data_nef_c17629_2lcs 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 -4 MET start . . 2 A -3 ALA middle . . 3 A -2 ILE middle . . 4 A -1 VAL middle . . 5 A 1 ASN middle . . 6 A 2 GLN middle . . 7 A 3 ARG middle . . 8 A 4 ALA middle . . 9 A 5 VAL middle . . 10 A 6 ALA middle . . 11 A 7 LEU middle . . 12 A 8 TYR middle . . 13 A 9 ASP middle . . 14 A 10 PHE middle . . 15 A 11 GLU middle . . 16 A 12 PRO middle . false 17 A 13 GLU middle . . 18 A 14 ASN middle . . 19 A 15 ASP middle . . 20 A 16 ASN middle . . 21 A 17 GLU middle . . 22 A 18 LEU middle . . 23 A 19 ARG middle . . 24 A 20 LEU middle . . 25 A 21 ALA middle . . 26 A 22 GLU middle . . 27 A 23 GLY middle . false 28 A 24 ASP middle . . 29 A 25 ILE middle . . 30 A 26 VAL middle . . 31 A 27 PHE middle . . 32 A 28 ILE middle . . 33 A 29 SER middle . . 34 A 30 TYR middle . . 35 A 31 LYS middle . . 36 A 32 HIS middle . . 37 A 33 GLY middle . false 38 A 34 GLN middle . . 39 A 35 GLY middle . false 40 A 36 TRP middle . . 41 A 37 LEU middle . . 42 A 38 VAL middle . . 43 A 39 ALA middle . . 44 A 40 GLU middle . . 45 A 41 ASN middle . . 46 A 42 GLU middle . . 47 A 43 SER middle . . 48 A 44 GLY middle . false 49 A 45 SER middle . . 50 A 46 LYS middle . . 51 A 47 THR middle . . 52 A 48 GLY middle . false 53 A 49 LEU middle . . 54 A 50 VAL middle . . 55 A 51 PRO middle . false 56 A 52 GLU middle . . 57 A 53 GLU middle . . 58 A 54 PHE middle . . 59 A 55 VAL middle . . 60 A 56 SER middle . . 61 A 57 TYR middle . . 62 A 58 ILE middle . . 63 A 59 GLN middle . . 64 A 60 PRO middle . false 65 A 61 GLU middle . . 66 A 62 LEU middle . . 67 A 63 GLU middle . . 68 A 64 HIS middle . . 69 A 65 HIS middle . . 70 A 66 HIS middle . . 71 A 67 HIS middle . . 72 A 68 HIS middle . . 73 A 69 HIS end . . 74 B -9 GLY start . false 75 B -8 LYS middle . . 76 B -7 PHE middle . . 77 B -6 ILE middle . . 78 B -5 PRO middle . false 79 B -4 SER middle . . 80 B -3 ARG middle . . 81 B -2 PRO middle . false 82 B -1 ALA middle . . 83 B 0 PRO middle . false 84 B 1 LYS middle . . 85 B 2 PRO middle . false 86 B 3 PRO middle . false 87 B 4 SER middle . . 88 B 5 SER middle . . 