9 PRO HBy 1.0 . 4.23 2309 2212 A 6 THR HA A 7 ILE HG1y 1.0 . 4.85 2310 2213 A 8 SER HBx A 7 ILE HG2% 1.0 . 3.94 2311 2214 A 7 ILE HD1% A 8 SER HBx 1.0 . 5.96 2312 2215 A 78 PRO HGx A 94 HIS HBx 1.0 . 4.93 2313 2216 A 93 PRO HDx A 92 PRO HG2 1.0 . 4.02 2314 2216 A 93 PRO HDx A 92 PRO HG3 1.0 . 4.02 2315 2217 A 13 ARG HGy A 12 GLY HAy 1.0 . 6.00 2316 2218 A 13 ARG H A 13 ARG HBx 1.0 . 4.08 2317 2219 A 93 PRO HGy A 94 HIS HD2 1.0 . 4.41 2318 2220 A 23 VAL HGx% A 25 HIS HD2 1.0 . 4.97 2319 2221 A 101 VAL HGy% A 48 PHE HE% 1.0 . 5.42 2320 2222 A 24 VAL HB A 48 PHE HE% 1.0 . 5.09 2321 2223 A 99 PHE H A 98 VAL HGx% 1.0 . 4.33 2322 2224 A 102 GLU HBx A 25 HIS HBx 1.0 . 5.72 2323 2225 A 28 GLY HAy A 29 MET HBy 1.0 . 5.48 2324 2226 A 30 LEU H A 30 LEU HDy% 1.0 . 4.29 2325 2227 A 92 PRO HDx A 30 LEU HDy% 1.0 . 4.70 2326 2228 A 92 PRO HDy A 30 LEU HDy% 1.0 . 4.36 2327 2229 A 53 GLN HA A 54 GLU HA 1.0 . 4.75 2328 2230 A 60 GLU HGx A 55 VAL HB 1.0 . 4.70 2329 2231 A 56 ILE HG2% A 57 ARG HA 1.0 . 5.74 2330 2232 A 65 GLN HBy A 62 GLY HAy 1.0 . 4.14 2331 2233 A 15 PHE HD% A 65 GLN HA 1.0 . 4.00 2332 2234 A 15 PHE HE% A 65 GLN HA 1.0 . 4.20 2333 2235 A 66 MET HE% A 63 VAL HA 1.0 . 4.09 2334 2236 A 66 MET HE% A 70 GLN HA 1.0 . 5.13 2335 2237 A 66 MET HE% A 101 VAL H 1.0 . 4.83 2336 2238 A 67 SER HBy A 68 VAL HGy% 1.0 . 5.11 2337 2239 A 68 VAL HGx% A 67 SER HBy 1.0 . 5.86 2338 2240 A 69 GLY HAx A 70 GLN HB2 1.0 . 4.79 2339 2240 A 70 GLN HB3 A 69 GLY HAx 1.0 . 4.79 2340 2241 A 102 GLU HA A 71 ARG HBy 1.0 . 4.65 2341 2242 A 71 ARG HBx A 102 GLU HA 1.0 . 5.25 2342 2243 A 96 THR HG2% A 78 PRO HDy 1.0 . 4.47 2343 2244 A 78 PRO HDy A 77 SER HA 1.0 . 3.23 2344 2245 A 80 TYR HBy A 58 GLY HAy 1.0 . 4.77 2345 2246 A 56 ILE HB A 80 TYR HBy 1.0 . 6.00 2346 2247 A 81 ALA HA A 76 ILE HB 1.0 . 4.77 2347 2248 A 83 GLY HAx A 84 ALA HB% 1.0 . 4.89 2348 2249 A 81 ALA HB% A 58 GLY HAx 1.0 . 5.91 2349 2250 A 81 ALA HB% A 77 SER HA 1.0 . 4.75 2350 2251 A 81 ALA HB% A 86 GLY HAx 1.0 . 6.00 2351 2252 A 91 ILE HA A 92 PRO HG2 1.0 . 4.38 2352 2252 A 91 ILE HA A 92 PRO HG3 1.0 . 4.38 2353 2253 A 95 ALA HA A 92 PRO HG2 1.0 . 4.85 2354 2253 A 95 ALA HA A 92 PRO HG3 1.0 . 4.85 2355 2254 A 91 ILE HG1x A 90 ILE HB 1.0 . 4.95 2356 2255 A 91 ILE HD1% A 90 ILE HB 1.0 . 5.27 2357 2256 A 92 PRO HDx A 30 LEU HDx% 1.0 . 4.70 2358 2257 A 97 LEU HBx A 99 PHE HBx 1.0 . 6.00 2359 2258 A 36 PHE HZ A 97 LEU HDx% 1.0 . 3.58 2360 2259 A 36 PHE HD% A 30 LEU HDy% 1.0 . 3.69 2361 2260 A 101 VAL HGx% A 99 PHE HA 1.0 . 5.11 2362 2261 A 71 ARG HA A 102 GLU HBy 1.0 . 4.87 2363 2262 A 25 HIS HBy A 102 GLU HGy 1.0 . 4.84 2364 2263 A 103 LEU HBy A 66 MET HE% 1.0 . 3.65 2365 2264 A 104 LEU HDx% A 25 HIS HBy 1.0 . 4.03 2366 2265 A 106 LEU HA A 107 GLU HGy 1.0 . 4.07 2367 2266 A 14 THR HA A 13 ARG HA 1.0 . 4.57 2368 2267 A 14 THR HB A 13 ARG HA 1.0 . 5.92 2369 2268 A 75 THR HG2% A 76 ILE HA 1.0 . 4.13 2370 2269 A 66 MET HA A 66 MET HGx 1.0 . 3.56 2371 2270 A 22 CYS HA A 23 VAL HA 1.0 . 4.53 2372 2271 A 59 TRP H A 76 ILE HG2% 1.0 . 4.84 2373 2272 A 13 ARG H A 14 THR HA 1.0 . 4.61 2374 2273 A 23 VAL H A 22 CYS HBy 1.0 . 4.74 2375 2274 A 36 PHE H A 37 ASP HBy 1.0 . 5.67 2376 2275 A 43 ASN H A 40 ARG HBx 1.0 . 6.00 2377 2276 A 60 GLU HA A 63 VAL H 1.0 . 4.39 2378 2277 A 2 VAL HB A 77 SER H 1.0 . 4.84 2379 2278 A 2 VAL H A 0 MET HGx 1.0 . 5.58 2380 2279 A 18 ARG H A 18 ARG HD2 1.0 . 4.47 2381 2279 A 18 ARG H A 18 ARG HD3 1.0 . 4.47 2382 2280 A 21 THR HB A 22 CYS H 1.0 . 4.01 2383 2281 A 25 HIS H A 102 GLU HBy 1.0 . 4.72 2384 2282 A 27 THR H A 100 ASP HBx 1.0 . 4.13 2385 2283 A 36 PHE H A 29 MET HGy 1.0 . 4.70 2386 2284 A 42 ARG H A 39 SER HA 1.0 . 4.51 2387 2285 A 39 SER H A 27 THR HA 1.0 . 4.31 2388 2286 A 55 VAL HGx% A 54 GLU H 1.0 . 4.88 2389 2287 A 55 VAL HGy% A 59 TRP H 1.0 . 4.37 2390 2288 A 83 GLY HAx A 85 THR H 1.0 . 3.72 2391 2289 A 96 THR H A 31 GLU HBx 1.0 . 5.69 2392 2290 A 21 THR HA A 50 LEU H 1.0 . 4.79 2393 2291 A 75 THR HG2% A 99 PHE H 1.0 . 5.17 2394 2292 A 3 GLN HE2x A 75 THR HB 1.0 . 5.32 2395 2293 A 20 GLN HE2x A 106 LEU HDx% 1.0 . 4.58 2396 2294 A 20 GLN HBy A 20 GLN HE2x 1.0 . 5.16 2397 2295 A 2 VAL HGx% A 65 GLN HE2x 1.0 . 3.93 2398 2296 A 65 GLN HGy A 65 GLN HE2y 1.0 . 3.39 2399 2297 A 0 MET HE% A 0 MET HGy 1.0 . 4.19 2400 2298 A 2 VAL HGx% A 58 GLY HAy 1.0 . 3.78 2401 2299 A 76 ILE HD1% A 58 GLY HAx 1.0 . 3.63 2402 2300 A 76 ILE HD1% A 59 TRP HA 1.0 . 3.57 2403 2301 A 3 GLN HA A 3 GLN HGx 1.0 . 3.71 2404 2302 A 3 GLN HA A 3 GLN HGy 1.0 . 3.71 2405 2303 A 66 MET HGx A 4 VAL HGy% 1.0 . 4.05 2406 2304 A 65 GLN HBx A 4 VAL HGx% 1.0 . 4.31 2407 2305 A 7 ILE HG1y A 7 ILE HG2% 1.0 . 3.29 2408 2306 A 71 ARG HBy A 8 SER HBy 1.0 . 4.18 2409 2307 A 71 ARG HBx A 8 SER HBx 1.0 . 3.97 2410 2308 A 70 GLN HGy A 6 THR HG2% 1.0 . 3.52 2411 2309 A 6 THR HG2% A 9 PRO HDx 1.0 . 3.70 2412 2310 A 14 THR HG2% A 14 THR HA 1.0 . 2.91 2413 2311 A 16 PRO HA A 106 LEU HDx% 1.0 . 3.35 2414 2312 A 42 ARG HGy A 42 ARG HA 1.0 . 3.71 2415 2313 A 64 ALA HA A 63 VAL HGx% 1.0 . 4.62 2416 2314 A 18 ARG HBx A 18 ARG HD2 1.0 . 2.89 2417 2314 A 18 ARG HBx A 18 ARG HD3 1.0 . 2.89 2418 2315 A 20 GLN HBx A 20 GLN HA 1.0 . 2.97 2419 2316 A 23 VAL HGy% A 107 GLU HGx 1.0 . 3.83 2420 2317 A 23 VAL HGy% A 107 GLU HGy 1.0 . 3.23 2421 2318 A 103 LEU HA A 103 LEU HDy% 1.0 . 3.93 2422 2319 A 48 PHE HE% A 24 VAL HGy% 1.0 . 3.56 2423 2320 A 25 HIS HBy A 104 LEU HDy% 1.0 . 3.43 2424 2321 A 101 VAL HGx% A 26 TYR HBy 1.0 . 4.50 2425 2322 A 101 VAL HGx% A 99 PHE HBy 1.0 . 3.23 2426 2323 A 100 ASP H A 27 THR HB 1.0 . 4.58 2427 2324 A 28 GLY HAx A 36 PHE HD% 1.0 . 4.42 2428 2325 A 29 MET HA A 29 MET HGx 1.0 . 3.53 2429 2326 A 33 GLY HAx A 29 MET HBy 1.0 . 5.58 2430 2327 A 36 PHE HBx A 30 LEU HDy% 1.0 . 4.73 2431 2328 A 50 LEU HBx A 18 ARG HA 1.0 . 3.86 2432 2329 A 107 GLU HGx A 107 GLU HA 1.0 . 3.13 2433 2330 A 40 ARG HA A 43 ASN HA 1.0 . 3.65 2434 2331 A 46 PHE HA A 45 PRO HB2 1.0 . 4.49 2435 2331 A 46 PHE HA A 45 PRO HB3 1.0 . 4.49 2436 2332 A 50 LEU HG A 50 LEU HA 1.0 . 3.63 2437 2333 A 50 LEU HBy A 50 LEU HDx% 1.0 . 3.25 2438 2334 A 50 LEU HBx A 50 LEU HDx% 1.0 . 3.35 2439 2335 A 18 ARG HGy A 51 GLY HAy 1.0 . 4.60 2440 2336 A 55 VAL HGx% A 55 VAL HA 1.0 . 2.99 2441 2337 A 55 VAL HGy% A 59 TRP HE3 1.0 . 3.87 2442 2338 A 56 ILE HG2% A 56 ILE HG1y 1.0 . 3.24 2443 2339 A 76 ILE HD1% A 76 ILE HB 1.0 . 3.44 2444 2340 A 76 ILE HD1% A 58 GLY HAy 1.0 . 3.81 2445 2341 A 2 VAL HB A 58 GLY HAy 1.0 . 3.95 2446 2342 A 60 GLU HA A 60 GLU HGy 1.0 . 3.72 2447 2343 A 57 ARG HA A 60 GLU HBy 1.0 . 3.67 2448 2344 A 60 GLU HGx A 60 GLU HA 1.0 . 3.59 2449 2345 A 61 GLU HA A 61 GLU HGy 1.0 . 3.84 2450 2346 A 63 VAL HA A 63 VAL HGx% 1.0 . 3.35 2451 2347 A 3 GLN HBy A 75 THR HB 1.0 . 3.50 2452 2348 A 103 LEU HBy A 103 LEU HDy% 1.0 . 3.43 2453 2349 A 60 GLU HA A 63 VAL HB 1.0 . 4.29 2454 2350 A 64 ALA HB% A 65 GLN HGy 1.0 . 4.06 2455 2351 A 66 MET HGy A 101 VAL HGy% 1.0 . 4.17 2456 2352 A 71 ARG HA A 71 ARG HGx 1.0 . 4.01 2457 2353 A 71 ARG HA A 102 GLU HBx 1.0 . 4.49 2458 2354 A 72 ALA HB% A 70 GLN HB2 1.0 . 4.80 2459 2354 A 70 GLN HB3 A 72 ALA HB% 1.0 . 4.80 2460 2355 A 103 LEU HG A 70 GLN HB2 1.0 . 5.19 2461 2355 A 70 GLN HB3 A 103 LEU HG 1.0 . 5.19 2462 2356 A 72 ALA HB% A 66 MET HBx 1.0 . 3.67 2463 2357 A 74 LEU HA A 4 VAL HGx% 1.0 . 4.42 2464 2358 A 74 LEU HA A 74 LEU HDy% 1.0 . 4.13 2465 2359 A 76 ILE HD1% A 74 LEU HBy 1.0 . 2.98 2466 2360 A 76 ILE HD1% A 76 ILE HG2% 1.0 . 2.80 2467 2361 A 76 ILE HG2% A 81 ALA HB% 1.0 . 3.13 2468 2362 A 75 THR HA A 98 VAL HGx% 1.0 . 4.50 2469 2363 A 81 ALA HB% A 78 PRO HA 1.0 . 3.38 2470 2364 A 78 PRO HDx A 77 SER HBy 1.0 . 3.65 2471 2365 A 78 PRO HBy A 94 HIS HA 1.0 . 3.39 2472 2366 A 78 PRO HGy A 94 HIS HA 1.0 . 3.90 2473 2367 A 84 ALA HA A 85 THR HA 1.0 . 5.96 2474 2368 A 91 ILE HG2% A 92 PRO HDy 1.0 . 3.66 2475 2369 A 90 ILE HD1% A 90 ILE HB 1.0 . 3.48 2476 2370 A 91 ILE HG2% A 91 ILE HG1x 1.0 . 3.67 2477 2371 A 93 PRO HDy A 92 PRO HBx 1.0 . 3.83 2478 2372 A 95 ALA HB% A 93 PRO HDx 1.0 . 4.93 2479 2373 A 97 LEU HBx A 97 LEU HDy% 1.0 . 3.20 2480 2374 A 75 THR HG2% A 98 VAL HA 1.0 . 3.93 2481 2375 A 101 VAL HA A 101 VAL HGy% 1.0 . 3.32 2482 2376 A 101 VAL HGx% A 100 ASP H 1.0 . 4.24 2483 2377 A 102 GLU HA A 66 MET HE% 1.0 . 3.51 2484 2378 A 102 GLU HGy A 104 LEU HDy% 1.0 . 2.93 2485 2379 A 16 PRO HDy A 103 LEU HDx% 1.0 . 3.53 2486 2380 A 104 LEU HDx% A 45 PRO HB2 1.0 . 2.90 2487 2380 A 104 LEU HDx% A 45 PRO HB3 1.0 . 2.90 2488 2381 A 4 VAL HA A 4 VAL HGy% 1.0 . 3.32 2489 2382 A 14 THR HG2% A 68 VAL HGy% 1.0 . 2.66 2490 2383 A 107 GLU HBy A 107 GLU HGy 1.0 . 2.98 2491 2384 A 6 THR HG2% A 9 PRO HA 1.0 . 3.34 2492 2385 A 30 LEU HG A 30 LEU HA 1.0 . 3.58 2493 2386 A 104 LEU HG A 103 LEU HA 1.0 . 3.93 2494 2387 A 95 ALA HB% A 92 PRO HG2 1.0 . 