89 B 6 ALA 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 -3 ALA H H 1 8.361 0.009 A -3 ALA HA H 1 4.616 0.009 A -3 ALA HB% H 1 1.398 0.003 A -3 ALA C C 13 176.439 0.000 A -3 ALA CA C 13 51.573 0.015 A -3 ALA CB C 13 20.200 0.016 A -3 ALA N N 15 125.410 0.012 A -2 ILE H H 1 8.470 0.009 A -2 ILE HA H 1 4.146 0.003 A -2 ILE HB H 1 1.826 0.005 A -2 ILE HD1% H 1 0.879 0.007 A -2 ILE HG1y H 1 1.540 0.003 A -2 ILE HG1x H 1 1.215 0.006 A -2 ILE HG2% H 1 0.912 0.001 A -2 ILE C C 13 175.856 0.000 A -2 ILE CA C 13 61.665 0.023 A -2 ILE CB C 13 38.611 0.003 A -2 ILE CD1 C 13 12.872 0.009 A -2 ILE CG1 C 13 27.726 0.023 A -2 ILE CG2 C 13 17.709 0.003 A -2 ILE N N 15 123.092 0.008 A -1 VAL H H 1 8.167 0.007 A -1 VAL HA H 1 4.089 0.003 A -1 VAL HB H 1 1.830 0.013 A -1 VAL HGx% H 1 0.877 0.003 A -1 VAL C C 13 175.190 0.000 A -1 VAL CA C 13 62.779 0.000 A -1 VAL CB C 13 33.532 0.013 A -1 VAL CGx C 13 20.801 0.016 A -1 VAL N N 15 125.149 0.005 A 1 ASN H H 1 8.238 0.005 A 1 ASN HA H 1 4.661 0.005 A 1 ASN HBy H 1 2.900 0.007 A 1 ASN HBx H 1 2.775 0.007 A 1 ASN HD2x H 1 6.734 0.008 A 1 ASN HD2y H 1 7.447 0.009 A 1 ASN C C 13 174.455 0.000 A 1 ASN CA C 13 53.340 0.008 A 1 ASN CB C 13 37.870 0.000 A 1 ASN N N 15 121.258 0.020 A 1 ASN ND2 N 15 111.152 0.027 A 2 GLN H H 1 8.073 0.008 A 2 GLN HA H 1 4.546 0.004 A 2 GLN HBy H 1 2.101 0.002 A 2 GLN HBx H 1 1.844 0.006 A 2 GLN HE2x H 1 6.689 0.008 A 2 GLN HE2y H 1 7.474 0.010 A 2 GLN HGy H 1 2.242 0.001 A 2 GLN HGx H 1 2.182 0.001 A 2 GLN C C 13 174.756 0.000 A 2 GLN CA C 13 55.269 0.000 A 2 GLN CB C 13 31.970 0.000 A 2 GLN CG C 13 33.930 0.000 A 2 GLN N N 15 118.930 0.006 A 2 GLN NE2 N 15 112.264 0.022 A 3 ARG H H 1 8.722 0.010 A 3 ARG HA H 1 4.720 0.009 A 3 ARG HBy H 1 1.802 0.003 A 3 ARG HBx H 1 1.717 0.006 A 3 ARG HDx H 1 3.183 0.002 A 3 ARG HDy H 1 3.183 0.002 A 3 ARG HGy H 1 1.571 0.005 A 3 ARG HGx H 1 1.388 0.007 A 3 ARG C C 13 175.313 0.000 A 3 ARG CA C 13 56.469 0.000 A 3 ARG CB C 13 32.540 0.000 A 3 ARG CD C 13 43.640 0.000 A 3 ARG CG C 13 28.590 0.000 A 3 ARG N N 15 124.908 0.013 A 4 ALA H H 1 9.198 0.010 A 4 ALA HA H 1 4.990 0.010 A 4 ALA HB% H 1 0.867 0.004 A 4 ALA C C 13 173.314 0.000 A 4 ALA CA C 13 50.770 0.000 A 4 ALA CB C 13 23.215 0.035 A 4 ALA N N 15 126.210 0.015 A 5 VAL H H 1 8.684 0.008 A 5 VAL HA H 1 5.283 0.005 A 5 VAL HB H 1 1.771 0.004 A 5 VAL HGx% H 1 0.833 0.002 A 5 VAL HGy% H 1 0.860 0.002 A 5 VAL C C 13 174.805 0.000 A 5 VAL CA C 13 57.825 0.000 A 5 VAL CB C 13 35.157 0.000 A 