3.34 2495 2387 A 95 ALA HB% A 92 PRO HG3 1.0 . 3.34 2496 2388 A 104 LEU HBy A 104 LEU HDy% 1.0 . 2.76 2497 2389 A 53 GLN HA A 53 GLN HGy 1.0 . 3.57 2498 2390 A 68 VAL HB A 14 THR HG2% 1.0 . 3.73 2499 2391 A 53 GLN HA A 53 GLN HB2 1.0 . 2.91 2500 2391 A 53 GLN HA A 53 GLN HB3 1.0 . 2.91 2501 2392 A 68 VAL HGy% A 16 PRO HDy 1.0 . 4.66 2502 2393 A 76 ILE HD1% A 76 ILE HA 1.0 . 3.48 2503 2394 A 82 TYR HD% A 97 LEU HG 1.0 . 5.33 2504 2395 A 36 PHE HE% A 37 ASP HBx 1.0 . 4.43 2505 2396 A 36 PHE HZ A 91 ILE HD1% 1.0 . 4.27 2506 2397 A 50 LEU HA A 48 PHE HE% 1.0 . 3.85 2507 2398 A 99 PHE HD% A 26 TYR HBy 1.0 . 4.72 2508 2399 A 20 GLN HE2y A 106 LEU HDx% 1.0 . 5.17 2509 2400 A 20 GLN HE2x A 106 LEU HDy% 1.0 . 4.58 2510 2401 A 55 VAL HGx% A 46 PHE HD% 1.0 . 3.98 2511 2402 A 86 GLY HAx A 92 PRO HA 1.0 . 5.48 2512 2403 A 2 VAL HGy% A 62 GLY HAx 1.0 . 3.56 2513 2404 A 28 GLY HAx A 99 PHE HBx 1.0 . 6.00 2514 2405 A 56 ILE HB A 57 ARG HA 1.0 . 5.38 2515 2406 A 56 ILE HD1% A 57 ARG HA 1.0 . 5.84 2516 2407 A 101 VAL HGy% A 100 ASP HA 1.0 . 4.30 2517 2408 A 71 ARG HBx A 71 ARG HDy 1.0 . 3.68 2518 2409 A 28 GLY HAx A 99 PHE HBy 1.0 . 5.77 2519 2410 A 28 GLY HAy A 29 MET HE% 1.0 . 4.73 2520 2411 A 56 ILE HA A 59 TRP H 1.0 . 4.82 2521 2412 A 91 ILE HG2% A 92 PRO HA 1.0 . 4.76 2522 2413 A 49 MET HA A 19 GLY HAy 1.0 . 5.29 2523 2414 A 13 ARG HA A 12 GLY HAy 1.0 . 5.53 2524 2415 A 12 GLY HAx A 13 ARG HA 1.0 . 5.22 2525 2416 A 14 THR HG2% A 67 SER HA 1.0 . 5.13 2526 2417 A 62 GLY HAx A 63 VAL HA 1.0 . 4.41 2527 2418 A 67 SER HBx A 66 MET HA 1.0 . 4.73 2528 2419 A 67 SER HBy A 13 ARG HA 1.0 . 5.38 2529 2420 A 10 GLY HAx A 69 GLY HAy 1.0 . 5.35 2530 2421 A 7 ILE HG2% A 71 ARG HDx 1.0 . 3.96 2531 2422 A 71 ARG HBy A 71 ARG HDx 1.0 . 3.71 2532 2423 A 6 THR H A 7 ILE HA 1.0 . 5.44 2533 2424 A 92 PRO HA A 93 PRO HDy 1.0 . 3.40 2534 2425 A 92 PRO HA A 93 PRO HDx 1.0 . 3.17 2535 2426 A 68 VAL HGy% A 15 PHE H 1.0 . 4.87 2536 2427 A 28 GLY HAy A 27 THR H 1.0 . 4.75 2537 2428 A 28 GLY HAy A 98 VAL H 1.0 . 5.13 2538 2429 A 104 LEU H A 25 HIS HBy 1.0 . 6.00 2539 2430 A 98 VAL H A 98 VAL HGy% 1.0 . 4.31 2540 2431 A 36 PHE HD% A 90 ILE HD1% 1.0 . 5.02 2541 2432 A 103 LEU HA A 102 GLU HA 1.0 . 5.60 2542 2433 A 103 LEU HA A 102 GLU HGy 1.0 . 5.16 2543 2434 A 104 LEU HBx A 103 LEU HA 1.0 . 4.93 2544 2435 A 103 LEU HA A 104 LEU HBy 1.0 . 5.91 2545 2436 A 68 VAL HGy% A 15 PHE HA 1.0 . 4.13 2546 2437 A 38 SER HA A 39 SER HA 1.0 . 4.41 2547 2438 A 3 GLN HA A 4 VAL HB 1.0 . 4.86 2548 2439 A 6 THR HA A 5 GLU HA 1.0 . 4.78 2549 2440 A 5 GLU HA A 6 THR HB 1.0 . 4.79 2550 2441 A 14 THR HA A 67 SER HA 1.0 . 5.48 2551 2442 A 14 THR HB A 67 SER HA 1.0 . 4.78 2552 2443 A 66 MET HA A 16 PRO HDx 1.0 . 5.92 2553 2444 A 67 SER HA A 16 PRO HDy 1.0 . 4.28 2554 2445 A 21 THR HA A 49 MET HA 1.0 . 3.17 2555 2446 A 23 VAL HGy% A 23 VAL HA 1.0 . 3.26 2556 2447 A 28 GLY HAy A 27 THR HA 1.0 . 5.11 2557 2448 A 28 GLY HAx A 37 ASP HA 1.0 . 5.94 2558 2449 A 30 LEU HA A 31 GLU HA 1.0 . 4.60 2559 2450 A 66 MET HA A 65 GLN HBy 1.0 . 4.80 2560 2451 A 56 ILE HG2% A 82 TYR HA 1.0 . 4.74 2561 2452 A 66 MET HA A 65 GLN HA 1.0 . 4.68 2562 2453 A 78 PRO HA A 77 SER HA 1.0 . 4.44 2563 2454 A 78 PRO HGx A 77 SER HA 1.0 . 5.15 2564 2455 A 92 PRO HA A 93 PRO HGx 1.0 . 5.49 2565 2456 A 83 GLY HAx A 82 TYR HA 1.0 . 4.79 2566 2457 A 20 GLN HA A 49 MET HA 1.0 . 5.02 2567 2458 A 95 ALA HA A 96 THR HA 1.0 . 4.51 2568 2459 A 95 ALA HB% A 96 THR HA 1.0 . 4.59 2569 2460 A 95 ALA HB% A 92 PRO HA 1.0 . 4.56 2570 2461 A 97 LEU HA A 96 THR HA 1.0 . 4.98 2571 2462 A 30 LEU HA A 97 LEU HA 1.0 . 4.33 2572 2463 A 97 LEU HBy A 96 THR HA 1.0 . 5.06 2573 2464 A 97 LEU HBx A 96 THR HA 1.0 . 5.78 2574 2465 A 103 LEU HA A 103 LEU HDx% 1.0 . 3.93 2575 2466 A 49 MET HA A 49 MET HG2 1.0 . 3.48 2576 2466 A 49 MET HG3 A 49 MET HA 1.0 . 3.48 2577 2467 A 77 SER HA A 96 THR HA 1.0 . 3.14 2578 2468 A 78 PRO HBy A 84 ALA HA 1.0 . 4.73 2579 2469 A 84 ALA HB% A 78 PRO HBy 1.0 . 5.17 2580 2470 A 18 ARG H A 18 ARG HGy 1.0 . 4.82 2581 2471 A 82 TYR HBx A 87 HIS HA 1.0 . 6.00 2582 2472 A 15 PHE HD% A 16 PRO HDy 1.0 . 4.51 2583 2473 A 15 PHE HD% A 16 PRO HDx 1.0 . 3.69 2584 2474 A 15 PHE HD% A 15 PHE HA 1.0 . 3.47 2585 2475 A 15 PHE HD% A 67 SER HA 1.0 . 4.38 2586 2476 A 36 PHE HD% A 36 PHE HA 1.0 . 3.86 2587 2477 A 26 TYR HD% A 38 SER HA 1.0 . 4.58 2588 2478 A 36 PHE HE% A 91 ILE HD1% 1.0 . 3.79 2589 2479 A 36 PHE HE% A 97 LEU HG 1.0 . 4.60 2590 2480 A 37 ASP HBy A 36 PHE HE% 1.0 . 4.04 2591 2481 A 28 GLY HAy A 36 PHE HE% 1.0 . 4.51 2592 2482 A 36 PHE HE% A 97 LEU HA 1.0 . 4.45 2593 2483 A 26 TYR HE% A 36 PHE HE% 1.0 . 5.27 2594 2484 A 36 PHE HE% A 82 TYR HE% 1.0 . 5.47 2595 2485 A 36 PHE HE% A 30 LEU H 1.0 . 4.54 2596 2486 A 36 PHE HE% A 98 VAL H 1.0 . 4.34 2597 2487 A 36 PHE HE% A 99 PHE HZ 1.0 . 3.99 2598 2488 A 36 PHE HZ A 99 PHE HZ 1.0 . 3.74 2599 2489 A 55 VAL HGx% A 46 PHE HZ 1.0 . 3.56 2600 2490 A 48 PHE HBx A 46 PHE HZ 1.0 . 4.52 2601 2491 A 30 LEU HG A 36 PHE HD% 1.0 . 3.93 2602 2492 A 55 VAL HGx% A 48 PHE HZ 1.0 . 5.00 2603 2493 A 48 PHE HZ A 63 VAL HGy% 1.0 . 3.05 2604 2494 A 63 VAL HB A 48 PHE HZ 1.0 . 3.50 2605 2495 A 48 PHE HZ A 59 TRP HB2 1.0 . 4.57 2606 2495 A 59 TRP HB3 A 48 PHE HZ 1.0 . 4.57 2607 2496 A 2 VAL HGx% A 80 TYR HD% 1.0 . 3.56 2608 2497 A 80 TYR HD% A 76 ILE HG2% 1.0 . 4.05 2609 2498 A 57 ARG HBy A 80 TYR HD% 1.0 . 4.47 2610 2499 A 80 TYR HD% A 79 ASP HBx 1.0 . 3.81 2611 2500 A 80 TYR HA A 80 TYR HD% 1.0 . 3.78 2612 2501 A 80 TYR HD% A 58 GLY H 1.0 . 4.18 2613 2502 A 80 TYR HE% A 57 ARG HGx 1.0 . 4.03 2614 2503 A 80 TYR HE% A 2 VAL HB 1.0 . 4.35 2615 2504 A 80 TYR HE% A 61 GLU HBy 1.0 . 4.62 2616 2505 A 80 TYR HE% A 57 ARG HDx 1.0 . 4.97 2617 2506 A 80 TYR HE% A 57 ARG HDy 1.0 . 3.83 2618 2507 A 80 TYR HE% A 58 GLY HAy 1.0 . 4.43 2619 2508 A 80 TYR HE% A 80 TYR HA 1.0 . 4.45 2620 2509 A 80 TYR HE% A 2 VAL H 1.0 . 5.40 2621 2510 A 80 TYR HE% A 58 GLY H 1.0 . 5.04 2622 2511 A 82 TYR HD% A 91 ILE HD1% 1.0 . 4.37 2623 2512 A 56 ILE HG2% A 82 TYR HD% 1.0 . 4.08 2624 2513 A 82 TYR HD% A 91 ILE HG2% 1.0 . 3.25 2625 2514 A 82 TYR H A 82 TYR HD% 1.0 . 4.19 2626 2515 A 48 PHE HBx A 59 TRP HZ3 1.0 . 4.88 2627 2516 A 59 TRP HZ3 A 59 TRP HB2 1.0 . 5.52 2628 2516 A 59 TRP HB3 A 59 TRP HZ3 1.0 . 5.52 2629 2517 A 46 PHE HE% A 59 TRP HZ3 1.0 . 3.80 2630 2518 A 55 VAL HGx% A 59 TRP HH2 1.0 . 4.71 2631 2519 A 104 LEU HDx% A 25 HIS HD2 1.0 . 3.11 2632 2520 A 104 LEU HG A 25 HIS HD2 1.0 . 4.40 2633 2521 A 25 HIS HD2 A 45 PRO HB2 1.0 . 4.19 2634 2521 A 25 HIS HD2 A 45 PRO HB3 1.0 . 4.19 2635 2522 A 25 HIS HD2 A 45 PRO HDx 1.0 . 4.99 2636 2523 A 93 PRO HBx A 94 HIS HD2 1.0 . 4.22 2637 2524 A 15 PHE HD% A 16 PRO HGy 1.0 . 4.83 2638 2525 A 25 HIS HD2 A 45 PRO HGx 1.0 . 4.39 2639 2526 A 46 PHE HBy A 26 TYR HD% 1.0 . 4.21 2640 2527 A 30 LEU H A 36 PHE HD% 1.0 . 3.57 2641 2528 A 36 PHE HZ A 82 TYR HE% 1.0 . 5.21 2642 2529 A 36 PHE HZ A 97 LEU HDy% 1.0 . 3.58 2643 2530 A 36 PHE HZ A 97 LEU HBy 1.0 . 4.35 2644 2531 A 28 GLY HAx A 36 PHE HZ 1.0 . 4.30 2645 2532 A 67 SER HBx A 15 PHE HD% 1.0 . 4.07 2646 2533 A 15 PHE HE% A 13 ARG HBx 1.0 . 5.17 2647 2534 A 15 PHE HE% A 13 ARG HBy 1.0 . 5.17 2648 2535 A 15 PHE HE% A 65 GLN HBy 1.0 . 6.00 2649 2536 A 15 PHE HE% A 66 MET HBx 1.0 . 6.00 2650 2537 A 15 PHE HE% A 70 GLN HB2 1.0 . 6.00 2651 2537 A 70 GLN HB3 A 15 PHE HE% 1.0 . 6.00 2652 2538 A 67 SER HBx A 15 PHE HE% 1.0 . 3.95 2653 2539 A 15 PHE HE% A 12 GLY HAx 1.0 . 4.41 2654 2540 A 67 SER HBy A 15 PHE HE% 1.0 . 4.97 2655 2541 A 15 PHE HE% A 12 GLY HAy 1.0 . 5.35 2656 2542 A 15 PHE HE% A 16 PRO HDx 1.0 . 5.83 2657 2543 A 15 PHE HE% A 14 THR HA 1.0 . 5.32 2658 2544 A 15 PHE HE% A 15 PHE HA 1.0 . 4.84 2659 2545 A 15 PHE HE% A 15 PHE H 1.0 . 4.52 2660 2546 A 12 GLY H A 15 PHE HE% 1.0 . 5.14 2661 2547 A 14 THR H A 15 PHE HE% 1.0 . 4.87 2662 2548 A 67 SER HBx A 15 PHE HZ 1.0 . 4.48 2663 2549 A 12 GLY HAx A 15 PHE HZ 1.0 . 4.59 2664 2550 A 67 SER HBy A 15 PHE HZ 1.0 . 5.64 2665 2551 A 15 PHE HZ A 12 GLY HAy 1.0 . 5.66 2666 2552 A 13 ARG HA A 15 PHE HZ 1.0 . 5.33 2667 2553 A 26 TYR HD% A 28 GLY HAy 1.0 . 4.53 2668 2554 A 29 MET HA A 36 PHE HD% 1.0 . 3.60 2669 2555 A 25 HIS HA A 26 TYR HD% 1.0 . 4.26 2670 2556 A 29 MET H A 36 PHE HD% 1.0 . 4.92 2671 2557 A 36 PHE HE% A 97 LEU HBx 1.0 . 4.07 2672 2558 A 36 PHE HZ A 97 LEU HBx 1.0 . 4.16 2673 2559 A 48 PHE HD% A 48 PHE HA 1.0 . 4.77 2674 2560 A 48 PHE HD% A 49 MET HA 1.0 . 5.48 2675 2561 A 55 VAL HGy% A 48 PHE HE% 1.0 . 3.48 2676 2562 A 48 PHE HE% A 50 LEU HDx% 1.0 . 3.60 2677 2563 A 60 GLU HGx A 48 PHE HE% 1.0 . 3.76 2678 2564 A 63 VAL HB A 48 PHE HE% 1.0 . 4.45 2679 2565 A 48 PHE HE% A 59 TRP HB2 1.0 . 3.85 2680 2565 A 59 TRP HB3 A 48 PHE HE% 1.0 . 3.85 2681 2566 A 48 PHE HE% A 22 CYS HBy 1.0 . 4.34 2682 2567 A 48 PHE HE% A 22 CYS HBx 1.0 . 4.34 2683 2568 A 60 GLU HA A 48 PHE HE% 1.0 . 3.75 2684 2569 A 48 PHE H A 48 PHE HE% 1.0 . 4.58 2685 2570 A 51 GLY H A 48 PHE HE% 1.0 . 5.70 2686 2571 A 50 LEU HG A 48 PHE HZ 1.0 . 5.81 2687 2572 A 60 GLU HA A 48 PHE HZ 1.0 . 4.60 2688 2573 A 50 LEU HA A 48 PHE HZ 1.0 . 6.00 2689 2574 A 59 TRP HA A 48 PHE HZ 1.0 . 6.00 2690 2575 A 26 TYR HE% A 37 ASP HBx 1.0 . 3.68 2691 2576 A 46 PHE HBx A 26 TYR HE% 1.0 . 3.50 2692 2577 A 46 PHE HBy A 26 TYR HE% 1.0 . 3.37 2693 2578 A 26 TYR HE% A 39 SER HBx 1.0 . 4.00 2694 2579 A 38 SER HA A 26 TYR HE% 1.0 . 4.38 2695 2580 A 26 TYR HE% A 59 TRP HH2 1.0 . 4.03 2696 2581 A 26 TYR HE% A 59 TRP HZ2 1.0 . 4.23 2697 2582 A 26 TYR HE% A 39 SER HBy 1.0 . 4.00 2698 2583 A 25 HIS HD2 A 104 LEU HDy% 1.0 . 3.34 2699 2584 A 102 GLU HGx A 25 HIS HD2 1.0 . 5.17 2700 2585 A 25 HIS HBy A 25 HIS HD2 1.0 . 3.71 2701 2586 A 50 LEU H A 48 PHE HE% 1.0 . 4.85 2702 2587 A 56 ILE HD1% A 59 TRP HD1 1.0 . 2.82 2703 2588 A 56 ILE HG1x A 59 TRP HD1 1.0 . 3.71 2704 2589 A 59 TRP HD1 A 59 TRP HB2 1.0 . 3.87 2705 2589 A 59 TRP HB3 A 59 TRP HD1 1.0 . 3.87 2706 2590 A 59 TRP HA A 59 TRP HD1 1.0 . 3.43 2707 2591 A 59 TRP H A 59 TRP HD1 1.0 . 3.95 2708 2592 A 56 ILE HG1x A 59 TRP HE3 1.0 . 4.67 2709 2593 A 55 VAL HB A 59 TRP HE3 1.0 . 3.71 2710 2594 A 59 TRP HE3 A 59 TRP HB2 1.0 . 3.24 2711 2594 A 59 TRP HB3 A 59 TRP HE3 1.0 . 3.24 2712 2595 A 48 PHE HD% A 59 TRP HE3 1.0 . 4.35 2713 2596 A 56 ILE H A 59 TRP HE3 1.0 . 4.38 2714 2597 A 101 VAL HGx% A 59 TRP HZ2 1.0 . 3.66 2715 2598 A 26 TYR HBy A 59 TRP HZ2 1.0 . 3.83 2716 2599 A 26 TYR HD% A 59 TRP HZ2 1.0 . 3.69 2717 2600 A 99 PHE HD% A 59 TRP HZ2 1.0 . 3.87 2718 2601 A 99 PHE HE% A 59 TRP HZ2 1.0 . 3.63 2719 2602 A 59 TRP HZ2 A 99 PHE HZ 1.0 . 5.58 2720 2603 A 46 PHE HBy A 59 TRP HZ3 1.0 . 5.51 2721 2604 A 101 VAL HGx% A 59 TRP HH2 1.0 . 4.46 2722 2605 A 26 TYR HBy A 59 TRP HH2 1.0 . 4.29 2723 2606 A 46 PHE HD% A 59 TRP HH2 1.0 . 4.23 2724 2607 A 26 TYR HD% A 59 TRP HH2 1.0 . 3.92 2725 2608 A 59 TRP HA A 59 TRP HE3 1.0 . 5.25 2726 2609 A 40 ARG HA A 25 HIS HE1 1.0 . 3.80 2727 2610 A 25 HIS HE1 A 45 PRO HA 1.0 . 4.34 2728 2611 A 40 ARG HGx A 25 HIS HE1 1.0 . 5.73 2729 2612 A 104 LEU HDx% A 25 HIS HE1 1.0 . 6.00 2730 2613 A 25 HIS HE1 A 45 PRO HGx 1.0 . 5.63 2731 2614 A 40 ARG HBx A 25 HIS HE1 1.0 . 4.74 2732 2615 A 57 ARG HBx A 80 TYR HD% 1.0 . 4.06 2733 2616 A 80 TYR HD% A 57 ARG HGy 1.0 . 5.22 2734 2617 A 80 TYR HD% A 58 GLY HAy 1.0 . 3.47 2735 2618 A 80 TYR HE% A 61 GLU HBx 1.0 . 4.67 2736 2619 A 80 TYR HE% A 57 ARG HGy 1.0 . 4.92 2737 2620 A 80 TYR HE% A 57 ARG HBx 1.0 . 4.45 2738 2621 A 82 TYR HD% A 86 GLY HAx 1.0 . 4.52 2739 2622 A 91 ILE HD1% A 82 TYR HE% 1.0 . 3.51 2740 2623 A 82 TYR HE% A 97 LEU HDx% 1.0 . 3.97 2741 2624 A 91 ILE HG1y A 82 TYR HE% 1.0 . 4.22 2742 2625 A 82 TYR HE% A 97 LEU HDy% 1.0 . 3.97 2743 2626 A 81 ALA HB% A 82 TYR HE% 1.0 . 3.69 2744 2627 A 87 HIS HBy A 82 TYR HE% 1.0 . 5.51 2745 2628 A 97 LEU HG A 82 TYR HE% 1.0 . 5.70 2746 2629 A 26 TYR HE% A 27 THR HA 1.0 . 4.50 2747 2630 A 82 TYR HE% A 99 PHE HZ 1.0 . 4.25 2748 2631 A 94 HIS HA A 94 HIS HD2 1.0 . 4.90 2749 2632 A 93 PRO HBy A 94 HIS HD2 1.0 . 3.53 2750 2633 A 26 TYR HBx A 99 PHE HD% 1.0 . 4.08 2751 2634 A 99 PHE HD% A 59 TRP HD1 1.0 . 4.68 2752 2635 A 99 PHE HD% A 26 TYR HE% 1.0 . 4.64 2753 2636 A 28 GLY HAy A 99 PHE HD% 1.0 . 4.56 2754 2637 A 99 PHE HD% A 56 ILE HD1% 1.0 . 4.04 2755 2638 A 99 PHE HD% A 28 GLY HAx 1.0 . 4.61 2756 2639 A 97 LEU HBx A 99 PHE HE% 1.0 . 4.15 2757 2640 A 97 LEU HBy A 99 PHE HE% 1.0 . 3.93 2758 2641 A 98 VAL H A 99 PHE HE% 1.0 . 5.79 2759 2642 A 26 TYR HE% A 99 PHE HE% 1.0 . 4.78 2760 2643 A 56 ILE HD1% A 99 PHE HZ 1.0 . 4.14 2761 2644 A 97 LEU HBx A 99 PHE HZ 1.0 . 4.70 2762 2645 A 76 ILE HB A 99 PHE HZ 1.0 . 5.29 2763 2646 A 97 LEU HBy A 99 PHE HZ 1.0 . 5.48 2764 2647 A 28 GLY HAx A 99 PHE HZ 1.0 . 5.05 2765 2648 A 91 ILE HD1% A 99 PHE HZ 1.0 . 4.92 2766 2649 A 59 TRP HE1 A 99 PHE HZ 1.0 . 5.36 2767 2650 A 14 THR HA A 15 PHE HD% 1.0 . 3.88 2768 2651 A 25 HIS HA A 26 TYR HE% 1.0 . 5.32 2769 2652 A 37 ASP HBy A 26 TYR HE% 1.0 . 4.82 2770 2653 A 29 MET HA A 36 PHE HE% 1.0 . 4.31 2771 2654 A 99 PHE HD% A 97 LEU HBx 1.0 . 4.45 2772 2655 A 84 ALA HB% A 94 HIS HE1 1.0 . 3.55 2773 2656 A 84 ALA HA A 94 HIS HE1 1.0 . 4.84 2774 2657 A 57 ARG HGx A 80 TYR HD% 1.0 . 3.73 2775 2658 A 2 VAL HGx% A 80 TYR HE% 1.0 . 3.58 2776 2659 A 81 ALA HB% A 82 TYR HD% 1.0 . 3.38 2777 2660 A 82 TYR HD% A 86 GLY HAy 1.0 . 4.63 2778 2661 A 94 HIS HD2 A 93 PRO HGx 1.0 . 4.54 2779 2662 A 26 TYR HE% A 46 PHE HD% 1.0 . 3.66 2780 2663 A 46 PHE H A 46 PHE HD% 1.0 . 4.56 2781 2664 A 14 THR H A 15 PHE HZ 1.0 . 5.89 2782 2665 A 46 PHE H A 26 TYR HE% 1.0 . 4.72 2783 2666 A 63 VAL H A 48 PHE HZ 1.0 . 5.41 2784 2667 A 26 TYR HD% A 26 TYR HA 1.0 . 4.24 2785 2668 A 37 ASP HBy A 36 PHE HD% 1.0 . 3.26 2786 2669 A 91 ILE HG2% A 82 TYR HE% 1.0 . 3.39 2787 2670 A 94 HIS HBy A 94 HIS HD2 1.0 . 3.20 2788 2671 A 36 PHE HE% A 97 LEU HDx% 1.0 . 4.01 2789 2672 A 28 GLY HAx A 36 PHE HE% 1.0 . 3.97 2790 2673 A 36 PHE HD% A 90 ILE HG2% 1.0 . 3.66 2791 2674 A 48 PHE HZ A 63 VAL HGx% 1.0 . 3.05 2792 2675 A 55 VAL HGx% A 59 TRP HZ3 1.0 . 3.72 2793 2676 A 36 PHE HD% A 30 LEU HDx% 1.0 . 3.69 2794 2677 A 48 PHE HD% A 55 VAL HGx% 1.0 . 3.49 2795 2678 A 48 PHE HD% A 55 VAL HGy% 1.0 . 3.65 2796 2679 A 48 PHE HD% A 46 PHE HD% 1.0 . 3.49 2797 2680 A 46 PHE HD% A 59 TRP HZ3 1.0 . 3.71 2798 2681 A 59 TRP HE3 A 48 PHE HE% 1.0 . 4.25 2799 2682 A 99 PHE HD% A 97 LEU HBy 1.0 . 4.01 2800 2683 A 76 ILE HG1x A 59 TRP HD1 1.0 . 3.17 2801 2684 A 76 ILE HD1% A 59 TRP HD1 1.0 . 3.31 2802 2685 A 48 PHE HE% A 50 LEU HDy% 1.0 . 3.60 2803 2686 A 24 VAL H A 46 PHE HD% 1.0 . 5.09 2804 2687 A 26 TYR HBx A 59 TRP HZ2 1.0 . 3.91 2805 2688 A 55 VAL HA A 59 TRP HE3 1.0 . 4.41 2806 2689 A 99 PHE HD% A 59 TRP HH2 1.0 . 5.03 2807 2690 A 46 PHE HBy A 59 TRP HH2 1.0 . 4.77 2808 2691 A 46 PHE HE% A 59 TRP HE3 1.0 . 4.46 2809 2692 A 87 HIS HD2 A 88 PRO HBx 1.0 . 4.90 2810 2693 A 15 PHE HD% A 66 MET HA 1.0 . 4.57 2811 2694 A 15 PHE HE% A 13 ARG HA 1.0 . 4.19 2812 2695 A 15 PHE HE% A 66 MET HA 1.0 . 4.08 2813 2696 A 66 MET HA A 15 PHE HZ 1.0 . 5.46 2814 2697 A 48 PHE HE% A 59 TRP HZ3 1.0 . 5.22 2815 2698 A 59 TRP HE3 A 48 PHE HZ 1.0 . 5.04 2816 2699 A 26 TYR HD% A 59 TRP HZ3 1.0 . 5.00 2817 2700 A 48 PHE HD% A 59 TRP HZ3 1.0 . 4.97 2818 2701 A 59 TRP HD1 A 58 GLY HAy 1.0 . 5.37 2819 2702 A 55 VAL HGx% A 59 TRP HE3 1.0 . 3.29 2820 2703 A 87 HIS HD2 A 90 ILE HD1% 1.0 . 3.74 2821 2704 A 0 MET HA A 0 MET HGx 1.0 . 3.56 2822 2704 A 0 MET HA A 0 MET HGy 1.0 . 3.56 2823 2705 A 0 MET HBx A 1 GLY HAy 1.0 . 4.17 2824 2705 A 0 MET HBy A 1 GLY HAy 1.0 . 4.17 2825 2705 A 1 GLY HAx A 0 MET HBx 1.0 . 4.17 2826 2705 A 0 MET HBy A 1 GLY HAx 1.0 . 4.17 2827 2706 A 2 VAL H A 0 MET HBx 1.0 . 3.87 2828 2706 A 2 VAL H A 0 MET HBy 1.0 . 3.87 2829 2707 A 0 MET HE% A 0 MET HGx 1.0 . 3.41 2830 2707 A 0 MET HE% A 0 MET HGy 1.0 . 3.41 2831 2708 A 2 VAL H A 1 GLY HAy 1.0 . 2.87 2832 2708 A 2 VAL H A 1 GLY HAx 1.0 . 2.87 2833 2709 A 2 VAL HGx% A 1 GLY HAy 1.0 . 4.44 2834 2709 A 2 VAL HGx% A 1 GLY HAx 1.0 . 4.44 2835 2710 A 2 VAL HGy% A 1 GLY HAy 1.0 . 5.81 2836 2710 A 2 VAL HGy% A 1 GLY HAx 1.0 . 5.81 2837 2711 A 3 GLN H A 1 GLY HAy 1.0 . 5.81 2838 2711 A 3 GLN H A 1 GLY HAx 1.0 . 5.81 2839 2712 A 3 GLN HE2x A 1 GLY HAy 1.0 . 5.71 2840 2712 A 3 GLN HE2x A 1 GLY HAx 1.0 . 5.71 2841 2713 A 77 SER H A 1 GLY HAy 1.0 . 4.98 2842 2713 A 77 SER H A 1 GLY HAx 1.0 . 4.98 2843 2714 A 1 GLY HAx A 77 SER HBx 1.0 . 4.42 2844 2714 A 1 GLY HAy A 77 SER HBx 1.0 . 4.42 2845 2714 A 77 SER HBy A 1 GLY HAy 1.0 . 4.42 2846 2714 A 1 GLY HAx A 77 SER HBy 1.0 . 4.42 2847 2715 A 80 TYR HD% A 1 GLY HAy 1.0 . 4.65 2848 2715 A 80 TYR HD% A 1 GLY HAx 1.0 . 4.65 2849 2716 A 80 TYR HE% A 1 GLY HAy 1.0 . 4.21 2850 2716 A 80 TYR HE% A 1 GLY HAx 1.0 . 4.21 2851 2717 A 2 VAL H A 3 GLN HGx 1.0 . 4.45 2852 2717 A 2 VAL H A 3 GLN HGy 1.0 . 4.45 2853 2718 A 2 VAL HA A 3 GLN HGx 1.0 . 4.81 2854 2718 A 2 VAL HA A 3 GLN HGy 1.0 . 4.81 2855 2719 A 2 VAL HGx% A 61 GLU HGy 1.0 . 4.37 2856 2719 A 2 VAL HGx% A 61 GLU HGx 1.0 . 4.37 2857 2720 A 3 GLN H A 3 GLN HGx 1.0 . 3.49 2858 2720 A 3 GLN H A 3 GLN HGy 1.0 . 3.49 2859 2721 A 3 GLN HA A 3 GLN HGx 1.0 . 3.19 2860 2721 A 3 GLN HA A 3 GLN HGy 1.0 . 3.19 2861 2722 A 3 GLN HA A 4 VAL HGy% 1.0 . 4.09 2862 2722 A 3 GLN HA A 4 VAL HGx% 1.0 . 4.09 2863 2723 A 3 GLN HBy A 3 GLN HGx 1.0 . 2.58 2864 2723 A 3 GLN HBy A 3 GLN HGy 1.0 . 2.58 2865 2724 A 4 VAL H A 3 GLN HGx 1.0 . 4.23 2866 2724 A 4 VAL H A 3 GLN HGy 1.0 . 4.23 2867 2725 A 75 THR H A 3 GLN HGx 1.0 . 5.57 2868 2725 A 75 THR H A 3 GLN HGy 1.0 . 5.57 2869 2726 A 75 THR HB A 3 GLN HGx 1.0 . 