5 VAL CGx C 13 19.521 0.000 A 5 VAL CGy C 13 21.621 0.000 A 5 VAL N N 15 117.480 0.029 A 6 ALA H H 1 9.208 0.010 A 6 ALA HA H 1 4.675 0.003 A 6 ALA HB% H 1 1.606 0.003 A 6 ALA C C 13 178.703 0.000 A 6 ALA CA C 13 51.821 0.001 A 6 ALA CB C 13 20.197 0.000 A 6 ALA N N 15 127.491 0.025 A 7 LEU H H 1 9.338 0.009 A 7 LEU HA H 1 3.886 0.002 A 7 LEU HBy H 1 0.944 0.011 A 7 LEU HBx H 1 0.453 0.008 A 7 LEU HDx% H 1 0.612 0.006 A 7 LEU HDy% H 1 0.635 0.008 A 7 LEU HG H 1 1.224 0.007 A 7 LEU C C 13 175.084 0.000 A 7 LEU CA C 13 55.345 0.000 A 7 LEU CB C 13 43.437 0.000 A 7 LEU CDx C 13 21.560 0.000 A 7 LEU CDy C 13 25.293 0.000 A 7 LEU CG C 13 26.492 0.000 A 7 LEU N N 15 127.224 0.019 A 8 TYR H H 1 6.988 0.007 A 8 TYR HA H 1 4.773 0.004 A 8 TYR HBy H 1 3.175 0.003 A 8 TYR HBx H 1 2.307 0.006 A 8 TYR HDx H 1 6.614 0.003 A 8 TYR HDy H 1 6.614 0.003 A 8 TYR HEx H 1 6.613 0.002 A 8 TYR HEy H 1 6.613 0.002 A 8 TYR C C 13 173.503 0.000 A 8 TYR CB C 13 42.787 0.054 A 8 TYR CDy C 13 134.083 0.004 A 8 TYR CEy C 13 117.600 0.000 A 8 TYR N N 15 111.211 0.011 A 9 ASP H H 1 8.361 0.009 A 9 ASP HA H 1 4.603 0.003 A 9 ASP HBy H 1 2.827 0.002 A 9 ASP HBx H 1 2.625 0.006 A 9 ASP C C 13 175.940 0.000 A 9 ASP CA C 13 54.569 0.000 A 9 ASP CB C 13 41.489 0.000 A 9 ASP N N 15 117.819 0.009 A 10 PHE H H 1 9.233 0.009 A 10 PHE HA H 1 5.075 0.005 A 10 PHE HBy H 1 3.246 0.004 A 10 PHE HBx H 1 2.829 0.005 A 10 PHE HDx H 1 7.333 0.003 A 10 PHE HDy H 1 7.333 0.003 A 10 PHE HEx H 1 7.331 0.003 A 10 PHE HEy H 1 7.331 0.003 A 10 PHE C C 13 172.522 0.000 A 10 PHE CA C 13 56.389 0.000 A 10 PHE CB C 13 42.864 0.000 A 10 PHE CDy C 13 131.390 0.007 A 10 PHE CEy C 13 128.977 0.001 A 10 PHE N N 15 122.300 0.010 A 11 GLU H H 1 8.234 0.007 A 11 GLU HA H 1 4.687 0.003 A 11 GLU HBx H 1 1.823 0.004 A 11 GLU HBy H 1 1.823 0.004 A 11 GLU HGy H 1 2.217 0.003 A 11 GLU HGx H 1 2.125 0.001 A 11 GLU C C 13 172.941 0.000 A 11 GLU CA C 13 51.415 0.000 A 11 GLU CB C 13 30.190 0.000 A 11 GLU CG C 13 34.911 0.000 A 11 GLU N N 15 128.991 0.008 A 12 PRO HA H 1 4.090 0.002 A 12 PRO HBx H 1 1.866 0.011 A 12 PRO HBy H 1 2.233 0.003 A 12 PRO HDy H 1 3.713 0.006 A 12 PRO HDx H 1 3.537 0.002 A 12 PRO HGy H 1 1.998 0.004 A 12 PRO HGx H 1 1.609 0.004 A 12 PRO C C 13 177.175 0.000 A 12 PRO CA C 13 62.599 0.000 A 12 PRO CB C 13 34.485 