4.81 2870 2726 A 75 THR HB A 3 GLN HGy 1.0 . 4.81 2871 2727 A 4 VAL H A 4 VAL HGy% 1.0 . 2.84 2872 2727 A 4 VAL H A 4 VAL HGx% 1.0 . 2.84 2873 2728 A 4 VAL H A 74 LEU HDy% 1.0 . 5.78 2874 2728 A 4 VAL H A 74 LEU HDx% 1.0 . 5.78 2875 2729 A 4 VAL HA A 4 VAL HGy% 1.0 . 2.82 2876 2729 A 4 VAL HA A 4 VAL HGx% 1.0 . 2.82 2877 2730 A 4 VAL HA A 5 GLU HGx 1.0 . 4.62 2878 2730 A 4 VAL HA A 5 GLU HGy 1.0 . 4.62 2879 2731 A 4 VAL HA A 74 LEU HDy% 1.0 . 4.21 2880 2731 A 4 VAL HA A 74 LEU HDx% 1.0 . 4.21 2881 2732 A 5 GLU H A 4 VAL HGy% 1.0 . 2.96 2882 2732 A 5 GLU H A 4 VAL HGx% 1.0 . 2.96 2883 2733 A 5 GLU HA A 4 VAL HGy% 1.0 . 3.87 2884 2733 A 5 GLU HA A 4 VAL HGx% 1.0 . 3.87 2885 2734 A 4 VAL HGx% A 5 GLU HGx 1.0 . 4.60 2886 2734 A 4 VAL HGy% A 5 GLU HGx 1.0 . 4.60 2887 2734 A 5 GLU HGy A 4 VAL HGy% 1.0 . 4.60 2888 2734 A 4 VAL HGx% A 5 GLU HGy 1.0 . 4.60 2889 2735 A 6 THR HB A 4 VAL HGy% 1.0 . 5.69 2890 2735 A 6 THR HB A 4 VAL HGx% 1.0 . 5.69 2891 2736 A 62 GLY HAy A 4 VAL HGy% 1.0 . 3.32 2892 2736 A 62 GLY HAy A 4 VAL HGx% 1.0 . 3.32 2893 2737 A 62 GLY HAx A 4 VAL HGy% 1.0 . 3.88 2894 2737 A 62 GLY HAx A 4 VAL HGx% 1.0 . 3.88 2895 2738 A 65 GLN H A 4 VAL HGy% 1.0 . 4.12 2896 2738 A 65 GLN H A 4 VAL HGx% 1.0 . 4.12 2897 2739 A 65 GLN HBy A 4 VAL HGy% 1.0 . 3.07 2898 2739 A 65 GLN HBy A 4 VAL HGx% 1.0 . 3.07 2899 2740 A 65 GLN HGx A 4 VAL HGy% 1.0 . 4.12 2900 2740 A 65 GLN HGx A 4 VAL HGx% 1.0 . 4.12 2901 2741 A 65 GLN HGy A 4 VAL HGy% 1.0 . 4.03 2902 2741 A 65 GLN HGy A 4 VAL HGx% 1.0 . 4.03 2903 2742 A 65 GLN HE2y A 4 VAL HGy% 1.0 . 3.89 2904 2742 A 65 GLN HE2y A 4 VAL HGx% 1.0 . 3.89 2905 2743 A 65 GLN HE2x A 4 VAL HGy% 1.0 . 3.68 2906 2743 A 65 GLN HE2x A 4 VAL HGx% 1.0 . 3.68 2907 2744 A 66 MET H A 4 VAL HGy% 1.0 . 5.41 2908 2744 A 66 MET H A 4 VAL HGx% 1.0 . 5.41 2909 2745 A 66 MET HGx A 4 VAL HGy% 1.0 . 3.10 2910 2745 A 66 MET HGx A 4 VAL HGx% 1.0 . 3.10 2911 2746 A 66 MET HGy A 4 VAL HGy% 1.0 . 4.24 2912 2746 A 66 MET HGy A 4 VAL HGx% 1.0 . 4.24 2913 2747 A 70 GLN HE2y A 4 VAL HGy% 1.0 . 4.18 2914 2747 A 70 GLN HE2y A 4 VAL HGx% 1.0 . 4.18 2915 2748 A 70 GLN HE2x A 4 VAL HGy% 1.0 . 4.10 2916 2748 A 70 GLN HE2x A 4 VAL HGx% 1.0 . 4.10 2917 2749 A 72 ALA H A 4 VAL HGy% 1.0 . 5.23 2918 2749 A 72 ALA H A 4 VAL HGx% 1.0 . 5.23 2919 2750 A 72 ALA HB% A 4 VAL HGy% 1.0 . 2.85 2920 2750 A 72 ALA HB% A 4 VAL HGx% 1.0 . 2.85 2921 2751 A 74 LEU HA A 4 VAL HGy% 1.0 . 3.77 2922 2751 A 74 LEU HA A 4 VAL HGx% 1.0 . 3.77 2923 2752 A 74 LEU HBx A 4 VAL HGy% 1.0 . 3.59 2924 2752 A 74 LEU HBx A 4 VAL HGx% 1.0 . 3.59 2925 2753 A 74 LEU HG A 4 VAL HGy% 1.0 . 3.20 2926 2753 A 74 LEU HG A 4 VAL HGx% 1.0 . 3.20 2927 2754 A 5 GLU H A 5 GLU HBx 1.0 . 3.06 2928 2754 A 5 GLU H A 5 GLU HBy 1.0 . 3.06 2929 2755 A 5 GLU H A 5 GLU HGx 1.0 . 3.45 2930 2755 A 5 GLU H A 5 GLU HGy 1.0 . 3.45 2931 2756 A 5 GLU HA A 5 GLU HGx 1.0 . 3.60 2932 2756 A 5 GLU HA A 5 GLU HGy 1.0 . 3.60 2933 2757 A 72 ALA HA A 5 GLU HBx 1.0 . 5.81 2934 2757 A 72 ALA HA A 5 GLU HBy 1.0 . 5.81 2935 2758 A 6 THR H A 5 GLU HGx 1.0 . 5.15 2936 2758 A 6 THR H A 5 GLU HGy 1.0 . 5.15 2937 2759 A 72 ALA HA A 5 GLU HGx 1.0 . 5.81 2938 2759 A 72 ALA HA A 5 GLU HGy 1.0 . 5.81 2939 2760 A 72 ALA HB% A 5 GLU HGx 1.0 . 5.19 2940 2760 A 72 ALA HB% A 5 GLU HGy 1.0 . 5.19 2941 2761 A 74 LEU HA A 5 GLU HGx 1.0 . 5.81 2942 2761 A 74 LEU HA A 5 GLU HGy 1.0 . 5.81 2943 2762 A 11 ASP H A 11 ASP HBx 1.0 . 2.94 2944 2762 A 11 ASP H A 11 ASP HBy 1.0 . 2.94 2945 2763 A 13 ARG H A 11 ASP HBx 1.0 . 4.28 2946 2763 A 13 ARG H A 11 ASP HBy 1.0 . 4.28 2947 2764 A 13 ARG HGx A 11 ASP HBx 1.0 . 5.28 2948 2764 A 13 ARG HGx A 11 ASP HBy 1.0 . 5.28 2949 2765 A 14 THR H A 11 ASP HBx 1.0 . 4.68 2950 2765 A 14 THR H A 11 ASP HBy 1.0 . 4.68 2951 2766 A 67 SER HBy A 11 ASP HBx 1.0 . 5.74 2952 2766 A 67 SER HBy A 11 ASP HBy 1.0 . 5.74 2953 2767 A 68 VAL HGx% A 11 ASP HBx 1.0 . 5.71 2954 2767 A 68 VAL HGx% A 11 ASP HBy 1.0 . 5.71 2955 2768 A 68 VAL HGy% A 11 ASP HBx 1.0 . 5.46 2956 2768 A 68 VAL HGy% A 11 ASP HBy 1.0 . 5.46 2957 2769 A 13 ARG H A 13 ARG HBy 1.0 . 3.38 2958 2769 A 13 ARG H A 13 ARG HBx 1.0 . 3.38 2959 2770 A 13 ARG HA A 13 ARG HBy 1.0 . 2.57 2960 2770 A 13 ARG HA A 13 ARG HBx 1.0 . 2.57 2961 2771 A 13 ARG HBy A 13 ARG HD2 1.0 . 2.88 2962 2771 A 13 ARG HBx A 13 ARG HD2 1.0 . 2.88 2963 2771 A 13 ARG HD3 A 13 ARG HBy 1.0 . 2.88 2964 2771 A 13 ARG HD3 A 13 ARG HBx 1.0 . 2.88 2965 2772 A 14 THR H A 13 ARG HBy 1.0 . 4.11 2966 2772 A 14 THR H A 13 ARG HBx 1.0 . 4.11 2967 2773 A 15 PHE HE% A 13 ARG HBy 1.0 . 4.52 2968 2773 A 15 PHE HE% A 13 ARG HBx 1.0 . 4.52 2969 2774 A 14 THR H A 103 LEU HDy% 1.0 . 5.92 2970 2774 A 14 THR H A 103 LEU HDx% 1.0 . 5.92 2971 2775 A 14 THR H A 106 LEU HDy% 1.0 . 5.92 2972 2775 A 14 THR H A 106 LEU HDx% 1.0 . 5.92 2973 2776 A 14 THR HA A 106 LEU HDy% 1.0 . 4.93 2974 2776 A 14 THR HA A 106 LEU HDx% 1.0 . 4.93 2975 2777 A 14 THR HB A 106 LEU HDy% 1.0 . 4.87 2976 2777 A 14 THR HB A 106 LEU HDx% 1.0 . 4.87 2977 2778 A 14 THR HG2% A 106 LEU HDy% 1.0 . 2.94 2978 2778 A 14 THR HG2% A 106 LEU HDx% 1.0 . 2.94 2979 2779 A 15 PHE H A 106 LEU HDy% 1.0 . 5.03 2980 2779 A 15 PHE H A 106 LEU HDx% 1.0 . 5.03 2981 2780 A 15 PHE HA A 103 LEU HDy% 1.0 . 4.45 2982 2780 A 15 PHE HA A 103 LEU HDx% 1.0 . 4.45 2983 2781 A 15 PHE HBy A 106 LEU HDy% 1.0 . 5.92 2984 2781 A 15 PHE HBy A 106 LEU HDx% 1.0 . 5.92 2985 2782 A 15 PHE HBx A 63 VAL HGy% 1.0 . 5.92 2986 2782 A 15 PHE HBx A 63 VAL HGx% 1.0 . 5.92 2987 2783 A 15 PHE HBx A 103 LEU HDy% 1.0 . 5.92 2988 2783 A 15 PHE HBx A 103 LEU HDx% 1.0 . 5.92 2989 2784 A 15 PHE HBx A 106 LEU HDy% 1.0 . 5.92 2990 2784 A 15 PHE HBx A 106 LEU HDx% 1.0 . 5.92 2991 2785 A 16 PRO HA A 106 LEU HDy% 1.0 . 2.90 2992 2785 A 16 PRO HA A 106 LEU HDx% 1.0 . 2.90 2993 2786 A 16 PRO HBy A 63 VAL HGy% 1.0 . 3.69 2994 2786 A 16 PRO HBx A 63 VAL HGy% 1.0 . 3.69 2995 2786 A 63 VAL HGx% A 16 PRO HBx 1.0 . 3.69 2996 2786 A 63 VAL HGx% A 16 PRO HBy 1.0 . 3.69 2997 2787 A 16 PRO HBx A 103 LEU HDy% 1.0 . 3.82 2998 2787 A 16 PRO HBy A 103 LEU HDy% 1.0 . 3.82 2999 2787 A 103 LEU HDx% A 16 PRO HBx 1.0 . 3.82 3000 2787 A 103 LEU HDx% A 16 PRO HBy 1.0 . 3.82 3001 2788 A 106 LEU HG A 16 PRO HBx 1.0 . 4.73 3002 2788 A 106 LEU HG A 16 PRO HBy 1.0 . 4.73 3003 2789 A 16 PRO HBx A 106 LEU HDy% 1.0 . 3.28 3004 2789 A 106 LEU HDx% A 16 PRO HBx 1.0 . 3.28 3005 2789 A 106 LEU HDx% A 16 PRO HBy 1.0 . 3.28 3006 2789 A 16 PRO HBy A 106 LEU HDy% 1.0 . 3.28 3007 2790 A 16 PRO HGy A 63 VAL HGy% 1.0 . 3.50 3008 2790 A 16 PRO HGy A 63 VAL HGx% 1.0 . 3.50 3009 2791 A 16 PRO HGx A 63 VAL HGy% 1.0 . 3.25 3010 2791 A 16 PRO HGx A 63 VAL HGx% 1.0 . 3.25 3011 2792 A 16 PRO HGx A 103 LEU HDy% 1.0 . 2.82 3012 2792 A 16 PRO HGx A 103 LEU HDx% 1.0 . 2.82 3013 2793 A 16 PRO HGx A 106 LEU HDy% 1.0 . 3.87 3014 2793 A 16 PRO HGx A 106 LEU HDx% 1.0 . 3.87 3015 2794 A 16 PRO HDx A 63 VAL HGy% 1.0 . 4.66 3016 2794 A 16 PRO HDx A 63 VAL HGx% 1.0 . 4.66 3017 2795 A 16 PRO HDx A 103 LEU HDy% 1.0 . 4.01 3018 2795 A 16 PRO HDx A 103 LEU HDx% 1.0 . 4.01 3019 2796 A 16 PRO HDx A 106 LEU HDy% 1.0 . 4.75 3020 2796 A 16 PRO HDx A 106 LEU HDx% 1.0 . 4.75 3021 2797 A 16 PRO HDy A 63 VAL HGy% 1.0 . 4.50 3022 2797 A 16 PRO HDy A 63 VAL HGx% 1.0 . 4.50 3023 2798 A 16 PRO HDy A 106 LEU HDy% 1.0 . 4.79 3024 2798 A 16 PRO HDy A 106 LEU HDx% 1.0 . 4.79 3025 2799 A 18 ARG H A 18 ARG HGx 1.0 . 4.24 3026 2799 A 18 ARG H A 18 ARG HGy 1.0 . 4.24 3027 2800 A 18 ARG HA A 18 ARG HGx 1.0 . 3.23 3028 2800 A 18 ARG HA A 18 ARG HGy 1.0 . 3.23 3029 2801 A 18 ARG HA A 50 LEU HDy% 1.0 . 3.65 3030 2801 A 18 ARG HA A 50 LEU HDx% 1.0 . 3.65 3031 2802 A 18 ARG HBx A 18 ARG HGx 1.0 . 2.55 3032 2802 A 18 ARG HBx A 18 ARG HGy 1.0 . 2.55 3033 2803 A 19 GLY HAy A 18 ARG HGx 1.0 . 5.02 3034 2803 A 19 GLY HAy A 18 ARG HGy 1.0 . 5.02 3035 2804 A 19 GLY HAx A 18 ARG HGx 1.0 . 4.69 3036 2804 A 19 GLY HAx A 18 ARG HGy 1.0 . 4.69 3037 2805 A 18 ARG HGy A 51 GLY HAx 1.0 . 3.34 3038 2805 A 18 ARG HGx A 51 GLY HAx 1.0 . 3.34 3039 2805 A 51 GLY HAy A 18 ARG HGx 1.0 . 3.34 3040 2805 A 18 ARG HGy A 51 GLY HAy 1.0 . 3.34 3041 2806 A 19 GLY H A 50 LEU HDy% 1.0 . 4.36 3042 2806 A 19 GLY H A 50 LEU HDx% 1.0 . 4.36 3043 2807 A 19 GLY H A 51 GLY HAx 1.0 . 5.81 3044 2807 A 19 GLY H A 51 GLY HAy 1.0 . 5.81 3045 2808 A 20 GLN H A 50 LEU HDy% 1.0 . 4.78 3046 2808 A 20 GLN H A 50 LEU HDx% 1.0 . 4.78 3047 2809 A 20 GLN HG3 A 106 LEU HDy% 1.0 . 4.88 3048 2809 A 106 LEU HDx% A 20 GLN HG2 1.0 . 4.88 3049 2809 A 20 GLN HG3 A 106 LEU HDx% 1.0 . 4.88 3050 2809 A 20 GLN HG2 A 106 LEU HDy% 1.0 . 4.88 3051 2810 A 20 GLN HE2y A 106 LEU HDy% 1.0 . 4.01 3052 2810 A 20 GLN HE2y A 106 LEU HDx% 1.0 . 4.01 3053 2811 A 20 GLN HE2x A 106 LEU HDy% 1.0 . 3.63 3054 2811 A 20 GLN HE2x A 106 LEU HDx% 1.0 . 3.63 3055 2812 A 21 THR HA A 22 CYS HBx 1.0 . 4.95 3056 2812 A 21 THR HA A 22 CYS HBy 1.0 . 4.95 3057 2813 A 21 THR HA A 49 MET HBy 1.0 . 4.26 3058 2813 A 21 THR HA A 49 MET HBx 1.0 . 4.26 3059 2814 A 22 CYS H A 22 CYS HBx 1.0 . 3.09 3060 2814 A 22 CYS H A 22 CYS HBy 1.0 . 3.09 3061 2815 A 22 CYS HA A 106 LEU HDy% 1.0 . 2.93 3062 2815 A 22 CYS HA A 106 LEU HDx% 1.0 . 2.93 3063 2816 A 23 VAL H A 22 CYS HBx 1.0 . 4.11 3064 2816 A 23 VAL H A 22 CYS HBy 1.0 . 4.11 3065 2817 A 23 VAL HA A 22 CYS HBx 1.0 . 5.21 3066 2817 A 23 VAL HA A 22 CYS HBy 1.0 . 5.21 3067 2818 A 24 VAL H A 22 CYS HBx 1.0 . 5.43 3068 2818 A 24 VAL H A 22 CYS HBy 1.0 . 5.43 3069 2819 A 48 PHE H A 22 CYS HBx 1.0 . 3.72 3070 2819 A 48 PHE H A 22 CYS HBy 1.0 . 3.72 3071 2820 A 48 PHE HD% A 22 CYS HBx 1.0 . 3.96 3072 2820 A 48 PHE HD% A 22 CYS HBy 1.0 . 3.96 3073 2821 A 48 PHE HE% A 22 CYS HBx 1.0 . 3.59 3074 2821 A 48 PHE HE% A 22 CYS HBy 1.0 . 3.59 3075 2822 A 48 PHE HZ A 22 CYS HBx 1.0 . 4.24 3076 2822 A 48 PHE HZ A 22 CYS HBy 1.0 . 4.24 3077 2823 A 22 CYS HBy A 63 VAL HGy% 1.0 . 3.82 3078 2823 A 22 CYS HBx A 63 VAL HGy% 1.0 . 3.82 3079 2823 A 63 VAL HGx% A 22 CYS HBx 1.0 . 3.82 3080 2823 A 63 VAL HGx% A 22 CYS HBy 1.0 . 3.82 3081 2824 A 106 LEU HA A 22 CYS HBx 1.0 . 5.24 3082 2824 A 106 LEU HA A 22 CYS HBy 1.0 . 5.24 3083 2825 A 22 CYS HBy A 106 LEU HDy% 1.0 . 3.93 3084 2825 A 22 CYS HBx A 106 LEU HDy% 1.0 . 3.93 3085 2825 A 106 LEU HDx% A 22 CYS HBx 1.0 . 3.93 3086 2825 A 106 LEU HDx% A 22 CYS HBy 1.0 . 3.93 3087 2826 A 23 VAL H A 106 LEU HDy% 1.0 . 3.84 3088 2826 A 23 VAL H A 106 LEU HDx% 1.0 . 3.84 3089 2827 A 24 VAL H A 24 VAL HGy% 1.0 . 2.92 3090 2827 A 24 VAL H A 24 VAL HGx% 1.0 . 2.92 3091 2828 A 24 VAL HA A 24 VAL HGy% 1.0 . 3.06 3092 2828 A 24 VAL HA A 24 VAL HGx% 1.0 . 3.06 3093 2829 A 25 HIS H A 24 VAL HGy% 1.0 . 3.45 3094 2829 A 25 HIS H A 24 VAL HGx% 1.0 . 3.45 3095 2830 A 25 HIS HA A 24 VAL HGy% 1.0 . 4.75 3096 2830 A 25 HIS HA A 24 VAL HGx% 1.0 . 4.75 3097 2831 A 26 TYR H A 24 VAL HGy% 1.0 . 4.38 3098 2831 A 26 TYR H A 24 VAL HGx% 1.0 . 4.38 3099 2832 A 26 TYR HA A 24 VAL HGy% 1.0 . 5.11 3100 2832 A 26 TYR HA A 24 VAL HGx% 1.0 . 5.11 3101 2833 A 26 TYR HBy A 24 VAL HGy% 1.0 . 3.84 3102 2833 A 26 TYR HBy A 24 VAL HGx% 1.0 . 3.84 3103 2834 A 26 TYR HD% A 24 VAL HGy% 1.0 . 3.86 3104 2834 A 26 TYR HD% A 24 VAL HGx% 1.0 . 3.86 3105 2835 A 46 PHE H A 24 VAL HGy% 1.0 . 4.11 3106 2835 A 46 PHE H A 24 VAL HGx% 1.0 . 4.11 3107 2836 A 46 PHE HBy A 24 VAL HGy% 1.0 . 4.90 3108 2836 A 46 PHE HBy A 24 VAL HGx% 1.0 . 4.90 3109 2837 A 46 PHE HBx A 24 VAL HGy% 1.0 . 3.49 3110 2837 A 46 PHE HBx A 24 VAL HGx% 1.0 . 3.49 3111 2838 A 46 PHE HD% A 24 VAL HGy% 1.0 . 3.96 3112 2838 A 46 PHE HD% A 24 VAL HGx% 1.0 . 3.96 3113 2839 A 48 PHE HD% A 24 VAL HGy% 1.0 . 3.72 3114 2839 A 48 PHE HD% A 24 VAL HGx% 1.0 . 3.72 3115 2840 A 48 PHE HE% A 24 VAL HGy% 1.0 . 2.90 3116 2840 A 48 PHE HE% A 24 VAL HGx% 1.0 . 2.90 3117 2841 A 48 PHE HZ A 24 VAL HGy% 1.0 . 4.51 3118 2841 A 48 PHE HZ A 24 VAL HGx% 1.0 . 4.51 3119 2842 A 63 VAL HA A 24 VAL HGy% 1.0 . 5.88 3120 2842 A 63 VAL HA A 24 VAL HGx% 1.0 . 5.88 3121 2843 A 101 VAL HA A 24 VAL HGy% 1.0 . 4.74 3122 2843 A 101 VAL HA A 24 VAL HGx% 1.0 . 4.74 3123 2844 A 101 VAL HGx% A 24 VAL HGy% 1.0 . 3.55 3124 2844 A 101 VAL HGx% A 24 VAL HGx% 1.0 . 3.55 3125 2845 A 101 VAL HGy% A 24 VAL HGy% 1.0 . 3.15 3126 2845 A 101 VAL HGy% A 24 VAL HGx% 1.0 . 3.15 3127 2846 A 102 GLU H A 24 VAL HGy% 1.0 . 4.08 3128 2846 A 102 GLU H A 24 VAL HGx% 1.0 . 4.08 3129 2847 A 103 LEU HA A 24 VAL HGy% 1.0 . 3.02 3130 2847 A 103 LEU HA A 24 VAL HGx% 1.0 . 3.02 3131 2848 A 104 LEU H A 24 VAL HGy% 1.0 . 3.38 3132 2848 A 104 LEU H A 24 VAL HGx% 1.0 . 3.38 3133 2849 A 25 HIS HA A 39 SER HBy 1.0 . 4.47 3134 2849 A 25 HIS HA A 39 SER HBx 1.0 . 4.47 3135 2850 A 25 HIS HBy A 39 SER HBy 1.0 . 5.81 3136 2850 A 25 HIS HBy A 39 SER HBx 1.0 . 5.81 3137 2851 A 25 HIS HBx A 39 SER HBy 1.0 . 5.81 3138 2851 A 25 HIS HBx A 39 SER HBx 1.0 . 5.81 3139 2852 A 26 TYR H A 39 SER HBy 1.0 . 4.02 3140 2852 A 26 TYR H A 39 SER HBx 1.0 . 4.02 3141 2853 A 26 TYR HD% A 39 SER HBy 1.0 . 3.90 3142 2853 A 26 TYR HD% A 39 SER HBx 1.0 . 3.90 3143 2854 A 26 TYR HE% A 39 SER HBy 1.0 . 3.50 3144 2854 A 26 TYR HE% A 39 SER HBx 1.0 . 3.50 3145 2855 A 27 THR HA A 38 SER HBy 1.0 . 3.95 3146 2855 A 27 THR HA A 38 SER HBx 1.0 . 3.95 3147 2856 A 27 THR HG2% A 38 SER HBy 1.0 . 3.45 3148 2856 A 27 THR HG2% A 38 SER HBx 1.0 . 3.45 3149 2857 A 28 GLY H A 38 SER HBy 1.0 . 4.52 3150 2857 A 28 GLY H A 38 SER HBx 1.0 . 4.52 3151 2858 A 28 GLY HAy A 97 LEU HDy% 1.0 . 5.92 3152 2858 A 28 GLY HAy A 97 LEU HDx% 1.0 . 5.92 3153 2859 A 29 MET H A 97 LEU HDy% 1.0 . 5.07 3154 2859 A 29 MET H A 97 LEU HDx% 1.0 . 5.07 3155 2860 A 29 MET H A 98 VAL HGy% 1.0 . 5.30 3156 2860 A 29 MET H A 98 VAL HGx% 1.0 . 5.30 3157 2861 A 29 MET HBx A 98 VAL HGy% 1.0 . 4.94 3158 2861 A 29 MET HBx A 98 VAL HGx% 1.0 . 4.94 3159 2862 A 29 MET HE% A 98 VAL HGy% 1.0 . 2.80 3160 2862 A 29 MET HE% A 98 VAL HGx% 1.0 . 2.80 3161 2863 A 30 LEU H A 30 LEU HDy% 1.0 . 3.59 3162 2863 A 30 LEU H A 30 LEU HDx% 1.0 . 3.59 3163 2864 A 30 LEU H A 97 LEU HDy% 1.0 . 4.83 3164 2864 A 30 LEU H A 97 LEU HDx% 1.0 . 4.83 3165 2865 A 30 LEU HA A 30 LEU HDy% 1.0 . 2.89 3166 2865 A 30 LEU HA A 30 LEU HDx% 1.0 . 2.89 3167 2866 A 30 LEU HA A 97 LEU HDy% 1.0 . 3.42 3168 2866 A 30 LEU HA A 97 LEU HDx% 1.0 . 3.42 3169 2867 A 30 LEU HBy A 30 LEU HDy% 1.0 . 2.83 3170 2867 A 30 LEU HBy A 30 LEU HDx% 1.0 . 2.83 3171 2868 A 30 LEU HBy A 32 ASP HBx 1.0 . 5.09 3172 2868 A 30 LEU HBy A 32 ASP HBy 1.0 . 5.09 3173 2869 A 30 LEU HBx A 30 LEU HDy% 1.0 . 2.60 3174 2869 A 30 LEU HBx A 30 LEU HDx% 1.0 . 2.60 3175 2870 A 30 LEU HBx A 32 ASP HBx 1.0 . 5.13 3176 2870 A 30 LEU HBx A 32 ASP HBy 1.0 . 5.13 3177 2871 A 31 GLU H A 30 LEU HDy% 1.0 . 3.42 3178 2871 A 31 GLU H A 30 LEU HDx% 1.0 . 3.42 3179 2872 A 30 LEU HDx% A 31 GLU HBy 1.0 . 4.39 3180 2872 A 30 LEU HDy% A 31 GLU HBy 1.0 . 4.39 3181 2872 A 31 GLU HBx A 30 LEU HDy% 1.0 . 4.39 3182 2872 A 30 LEU HDx% A 31 GLU HBx 1.0 . 4.39 3183 2873 A 32 ASP H A 30 LEU HDy% 1.0 . 3.98 3184 2873 A 32 ASP H A 30 LEU HDx% 1.0 . 3.98 3185 2874 A 33 GLY H A 30 LEU HDy% 1.0 . 4.35 3186 2874 A 33 GLY H A 30 LEU HDx% 1.0 . 4.35 3187 2875 A 36 PHE HA A 30 LEU HDy% 1.0 . 5.67 3188 2875 A 36 PHE HA A 30 LEU HDx% 1.0 . 5.67 3189 2876 A 36 PHE HBy A 30 LEU HDy% 1.0 . 5.16 3190 2876 A 36 PHE HBy A 30 LEU HDx% 1.0 . 5.16 3191 2877 A 36 PHE HBx A 30 LEU HDy% 1.0 . 3.72 3192 2877 A 36 PHE HBx A 30 LEU HDx% 1.0 . 3.72 3193 2878 A 36 PHE HD% A 30 LEU HDy% 1.0 . 3.17 3194 2878 A 36 PHE HD% A 30 LEU HDx% 1.0 . 3.17 3195 2879 A 36 PHE HE% A 30 LEU HDy% 1.0 . 3.55 3196 2879 A 36 PHE HE% A 30 LEU HDx% 1.0 . 3.55 3197 2880 A 91 ILE HA A 30 LEU HDy% 1.0 . 3.98 3198 2880 A 91 ILE HA A 30 LEU HDx% 1.0 . 3.98 3199 2881 A 92 PRO HDy A 30 LEU HDy% 1.0 . 3.39 3200 2881 A 92 PRO HDy A 30 LEU HDx% 1.0 . 3.39 3201 2882 A 92 PRO HDx A 30 LEU HDy% 1.0 . 3.50 3202 2882 A 92 PRO HDx A 30 LEU HDx% 1.0 . 3.50 3203 2883 A 95 ALA HB% A 30 LEU HDy% 1.0 . 3.10 3204 2883 A 95 ALA HB% A 30 LEU HDx% 1.0 . 3.10 3205 2884 A 96 THR H A 30 LEU HDy% 1.0 . 5.74 3206 2884 A 96 THR H A 30 LEU HDx% 1.0 . 5.74 3207 2885 A 31 GLU H A 31 GLU HBy 1.0 . 2.90 3208 2885 A 31 GLU H A 31 GLU HBx 1.0 . 2.90 3209 2886 A 31 GLU H A 32 ASP HBx 1.0 . 5.81 3210 2886 A 31 GLU H A 32 ASP HBy 1.0 . 5.81 3211 2887 A 31 GLU HA A 98 VAL HGy% 1.0 . 3.28 3212 2887 A 31 GLU HA A 98 VAL HGx% 1.0 . 3.28 3213 2888 A 32 ASP H A 31 GLU HBy 1.0 . 3.33 3214 2888 A 32 ASP H A 31 GLU HBx 1.0 . 3.33 3215 2889 A 96 THR H A 31 GLU HBy 1.0 . 4.97 3216 2889 A 96 THR H A 31 GLU HBx 1.0 . 4.97 3217 2890 A 96 THR HB A 31 GLU HBy 1.0 . 4.28 3218 2890 A 96 THR HB A 31 GLU HBx 1.0 . 4.28 3219 2891 A 96 THR HG2% A 31 GLU HBy 1.0 . 4.55 3220 2891 A 96 THR HG2% A 31 GLU HBx 1.0 . 4.55 3221 2892 A 32 ASP H A 32 ASP HBx 1.0 . 2.98 3222 2892 A 32 ASP H A 32 ASP HBy 1.0 . 2.98 3223 2893 A 33 GLY H A 32 ASP HBx 1.0 . 3.96 3224 2893 A 33 GLY H A 32 ASP HBy 1.0 . 3.96 3225 2894 A 33 GLY H A 98 VAL HGy% 1.0 . 5.92 3226 2894 A 33 GLY H A 98 VAL HGx% 1.0 . 5.92 3227 2895 A 36 PHE HD% A 97 LEU HDy% 1.0 . 3.71 3228 2895 A 36 PHE HD% A 97 LEU HDx% 1.0 . 3.71 3229 2896 A 36 PHE HE% A 97 LEU HDy% 1.0 . 2.91 3230 2896 A 36 PHE HE% A 97 LEU HDx% 1.0 . 2.91 3231 2897 A 37 ASP H A 38 SER HBy 1.0 . 5.00 3232 2897 A 37 ASP H A 38 SER HBx 1.0 . 5.00 3233 2898 A 38 SER H A 38 SER HBy 1.0 . 3.54 3234 2898 A 38 SER H A 38 SER HBx 1.0 . 3.54 3235 2899 A 38 SER HA A 39 SER HBy 1.0 . 5.06 3236 2899 A 38 SER HA A 39 SER HBx 1.0 . 5.06 3237 2900 A 39 SER H A 38 SER HBy 1.0 . 3.57 3238 2900 A 39 SER H A 38 SER HBx 1.0 . 3.57 3239 2901 A 40 ARG H A 38 SER HBy 1.0 . 4.33 3240 2901 A 40 ARG H A 38 SER HBx 1.0 . 4.33 3241 2902 A 40 ARG HGy A 38 SER HBy 1.0 . 