0.000 A 12 PRO CD C 13 50.756 0.000 A 12 PRO CG C 13 27.651 0.022 A 13 GLU H H 1 8.952 0.009 A 13 GLU HA H 1 4.379 0.001 A 13 GLU HBy H 1 2.237 0.005 A 13 GLU HBx H 1 1.598 0.004 A 13 GLU HGy H 1 2.253 0.003 A 13 GLU HGx H 1 2.198 0.001 A 13 GLU C C 13 175.065 0.000 A 13 GLU CA C 13 55.581 0.000 A 13 GLU CB C 13 31.777 0.000 A 13 GLU CG C 13 36.382 0.000 A 13 GLU N N 15 119.882 0.023 A 14 ASN H H 1 7.177 0.007 A 14 ASN HA H 1 4.870 0.005 A 14 ASN HBy H 1 2.669 0.004 A 14 ASN HBx H 1 2.445 0.004 A 14 ASN HD2x H 1 7.131 0.006 A 14 ASN HD2y H 1 7.640 0.008 A 14 ASN C C 13 175.256 0.000 A 14 ASN CA C 13 51.950 0.000 A 14 ASN CB C 13 43.446 0.000 A 14 ASN N N 15 114.565 0.012 A 14 ASN ND2 N 15 115.550 0.034 A 15 ASP H H 1 8.753 0.008 A 15 ASP HA H 1 4.512 0.004 A 15 ASP HBx H 1 2.704 0.002 A 15 ASP HBy H 1 2.704 0.002 A 15 ASP C C 13 175.848 0.000 A 15 ASP CA C 13 56.450 0.000 A 15 ASP CB C 13 40.659 0.000 A 15 ASP N N 15 120.622 0.037 A 16 ASN H H 1 8.124 0.010 A 16 ASN HA H 1 4.765 0.003 A 16 ASN HBy H 1 3.200 0.007 A 16 ASN HBx H 1 2.758 0.004 A 16 ASN HD2x H 1 6.040 0.006 A 16 ASN HD2y H 1 7.295 0.007 A 16 ASN C C 13 174.017 0.000 A 16 ASN CB C 13 37.418 0.018 A 16 ASN N N 15 115.197 0.005 A 16 ASN ND2 N 15 108.263 0.011 A 17 GLU H H 1 7.453 0.009 A 17 GLU HA H 1 4.849 0.003 A 17 GLU HBy H 1 2.330 0.002 A 17 GLU HBx H 1 2.241 0.001 A 17 GLU HGy H 1 2.326 0.004 A 17 GLU HGx H 1 2.025 0.007 A 17 GLU C C 13 174.638 0.000 A 17 GLU CA C 13 54.545 0.000 A 17 GLU CB C 13 31.708 0.000 A 17 GLU CG C 13 35.490 0.000 A 17 GLU N N 15 119.591 0.028 A 18 LEU H H 1 8.765 0.008 A 18 LEU HA H 1 4.355 0.003 A 18 LEU HBy H 1 1.678 0.003 A 18 LEU HBx H 1 0.623 0.003 A 18 LEU HDx% H 1 0.756 0.005 A 18 LEU HDy% H 1 0.594 0.004 A 18 LEU HG H 1 1.555 0.002 A 18 LEU C C 13 173.258 0.000 A 18 LEU CA C 13 53.448 0.000 A 18 LEU CB C 13 44.350 0.000 A 18 LEU CDx C 13 24.782 0.000 A 18 LEU CDy C 13 25.994 0.000 A 18 LEU CG C 13 26.234 0.000 A 18 LEU N N 15 126.694 0.010 A 19 ARG H H 1 8.023 0.008 A 19 ARG HA H 1 4.176 0.003 A 19 ARG HBy H 1 1.713 0.002 A 19 ARG HBx H 1 1.633 0.001 A 19 ARG HDy H 1 3.309 0.007 A 19 ARG HDx H 1 3.121 0.005 A 19 ARG HGy H 1 1.829 0.003 A 19 ARG HGx H 1 1.453 0.003 A 19 ARG C C 13 176.038 0.000 A 19 ARG CA C 13 57.119 0.000 A 19 ARG CB C 13 30.680 0.000 A 19 ARG