5.08 3242 2902 A 40 ARG HGy A 38 SER HBx 1.0 . 5.08 3243 2903 A 40 ARG HGx A 38 SER HBy 1.0 . 4.72 3244 2903 A 40 ARG HGx A 38 SER HBx 1.0 . 4.72 3245 2904 A 38 SER HBx A 40 ARG HDy 1.0 . 4.72 3246 2904 A 38 SER HBy A 40 ARG HDy 1.0 . 4.72 3247 2904 A 40 ARG HDx A 38 SER HBy 1.0 . 4.72 3248 2904 A 38 SER HBx A 40 ARG HDx 1.0 . 4.72 3249 2905 A 41 ASP H A 38 SER HBy 1.0 . 4.03 3250 2905 A 41 ASP H A 38 SER HBx 1.0 . 4.03 3251 2906 A 38 SER HBx A 41 ASP HBx 1.0 . 4.05 3252 2906 A 38 SER HBy A 41 ASP HBx 1.0 . 4.05 3253 2906 A 41 ASP HBy A 38 SER HBy 1.0 . 4.05 3254 2906 A 38 SER HBx A 41 ASP HBy 1.0 . 4.05 3255 2907 A 39 SER H A 39 SER HBy 1.0 . 3.21 3256 2907 A 39 SER H A 39 SER HBx 1.0 . 3.21 3257 2908 A 40 ARG H A 39 SER HBy 1.0 . 4.02 3258 2908 A 40 ARG H A 39 SER HBx 1.0 . 4.02 3259 2909 A 40 ARG H A 41 ASP HBx 1.0 . 4.64 3260 2909 A 40 ARG H A 41 ASP HBy 1.0 . 4.64 3261 2910 A 40 ARG HA A 40 ARG HDy 1.0 . 4.34 3262 2910 A 40 ARG HA A 40 ARG HDx 1.0 . 4.34 3263 2911 A 40 ARG HA A 41 ASP HBx 1.0 . 5.81 3264 2911 A 40 ARG HA A 41 ASP HBy 1.0 . 5.81 3265 2912 A 40 ARG HBy A 41 ASP HBx 1.0 . 5.81 3266 2912 A 40 ARG HBy A 41 ASP HBy 1.0 . 5.81 3267 2913 A 40 ARG HBx A 40 ARG HDy 1.0 . 3.64 3268 2913 A 40 ARG HBx A 40 ARG HDx 1.0 . 3.64 3269 2914 A 41 ASP H A 40 ARG HDy 1.0 . 4.52 3270 2914 A 41 ASP H A 40 ARG HDx 1.0 . 4.52 3271 2915 A 41 ASP H A 41 ASP HBx 1.0 . 3.43 3272 2915 A 41 ASP H A 41 ASP HBy 1.0 . 3.43 3273 2916 A 42 ARG H A 41 ASP HBx 1.0 . 4.14 3274 2916 A 42 ARG H A 41 ASP HBy 1.0 . 4.14 3275 2917 A 42 ARG H A 43 ASN HBx 1.0 . 5.81 3276 2917 A 42 ARG H A 43 ASN HBy 1.0 . 5.81 3277 2918 A 42 ARG HGx A 42 ARG HDx 1.0 . 2.56 3278 2918 A 42 ARG HGx A 42 ARG HDy 1.0 . 2.56 3279 2919 A 43 ASN H A 43 ASN HBx 1.0 . 3.53 3280 2919 A 43 ASN H A 43 ASN HBy 1.0 . 3.53 3281 2920 A 43 ASN HD2y A 43 ASN HBy 1.0 . 3.17 3282 2920 A 43 ASN HD2y A 43 ASN HBx 1.0 . 3.17 3283 2920 A 43 ASN HD2x A 43 ASN HBy 1.0 . 3.17 3284 2920 A 43 ASN HD2x A 43 ASN HBx 1.0 . 3.17 3285 2921 A 48 PHE HBy A 54 GLU HBx 1.0 . 4.04 3286 2921 A 48 PHE HBy A 54 GLU HBy 1.0 . 4.04 3287 2922 A 48 PHE HBx A 54 GLU HBx 1.0 . 4.21 3288 2922 A 48 PHE HBx A 54 GLU HBy 1.0 . 4.21 3289 2923 A 48 PHE HD% A 50 LEU HDy% 1.0 . 3.56 3290 2923 A 48 PHE HD% A 50 LEU HDx% 1.0 . 3.56 3291 2924 A 48 PHE HD% A 54 GLU HBx 1.0 . 4.08 3292 2924 A 48 PHE HD% A 54 GLU HBy 1.0 . 4.08 3293 2925 A 48 PHE HE% A 50 LEU HDy% 1.0 . 2.84 3294 2925 A 48 PHE HE% A 50 LEU HDx% 1.0 . 2.84 3295 2926 A 48 PHE HE% A 63 VAL HGy% 1.0 . 3.50 3296 2926 A 48 PHE HE% A 63 VAL HGx% 1.0 . 3.50 3297 2927 A 48 PHE HZ A 50 LEU HDy% 1.0 . 4.26 3298 2927 A 48 PHE HZ A 50 LEU HDx% 1.0 . 4.26 3299 2928 A 49 MET H A 49 MET HBy 1.0 . 2.74 3300 2928 A 49 MET H A 49 MET HBx 1.0 . 2.74 3301 2929 A 49 MET H A 54 GLU HBx 1.0 . 4.69 3302 2929 A 49 MET H A 54 GLU HBy 1.0 . 4.69 3303 2930 A 49 MET HE% A 49 MET HBy 1.0 . 3.50 3304 2930 A 49 MET HE% A 49 MET HBx 1.0 . 3.50 3305 2931 A 50 LEU H A 49 MET HBy 1.0 . 4.21 3306 2931 A 50 LEU H A 49 MET HBx 1.0 . 4.21 3307 2932 A 49 MET HBx A 54 GLU HG2 1.0 . 4.35 3308 2932 A 49 MET HBy A 54 GLU HG2 1.0 . 4.35 3309 2932 A 54 GLU HG3 A 49 MET HBy 1.0 . 4.35 3310 2932 A 54 GLU HG3 A 49 MET HBx 1.0 . 4.35 3311 2933 A 50 LEU H A 50 LEU HDy% 1.0 . 3.39 3312 2933 A 50 LEU H A 50 LEU HDx% 1.0 . 3.39 3313 2934 A 50 LEU HA A 50 LEU HDy% 1.0 . 2.99 3314 2934 A 50 LEU HA A 50 LEU HDx% 1.0 . 2.99 3315 2935 A 50 LEU HBy A 50 LEU HDy% 1.0 . 2.74 3316 2935 A 50 LEU HBy A 50 LEU HDx% 1.0 . 2.74 3317 2936 A 50 LEU HBy A 51 GLY HAx 1.0 . 5.28 3318 2936 A 50 LEU HBy A 51 GLY HAy 1.0 . 5.28 3319 2937 A 50 LEU HBx A 51 GLY HAx 1.0 . 5.13 3320 2937 A 50 LEU HBx A 51 GLY HAy 1.0 . 5.13 3321 2938 A 51 GLY H A 50 LEU HDy% 1.0 . 3.49 3322 2938 A 51 GLY H A 50 LEU HDx% 1.0 . 3.49 3323 2939 A 50 LEU HDy% A 51 GLY HAx 1.0 . 5.07 3324 2939 A 50 LEU HDx% A 51 GLY HAx 1.0 . 5.07 3325 2939 A 51 GLY HAy A 50 LEU HDy% 1.0 . 5.07 3326 2939 A 50 LEU HDx% A 51 GLY HAy 1.0 . 5.07 3327 2940 A 53 GLN H A 50 LEU HDy% 1.0 . 5.58 3328 2940 A 53 GLN H A 50 LEU HDx% 1.0 . 5.58 3329 2941 A 55 VAL HGy% A 50 LEU HDy% 1.0 . 4.08 3330 2941 A 55 VAL HGy% A 50 LEU HDx% 1.0 . 4.08 3331 2942 A 60 GLU H A 50 LEU HDy% 1.0 . 4.34 3332 2942 A 60 GLU H A 50 LEU HDx% 1.0 . 4.34 3333 2943 A 60 GLU HA A 50 LEU HDy% 1.0 . 3.14 3334 2943 A 60 GLU HA A 50 LEU HDx% 1.0 . 3.14 3335 2944 A 60 GLU HBy A 50 LEU HDy% 1.0 . 3.48 3336 2944 A 60 GLU HBy A 50 LEU HDx% 1.0 . 3.48 3337 2945 A 60 GLU HBx A 50 LEU HDy% 1.0 . 3.13 3338 2945 A 60 GLU HBx A 50 LEU HDx% 1.0 . 3.13 3339 2946 A 60 GLU HGx A 50 LEU HDy% 1.0 . 3.32 3340 2946 A 60 GLU HGx A 50 LEU HDx% 1.0 . 3.32 3341 2947 A 60 GLU HGy A 50 LEU HDy% 1.0 . 3.67 3342 2947 A 60 GLU HGy A 50 LEU HDx% 1.0 . 3.67 3343 2948 A 61 GLU H A 50 LEU HDy% 1.0 . 5.17 3344 2948 A 61 GLU H A 50 LEU HDx% 1.0 . 5.17 3345 2949 A 61 GLU HA A 50 LEU HDy% 1.0 . 5.79 3346 2949 A 61 GLU HA A 50 LEU HDx% 1.0 . 5.79 3347 2950 A 64 ALA HA A 50 LEU HDy% 1.0 . 4.45 3348 2950 A 64 ALA HA A 50 LEU HDx% 1.0 . 4.45 3349 2951 A 53 GLN H A 51 GLY HAx 1.0 . 4.52 3350 2951 A 53 GLN H A 51 GLY HAy 1.0 . 4.52 3351 2952 A 53 GLN HA A 53 GLN HGx 1.0 . 2.94 3352 2952 A 53 GLN HA A 53 GLN HGy 1.0 . 2.94 3353 2953 A 55 VAL H A 54 GLU HBx 1.0 . 3.46 3354 2953 A 55 VAL H A 54 GLU HBy 1.0 . 3.46 3355 2954 A 55 VAL HGx% A 54 GLU HBx 1.0 . 3.51 3356 2954 A 55 VAL HGx% A 54 GLU HBy 1.0 . 3.51 3357 2955 A 56 ILE HG2% A 97 LEU HDy% 1.0 . 5.21 3358 2955 A 56 ILE HG2% A 97 LEU HDx% 1.0 . 5.21 3359 2956 A 57 ARG HA A 61 GLU HGy 1.0 . 4.64 3360 2956 A 57 ARG HA A 61 GLU HGx 1.0 . 4.64 3361 2957 A 57 ARG HGx A 61 GLU HGy 1.0 . 3.64 3362 2957 A 57 ARG HGx A 61 GLU HGx 1.0 . 3.64 3363 2958 A 57 ARG HGy A 61 GLU HGy 1.0 . 4.14 3364 2958 A 57 ARG HGy A 61 GLU HGx 1.0 . 4.14 3365 2959 A 58 GLY HAy A 61 GLU HGy 1.0 . 4.66 3366 2959 A 58 GLY HAy A 61 GLU HGx 1.0 . 4.66 3367 2960 A 59 TRP HA A 63 VAL HGy% 1.0 . 3.96 3368 2960 A 59 TRP HA A 63 VAL HGx% 1.0 . 3.96 3369 2961 A 59 TRP HA A 74 LEU HDy% 1.0 . 3.62 3370 2961 A 59 TRP HA A 74 LEU HDx% 1.0 . 3.62 3371 2962 A 59 TRP HB3 A 63 VAL HGy% 1.0 . 3.73 3372 2962 A 59 TRP HB2 A 63 VAL HGy% 1.0 . 3.73 3373 2962 A 63 VAL HGx% A 59 TRP HB2 1.0 . 3.73 3374 2962 A 59 TRP HB3 A 63 VAL HGx% 1.0 . 3.73 3375 2963 A 59 TRP HD1 A 74 LEU HDy% 1.0 . 4.07 3376 2963 A 59 TRP HD1 A 74 LEU HDx% 1.0 . 4.07 3377 2964 A 59 TRP HE3 A 63 VAL HGy% 1.0 . 4.69 3378 2964 A 59 TRP HE3 A 63 VAL HGx% 1.0 . 4.69 3379 2965 A 60 GLU H A 61 GLU HGy 1.0 . 5.11 3380 2965 A 60 GLU H A 61 GLU HGx 1.0 . 5.11 3381 2966 A 60 GLU H A 63 VAL HGy% 1.0 . 5.14 3382 2966 A 60 GLU H A 63 VAL HGx% 1.0 . 5.14 3383 2967 A 60 GLU HA A 63 VAL HGy% 1.0 . 3.51 3384 2967 A 60 GLU HA A 63 VAL HGx% 1.0 . 3.51 3385 2968 A 60 GLU HBy A 61 GLU HGy 1.0 . 3.30 3386 2968 A 60 GLU HBy A 61 GLU HGx 1.0 . 3.30 3387 2969 A 61 GLU H A 61 GLU HGy 1.0 . 3.13 3388 2969 A 61 GLU H A 61 GLU HGx 1.0 . 3.13 3389 2970 A 61 GLU H A 63 VAL HGy% 1.0 . 5.52 3390 2970 A 61 GLU H A 63 VAL HGx% 1.0 . 5.52 3391 2971 A 61 GLU HA A 61 GLU HGy 1.0 . 3.37 3392 2971 A 61 GLU HA A 61 GLU HGx 1.0 . 3.37 3393 2972 A 61 GLU HA A 63 VAL HGy% 1.0 . 5.92 3394 2972 A 61 GLU HA A 63 VAL HGx% 1.0 . 5.92 3395 2973 A 62 GLY H A 61 GLU HGy 1.0 . 4.76 3396 2973 A 62 GLY H A 61 GLU HGx 1.0 . 4.76 3397 2974 A 80 TYR HD% A 61 GLU HGy 1.0 . 5.46 3398 2974 A 80 TYR HD% A 61 GLU HGx 1.0 . 5.46 3399 2975 A 80 TYR HE% A 61 GLU HGy 1.0 . 4.53 3400 2975 A 80 TYR HE% A 61 GLU HGx 1.0 . 4.53 3401 2976 A 62 GLY H A 63 VAL HGy% 1.0 . 4.20 3402 2976 A 62 GLY H A 63 VAL HGx% 1.0 . 4.20 3403 2977 A 62 GLY H A 74 LEU HDy% 1.0 . 4.26 3404 2977 A 62 GLY H A 74 LEU HDx% 1.0 . 4.26 3405 2978 A 62 GLY HAy A 63 VAL HGy% 1.0 . 5.15 3406 2978 A 62 GLY HAy A 63 VAL HGx% 1.0 . 5.15 3407 2979 A 62 GLY HAx A 63 VAL HGy% 1.0 . 4.93 3408 2979 A 62 GLY HAx A 63 VAL HGx% 1.0 . 4.93 3409 2980 A 62 GLY HAx A 74 LEU HDy% 1.0 . 3.40 3410 2980 A 62 GLY HAx A 74 LEU HDx% 1.0 . 3.40 3411 2981 A 63 VAL H A 63 VAL HGy% 1.0 . 2.81 3412 2981 A 63 VAL H A 63 VAL HGx% 1.0 . 2.81 3413 2982 A 63 VAL H A 74 LEU HDy% 1.0 . 3.25 3414 2982 A 63 VAL H A 74 LEU HDx% 1.0 . 3.25 3415 2983 A 63 VAL HA A 63 VAL HGy% 1.0 . 2.77 3416 2983 A 63 VAL HA A 63 VAL HGx% 1.0 . 2.77 3417 2984 A 63 VAL HA A 74 LEU HDy% 1.0 . 3.81 3418 2984 A 63 VAL HA A 74 LEU HDx% 1.0 . 3.81 3419 2985 A 64 ALA HA A 63 VAL HGy% 1.0 . 3.80 3420 2985 A 64 ALA HA A 63 VAL HGx% 1.0 . 3.80 3421 2986 A 64 ALA HB% A 63 VAL HGy% 1.0 . 4.45 3422 2986 A 64 ALA HB% A 63 VAL HGx% 1.0 . 4.45 3423 2987 A 65 GLN H A 63 VAL HGy% 1.0 . 4.81 3424 2987 A 65 GLN H A 63 VAL HGx% 1.0 . 4.81 3425 2988 A 66 MET H A 63 VAL HGy% 1.0 . 4.47 3426 2988 A 66 MET H A 63 VAL HGx% 1.0 . 4.47 3427 2989 A 66 MET HBy A 63 VAL HGy% 1.0 . 4.39 3428 2989 A 66 MET HBy A 63 VAL HGx% 1.0 . 4.39 3429 2990 A 66 MET HBx A 63 VAL HGy% 1.0 . 5.25 3430 2990 A 66 MET HBx A 63 VAL HGx% 1.0 . 5.25 3431 2991 A 66 MET HGy A 63 VAL HGy% 1.0 . 4.24 3432 2991 A 66 MET HGy A 63 VAL HGx% 1.0 . 4.24 3433 2992 A 66 MET HE% A 63 VAL HGy% 1.0 . 3.38 3434 2992 A 66 MET HE% A 63 VAL HGx% 1.0 . 3.38 3435 2993 A 63 VAL HGy% A 103 LEU HDy% 1.0 . 3.12 3436 2993 A 63 VAL HGx% A 103 LEU HDy% 1.0 . 3.12 3437 2993 A 103 LEU HDx% A 63 VAL HGy% 1.0 . 3.12 3438 2993 A 103 LEU HDx% A 63 VAL HGx% 1.0 . 3.12 3439 2994 A 64 ALA H A 74 LEU HDy% 1.0 . 4.48 3440 2994 A 64 ALA H A 74 LEU HDx% 1.0 . 4.48 3441 2995 A 65 GLN H A 74 LEU HDy% 1.0 . 4.44 3442 2995 A 65 GLN H A 74 LEU HDx% 1.0 . 4.44 3443 2996 A 66 MET H A 103 LEU HDy% 1.0 . 3.95 3444 2996 A 66 MET H A 103 LEU HDx% 1.0 . 3.95 3445 2997 A 66 MET HA A 103 LEU HDy% 1.0 . 4.92 3446 2997 A 66 MET HA A 103 LEU HDx% 1.0 . 4.92 3447 2998 A 66 MET HBy A 103 LEU HDy% 1.0 . 3.15 3448 2998 A 66 MET HBy A 103 LEU HDx% 1.0 . 3.15 3449 2999 A 66 MET HBx A 103 LEU HDy% 1.0 . 3.68 3450 2999 A 66 MET HBx A 103 LEU HDx% 1.0 . 3.68 3451 3000 A 66 MET HGy A 103 LEU HDy% 1.0 . 4.07 3452 3000 A 66 MET HGy A 103 LEU HDx% 1.0 . 4.07 3453 3001 A 67 SER H A 103 LEU HDy% 1.0 . 4.21 3454 3001 A 67 SER H A 103 LEU HDx% 1.0 . 4.21 3455 3002 A 67 SER HA A 103 LEU HDy% 1.0 . 5.07 3456 3002 A 67 SER HA A 103 LEU HDx% 1.0 . 5.07 3457 3003 A 67 SER HBy A 103 LEU HDy% 1.0 . 5.92 3458 3003 A 67 SER HBy A 103 LEU HDx% 1.0 . 5.92 3459 3004 A 67 SER HBy A 106 LEU HDy% 1.0 . 5.92 3460 3004 A 67 SER HBy A 106 LEU HDx% 1.0 . 5.92 3461 3005 A 67 SER HBx A 103 LEU HDy% 1.0 . 5.92 3462 3005 A 67 SER HBx A 103 LEU HDx% 1.0 . 5.92 3463 3006 A 68 VAL H A 103 LEU HDy% 1.0 . 3.80 3464 3006 A 68 VAL H A 103 LEU HDx% 1.0 . 3.80 3465 3007 A 68 VAL H A 106 LEU HDy% 1.0 . 4.98 3466 3007 A 68 VAL H A 106 LEU HDx% 1.0 . 4.98 3467 3008 A 68 VAL HA A 103 LEU HDy% 1.0 . 3.08 3468 3008 A 68 VAL HA A 103 LEU HDx% 1.0 . 3.08 3469 3009 A 68 VAL HA A 106 LEU HDy% 1.0 . 5.08 3470 3009 A 68 VAL HA A 106 LEU HDx% 1.0 . 5.08 3471 3010 A 68 VAL HB A 106 LEU HDy% 1.0 . 4.76 3472 3010 A 68 VAL HB A 106 LEU HDx% 1.0 . 4.76 3473 3011 A 68 VAL HGy% A 106 LEU HDy% 1.0 . 2.56 3474 3011 A 68 VAL HGy% A 106 LEU HDx% 1.0 . 2.56 3475 3012 A 69 GLY H A 103 LEU HDy% 1.0 . 3.75 3476 3012 A 69 GLY H A 103 LEU HDx% 1.0 . 3.75 3477 3013 A 70 GLN H A 103 LEU HDy% 1.0 . 4.84 3478 3013 A 70 GLN H A 103 LEU HDx% 1.0 . 4.84 3479 3014 A 74 LEU H A 74 LEU HDy% 1.0 . 3.39 3480 3014 A 74 LEU H A 74 LEU HDx% 1.0 . 3.39 3481 3015 A 74 LEU HBy A 74 LEU HDy% 1.0 . 2.92 3482 3015 A 74 LEU HBy A 74 LEU HDx% 1.0 . 2.92 3483 3016 A 74 LEU HBx A 74 LEU HDy% 1.0 . 2.77 3484 3016 A 74 LEU HBx A 74 LEU HDx% 1.0 . 2.77 3485 3017 A 99 PHE H A 74 LEU HDy% 1.0 . 4.43 3486 3017 A 99 PHE H A 74 LEU HDx% 1.0 . 4.43 3487 3018 A 99 PHE HBx A 74 LEU HDy% 1.0 . 3.41 3488 3018 A 99 PHE HBx A 74 LEU HDx% 1.0 . 3.41 3489 3019 A 99 PHE HBy A 74 LEU HDy% 1.0 . 3.64 3490 3019 A 99 PHE HBy A 74 LEU HDx% 1.0 . 3.64 3491 3020 A 99 PHE HD% A 74 LEU HDy% 1.0 . 4.56 3492 3020 A 99 PHE HD% A 74 LEU HDx% 1.0 . 4.56 3493 3021 A 100 ASP H A 74 LEU HDy% 1.0 . 4.57 3494 3021 A 100 ASP H A 74 LEU HDx% 1.0 . 4.57 3495 3022 A 100 ASP HA A 74 LEU HDy% 1.0 . 3.80 3496 3022 A 100 ASP HA A 74 LEU HDx% 1.0 . 3.80 3497 3023 A 100 ASP HBx A 74 LEU HDy% 1.0 . 5.92 3498 3023 A 100 ASP HBx A 74 LEU HDx% 1.0 . 5.92 3499 3024 A 101 VAL H A 74 LEU HDy% 1.0 . 3.33 3500 3024 A 101 VAL H A 74 LEU HDx% 1.0 . 3.33 3501 3025 A 75 THR HA A 98 VAL HGy% 1.0 . 3.53 3502 3025 A 75 THR HA A 98 VAL HGx% 1.0 . 3.53 3503 3026 A 77 SER H A 77 SER HBx 1.0 . 3.31 3504 3026 A 77 SER H A 77 SER HBy 1.0 . 3.31 3505 3027 A 77 SER HA A 97 LEU HDy% 1.0 . 4.56 3506 3027 A 77 SER HA A 97 LEU HDx% 1.0 . 4.56 3507 3028 A 78 PRO HDy A 77 SER HBx 1.0 . 3.34 3508 3028 A 78 PRO HDy A 77 SER HBy 1.0 . 3.34 3509 3029 A 79 ASP H A 77 SER HBx 1.0 . 3.79 3510 3029 A 79 ASP H A 77 SER HBy 1.0 . 3.79 3511 3030 A 79 ASP HBy A 77 SER HBx 1.0 . 4.48 3512 3030 A 79 ASP HBy A 77 SER HBy 1.0 . 4.48 3513 3031 A 80 TYR H A 77 SER HBx 1.0 . 4.44 3514 3031 A 80 TYR H A 77 SER HBy 1.0 . 4.44 3515 3032 A 96 THR HA A 77 SER HBx 1.0 . 4.21 3516 3032 A 96 THR HA A 77 SER HBy 1.0 . 4.21 3517 3033 A 78 PRO HA A 97 LEU HDy% 1.0 . 4.28 3518 3033 A 78 PRO HA A 97 LEU HDx% 1.0 . 4.28 3519 3034 A 81 ALA HA A 97 LEU HDy% 1.0 . 4.87 3520 3034 A 81 ALA HA A 97 LEU HDx% 1.0 . 4.87 3521 3035 A 81 ALA HB% A 97 LEU HDy% 1.0 . 3.09 3522 3035 A 81 ALA HB% A 97 LEU HDx% 1.0 . 3.09 3523 3036 A 82 TYR H A 97 LEU HDy% 1.0 . 5.92 3524 3036 A 82 TYR H A 97 LEU HDx% 1.0 . 5.92 3525 3037 A 82 TYR HBy A 97 LEU HDy% 1.0 . 5.18 3526 3037 A 82 TYR HBy A 97 LEU HDx% 1.0 . 5.18 3527 3038 A 82 TYR HBx A 97 LEU HDy% 1.0 . 5.92 3528 3038 A 82 TYR HBx A 97 LEU HDx% 1.0 . 5.92 3529 3039 A 82 TYR HD% A 97 LEU HDy% 1.0 . 3.28 3530 3039 A 82 TYR HD% A 97 LEU HDx% 1.0 . 3.28 3531 3040 A 82 TYR HE% A 97 LEU HDy% 1.0 . 2.96 3532 3040 A 82 TYR HE% A 97 LEU HDx% 1.0 . 2.96 3533 3041 A 87 HIS H A 88 PRO HDx 1.0 . 5.29 3534 3041 A 87 HIS H A 88 PRO HDy 1.0 . 5.29 3535 3042 A 87 HIS HA A 88 PRO HDx 1.0 . 3.08 3536 3042 A 87 HIS HA A 88 PRO HDy 1.0 . 3.08 3537 3043 A 87 HIS HBx A 88 PRO HDx 1.0 . 5.81 3538 3043 A 87 HIS HBx A 88 PRO HDy 1.0 . 5.81 3539 3044 A 87 HIS HD2 A 88 PRO HDx 1.0 . 3.96 3540 3044 A 87 HIS HD2 A 88 PRO HDy 1.0 . 3.96 3541 3045 A 91 ILE HG1x A 97 LEU HDy% 1.0 . 4.92 3542 3045 A 91 ILE HG1x A 97 LEU HDx% 1.0 . 4.92 3543 3046 A 91 ILE HD1% A 97 LEU HDy% 1.0 . 2.93 3544 3046 A 91 ILE HD1% A 97 LEU HDx% 1.0 . 2.93 3545 3047 A 93 PRO HDx A 92 PRO HBx 1.0 . 3.10 3546 3047 A 93 PRO HDx A 92 PRO HBy 1.0 . 3.10 3547 3048 A 96 THR H A 97 LEU HDy% 1.0 . 5.33 3548 3048 A 96 THR H A 97 LEU HDx% 1.0 . 5.33 3549 3049 A 96 THR HA A 97 LEU HDy% 1.0 . 4.91 3550 3049 A 96 THR HA A 97 LEU HDx% 1.0 . 4.91 3551 3050 A 97 LEU H A 97 LEU HDy% 1.0 . 3.64 3552 3050 A 97 LEU H A 97 LEU HDx% 1.0 . 3.64 3553 3051 A 97 LEU HA A 97 LEU HDy% 1.0 . 2.93 3554 3051 A 97 LEU HA A 97 LEU HDx% 1.0 . 2.93 3555 3052 A 97 LEU HA A 98 VAL HGy% 1.0 . 4.33 3556 3052 A 97 LEU HA A 98 VAL HGx% 1.0 . 4.33 3557 3053 A 97 LEU HBy A 97 LEU HDy% 1.0 . 2.82 3558 3053 A 97 LEU HBy A 97 LEU HDx% 1.0 . 2.82 3559 3054 A 98 VAL H A 97 LEU HDy% 1.0 . 3.80 3560 3054 A 98 VAL H A 97 LEU HDx% 1.0 . 3.80 3561 3055 A 99 PHE HD% A 97 LEU HDy% 1.0 . 4.70 3562 3055 A 99 PHE HD% A 97 LEU HDx% 1.0 . 4.70 3563 3056 A 99 PHE HE% A 97 LEU HDy% 1.0 . 3.58 3564 3056 A 99 PHE HE% A 97 LEU HDx% 1.0 . 3.58 3565 3057 A 99 PHE HZ A 97 LEU HDy% 1.0 . 3.79 3566 3057 A 99 PHE HZ A 97 LEU HDx% 1.0 . 3.79 3567 3058 A 98 VAL H A 98 VAL HGy% 1.0 . 3.02 3568 3058 A 98 VAL H A 98 VAL HGx% 1.0 . 3.02 3569 3059 A 99 PHE H A 98 VAL HGy% 1.0 . 3.12 3570 3059 A 99 PHE H A 98 VAL HGx% 1.0 . 3.12 3571 3060 A 103 LEU H A 103 LEU HDy% 1.0 . 3.80 3572 3060 A 103 LEU H A 103 LEU HDx% 1.0 . 3.80 3573 3061 A 103 LEU HA A 103 LEU HDy% 1.0 . 2.88 3574 3061 A 103 LEU HA A 103 LEU HDx% 1.0 . 2.88 3575 3062 A 103 LEU HBy A 103 LEU HDy% 1.0 . 2.85 3576 3062 A 103 LEU HBy A 103 LEU HDx% 1.0 . 2.85 3577 3063 A 103 LEU HBx A 103 LEU HDy% 1.0 . 2.72 3578 3063 A 103 LEU HBx A 103 LEU HDx% 1.0 . 2.72 3579 3064 A 104 LEU H A 103 LEU HDy% 1.0 . 3.39 3580 3064 A 104 LEU H A 103 LEU HDx% 1.0 . 3.39 3581 3065 A 106 LEU HA A 106 LEU HDy% 1.0 . 2.94 3582 3065 A 106 LEU HA A 106 LEU HDx% 1.0 . 2.94 3583 3066 A 106 LEU HBy A 106 LEU HDy% 1.0 . 2.76 3584 3066 A 106 LEU HBy A 106 LEU HDx% 1.0 . 2.76 3585 3067 A 106 LEU HBx A 106 LEU HDy% 1.0 . 2.80 3586 3067 A 106 LEU HBx A 106 LEU HDx% 1.0 . 2.80 3587 3068 A 107 GLU H A 106 LEU HDy% 1.0 . 3.96 3588 3068 A 107 GLU H A 106 LEU HDx% 1.0 . 3.96 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type undefined save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 GLY C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -168.3 -95.2 PHI 2 2 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 GLN N 1.0 108.0 193.6 PSI 3 3 A 2 VAL C A 3 GLN N A 3 GLN CA A 3 GLN C 1.0 -152.3 -90.8 PHI 4 4 A 3 GLN N A 3 GLN CA A 3 GLN C A 4 VAL N 1.0 95.3 151.1 PSI 5 5 A 3 GLN C A 4 VAL N A 4 VAL CA A 4 VAL C 1.0 -126.5 -86.5 PHI 6 6 A 4 VAL N A 4 VAL CA A 4 VAL C A 5 GLU N 1.0 105.2 145.2 PSI 7 7 A 4 VAL C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -166.4 -54.1 PHI 8 8 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 THR N 1.0 92.7 136.0 PSI 9 9 A 5 GLU C A 6 THR N A 6 THR CA A 6 THR C 1.0 -97.3 -53.6 PHI 10 10 A 6 THR N A 6 THR CA A 6 THR C A 7 ILE N 1.0 109.5 149.5 PSI 11 11 A 6 THR C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -130.4 -67.0 PHI 12 12 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 SER N 1.0 -59.7 -19.7 PSI 13 13 A 7 ILE C A 8 SER N A 8 SER CA A 8 SER C 1.0 -192.2 -75.8 PHI 14 14 A 8 SER N A 8 SER CA A 8 SER C A 9 PRO N 1.0 103.1 214.0 PSI 15 15 A 13 ARG C A 14 THR N A 14 THR CA A 14 THR C 1.0 -129.0 -68.3 PHI 16 16 A 14 THR N A 14 THR CA A 14 THR C A 15 PHE N 1.0 86.2 151.9 PSI 17 17 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 GLY N 1.0 113.4 153.4 PSI 18 18 A 18 ARG C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 69.8 119.1 PHI 19 19 A 19 GLY N A 19 GLY CA A 19 GLY C A 20 GLN N 1.0 -46.0 14.7 PSI 20 20 A 19 GLY C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -157.4 -21.5 PHI 21 21 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 THR N 1.0 110.9 160.1 PSI 22 22 A 20 GLN C A 21 THR N A 21 THR CA A 21 THR C 1.0 -148.2 -54.5 PHI 23 23 A 21 THR N A 21 THR CA A 21 THR C A 22 CYS N 1.0 104.4 145.1 PSI 24 24 A 21 THR C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -159.0 -60.6 PHI 25 25 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 VAL N 1.0 95.7 169.7 PSI 26 26 A 22 CYS C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -126.5 -73.3 PHI 27 27 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 VAL N 1.0 108.5 163.2 PSI 28 28 A 23 VAL C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -156.7 -116.7 PHI 29 29 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 HIS N 1.0 137.7 188.9 PSI 30 30 A 24 VAL C A 25 HIS N A 25 HIS CA A 25 HIS C 1.0 -167.8 -99.1 PHI 31 31 A 25 HIS N A 25 HIS CA A 25 HIS C A 26 TYR N 1.0 126.0 166.0 PSI 32 32 A 25 HIS C A 26 TYR N A 26 TYR CA A 26 TYR C 1.0 -169.7 -115.0 PHI 33 33 A 26 TYR N A 26 TYR CA A 26 TYR C A 27 THR N 1.0 125.3 172.7 PSI 34 34 A 26 TYR C A 27 THR N A 27 THR CA A 27 THR C 1.0 -167.2 -103.5 PHI 35 35 A 27 THR N A 27 THR CA A 27 THR C A 28 GLY N 1.0 105.6 145.6 PSI 36 36 A 27 THR C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 -171.4 -68.6 PHI 37 37 A 28 GLY N A 28 GLY CA A 28 GLY C A 29 MET N 1.0 85.1 202.1 PSI 38 38 A 28 GLY C A 29 MET N A 29 MET CA A 29 MET C 1.0 -170.6 -96.0 PHI 39 39 A 29 MET N A 29 MET CA A 29 MET C A 30 LEU N 1.0 117.4 198.7 PSI 40 40 A 29 MET C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -105.8 -48.3 PHI 41 41 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 GLU N 1.0 130.8 195.5 PSI 42 42 A 30 LEU C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -78.5 -38.5 PHI 43 43 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 ASP N 1.0 -46.1 -5.8 PSI 44 44 A 31 GLU C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -106.2 -66.2 PHI 45 45 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 GLY N 1.0 -16.7 24.6 PSI 46 46 A 32 ASP C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 72.0 112.0 PHI 47 47 A 36 PHE C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -188.4 -60.0 PHI 48 48 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 SER N 1.0 111.7 167.7 PSI 49 49 A 37 ASP C A 38 SER N A 38 SER CA A 38 SER C 1.0 -121.8 -54.0 PHI 50 50 A 38 SER N A 38 SER CA A 38 SER C A 39 SER N 1.0 74.0 168.7 PSI 51 51 A 38 SER C A 39 SER N A 39 SER CA A 39 SER C 1.0 -77.9 -37.9 PHI 52 52 A 39 SER N A 39 SER CA A 39 SER C A 40 ARG N 1.0 -55.3 -15.3 PSI 53 53 A 39 SER C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -84.0 -44.0 PHI 54 54 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 ASP N 1.0 -63.3 -23.3 PSI 55 55 A 40 ARG C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -86.1 -46.1 PHI 56 56 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 ARG N 1.0 -51.9 -6.6 PSI 57 57 A 41 ASP C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -117.5 -66.8 PHI 58 58 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 ASN N 1.0 -24.9 24.8 PSI 59 59 A 45 PRO N A 45 PRO CA A 45 PRO C A 46 PHE N 1.0 100.8 157.6 PSI 60 60 A 45 PRO C A 46 PHE N A 46 PHE CA A 46 PHE C 1.0 -145.0 -69.8 PHI 61 61 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 MET N 1.0 121.3 181.9 PSI 62 62 A 48 PHE C A 49 MET N A 49 MET CA A 49 MET C 1.0 -156.0 -40.4 PHI 63 63 A 49 MET N A 49 MET CA A 49 MET C A 50 LEU N 1.0 81.4 172.5 PSI 64 64 A 49 MET C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -91.5 -49.8 PHI 65 65 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 GLY N 1.0 111.3 151.8 PSI 66 66 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 GLU N 1.0 14.5 54.5 PSI 67 67 A 53 GLN C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -121.1 -66.7 PHI 68 68 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 VAL N 1.0 -39.5 30.2 PSI 69 69 A 58 GLY C A 59 TRP N A 59 TRP CA A 59 TRP C 1.0 -84.1 -44.1 PHI 70 70 A 59 TRP N A 59 TRP CA A 59 TRP C A 60 GLU N 1.0 -58.1 -14.4 PSI 71 71 A 59 TRP C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -79.5 -39.5 PHI 72 72 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 GLU N 1.0 -65.5 -25.5 PSI 73 73 A 60 GLU C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -84.0 -44.0 PHI 74 74 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 GLY N 1.0 -62.8 -22.8 PSI 75 75 A 62 GLY C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -84.1 -44.1 PHI 76 76 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 ALA N 1.0 -58.5 -18.5 PSI 77 77 A 63 VAL C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -83.5 -43.5 PHI 78 78 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 GLN N 1.0 -44.6 -4.6 PSI 79 79 A 64 ALA C A 65 GLN N A 65 GLN CA A 65 GLN C 1.0 -131.0 -73.0 PHI 80 80 A 65 GLN N A 65 GLN CA A 65 GLN C A 66 MET N 1.0 -27.0 36.9 PSI 81 81 A 66 MET C A 67 SER N A 67 SER CA A 67 SER C 1.0 -136.8 -77.6 PHI 82 82 A 67 SER N A 67 SER CA A 67 SER C A 68 VAL N 1.0 141.2 181.2 PSI 83 83 A 67 SER C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -80.8 -40.8 PHI 84 84 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 GLY N 1.0 112.8 152.8 PSI 85 85 A 68 VAL C A 69 GLY N A 69 GLY CA A 69 GLY C 1.0 64.8 119.5 PHI 86 86 A 69 GLY N A 69 GLY CA A 69 GLY C A 70 GLN N 1.0 -33.4 9.9 PSI 87 87 A 69 GLY C A 70 GLN N A 70 GLN CA A 70 GLN C 1.0 -149.9 -57.0 PHI 88 88 A 70 GLN N A 70 GLN CA A 70 GLN C A 71 ARG N 1.0 104.9 156.0 PSI 89 89 A 70 GLN C A 71 ARG N A 71 ARG CA A 71 ARG C 1.0 -141.4 -101.4 PHI 90 90 A 71 ARG N A 71 ARG CA A 71 ARG C A 72 ALA N 1.0 106.6 146.6 PSI 91 91 A 71 ARG C A 72 ALA N A 72 ALA CA A 72 ALA C 1.0 -158.2 -106.0 PHI 92 92 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 THR N 1.0 94.3 141.3 PSI 93 93 A 74 LEU C A 75 THR N A 75 THR CA A 75 THR C 1.0 -136.1 -71.0 PHI 94 94 A 75 THR N A 75 THR CA A 75 THR C A 76 ILE N 1.0 102.5 145.0 PSI 95 95 A 75 THR C A 76 ILE N A 76 ILE CA A 76 ILE C 1.0 -129.9 -89.9 PHI 96 96 A 76 ILE N A 76 ILE CA A 76 ILE C A 77 SER N 1.0 105.2 145.2 PSI 97 97 A 78 PRO N A 78 PRO CA A 78 PRO C A 79 ASP N 1.0 -58.4 -14.5 PSI 98 98 A 78 PRO C A 79 ASP N A 79 ASP CA A 79 ASP C 1.0 -88.2 -48.2 PHI 99 99 A 79 ASP N A 79 ASP CA A 79 ASP C A 80 TYR N 1.0 -34.6 11.0 PSI 100 100 A 84 ALA C A 85 THR N A 85 THR CA A 85 THR C 1.0 -109.8 -48.3 PHI 101 101 A 85 THR N A 85 THR CA A 85 THR C A 86 GLY N 1.0 -60.1 2.3 PSI 102 102 A 86 GLY C A 87 HIS N A 87 HIS CA A 87 HIS C 1.0 -140.0 -70.5 PHI 103 103 A 87 HIS N A 87 HIS CA A 87 HIS C A 88 PRO N 1.0 89.0 161.4 PSI 104 104 A 88 PRO N A 88 PRO CA A 88 PRO C A 89 GLY N 1.0 109.6 149.6 PSI 105 105 A 90 ILE C A 91 ILE N A 91 ILE CA A 91 ILE C 1.0 -147.0 -84.6 PHI 106 106 A 91 ILE N A 91 ILE CA A 91 ILE C A 92 PRO N 1.0 79.5 199.2 PSI 107 107 A 95 ALA C A 96 THR N A 96 THR CA A 96 THR C 1.0 -137.3 -53.8 PHI 108 108 A 96 THR N A 96 THR CA A 96 THR C A 97 LEU N 1.0 110.9 152.5 PSI 109 109 A 96 THR C A 97 LEU N A 97 LEU CA A 97 LEU C 1.0 -158.1 -87.6 PHI 110 110 A 97 LEU N A 97 LEU CA A 97 LEU C A 98 VAL N 1.0 110.8 187.4 PSI 111 111 A 97 LEU C A 98 VAL N A 98 VAL CA A 98 VAL C 1.0 -146.5 -95.6 PHI 112 112 A 98 VAL N A 98 VAL CA A 98 VAL C A 99 PHE N 1.0 109.2 155.2 PSI 113 113 A 98 VAL C A 99 PHE N A 99 PHE CA A 99 PHE C 1.0 -146.8 -106.8 PHI 114 114 A 99 PHE N A 99 PHE CA A 99 PHE C A 100 ASP N 1.0 114.6 171.2 PSI 115 115 A 99 PHE C A 100 ASP N A 100 ASP CA A 100 ASP C 1.0 -116.5 -75.2 PHI 116 116 A 100 ASP N A 100 ASP CA A 100 ASP C A 101 VAL N 1.0 96.1 142.5 PSI 117 117 A 100 ASP C A 101 VAL N A 101 VAL CA A 101 VAL C 1.0 -142.6 -102.6 PHI 118 118 A 101 VAL N A 101 VAL CA A 101 VAL C A 102 GLU N 1.0 108.7 154.0 PSI 119 119 A 101 VAL C A 102 GLU N A 102 GLU CA A 102 GLU C 1.0 -137.6 -94.1 PHI 120 120 A 102 GLU N A 102 GLU CA A 102 GLU C A 103 LEU N 1.0 101.7 141.7 PSI 121 121 A 102 GLU C A 103 LEU N A 103 LEU CA A 103 LEU C 1.0 -116.9 -73.8 PHI 122 122 A 103 LEU N A 103 LEU CA A 103 LEU C A 104 LEU N 1.0 89.5 129.6 PSI 123 123 A 103 LEU C A 104 LEU N A 104 LEU CA A 104 LEU C 1.0 -111.2 -59.2 PHI 124 124 A 106 LEU N A 106 LEU CA A 106 LEU C A 107 GLU N 1.0 104.2 153.0 PSI stop_ save_