CD C 13 43.169 0.000 A 19 ARG CG C 13 27.886 0.000 A 19 ARG N N 15 123.640 0.006 A 20 LEU H H 1 8.686 0.013 A 20 LEU HA H 1 4.926 0.002 A 20 LEU HBy H 1 2.164 0.003 A 20 LEU HBx H 1 1.408 0.006 A 20 LEU HDx% H 1 0.850 0.004 A 20 LEU HDy% H 1 0.934 0.007 A 20 LEU HG H 1 2.176 0.007 A 20 LEU C C 13 176.320 0.000 A 20 LEU CA C 13 53.589 0.000 A 20 LEU CB C 13 45.841 0.000 A 20 LEU CDy C 13 25.230 0.000 A 20 LEU CDx C 13 24.580 0.000 A 20 LEU CG C 13 25.720 0.000 A 20 LEU N N 15 122.047 0.021 A 21 ALA H H 1 8.747 0.009 A 21 ALA HA H 1 5.050 0.006 A 21 ALA HB% H 1 1.376 0.005 A 21 ALA C C 13 176.497 0.000 A 21 ALA CA C 13 49.736 0.000 A 21 ALA CB C 13 20.767 0.000 A 21 ALA N N 15 127.826 0.005 A 22 GLU H H 1 8.756 0.008 A 22 GLU HA H 1 3.191 0.003 A 22 GLU HBy H 1 1.839 0.001 A 22 GLU HBx H 1 1.748 0.004 A 22 GLU HGy H 1 2.082 0.007 A 22 GLU HGx H 1 1.903 0.003 A 22 GLU C C 13 177.095 0.000 A 22 GLU CA C 13 58.455 0.000 A 22 GLU CB C 13 29.440 0.000 A 22 GLU CG C 13 35.240 0.000 A 22 GLU N N 15 121.396 0.005 A 23 GLY H H 1 8.878 0.008 A 23 GLY HAy H 1 4.434 0.005 A 23 GLY HAx H 1 3.434 0.003 A 23 GLY C C 13 174.571 0.000 A 23 GLY CA C 13 44.776 0.000 A 23 GLY N N 15 115.237 0.010 A 24 ASP H H 1 8.655 0.009 A 24 ASP HA H 1 4.482 0.005 A 24 ASP HBy H 1 2.822 0.004 A 24 ASP HBx H 1 2.576 0.002 A 24 ASP C C 13 174.781 0.000 A 24 ASP CA C 13 55.493 0.000 A 24 ASP CB C 13 41.734 0.000 A 24 ASP N N 15 122.805 0.014 A 25 ILE H H 1 8.484 0.013 A 25 ILE HA H 1 4.909 0.007 A 25 ILE HB H 1 1.781 0.004 A 25 ILE HD1% H 1 0.775 0.004 A 25 ILE HG1y H 1 1.568 0.005 A 25 ILE HG1x H 1 1.329 0.004 A 25 ILE HG2% H 1 0.707 0.004 A 25 ILE C C 13 176.392 0.000 A 25 ILE CA C 13 58.935 0.000 A 25 ILE CB C 13 37.610 0.000 A 25 ILE CD1 C 13 11.425 0.033 A 25 ILE CG1 C 13 27.497 0.000 A 25 ILE CG2 C 13 17.581 0.000 A 25 ILE N N 15 120.912 0.030 A 26 VAL H H 1 8.840 0.010 A 26 VAL HA H 1 4.844 0.005 A 26 VAL HB H 1 2.063 0.004 A 26 VAL HGx% H 1 0.749 0.006 A 26 VAL HGy% H 1 0.522 0.017 A 26 VAL C C 13 173.455 0.000 A 26 VAL CA C 13 58.135 0.000 A 26 VAL CB C 13 35.470 0.000 A 26 VAL CGy C 13 22.726 0.000 A 26 VAL CGx C 13 18.261 0.000 A 26 VAL N N 15 118.766 0.015 A 27 PHE H H 1 8.961 0.007 A 27 PHE HA H 1 4.966 0.005 A 27 PHE HBy H 1 2.894 0.018 A 27 PHE HBx H 1 2.854 0.002 A 27 PHE HDx H 1 7.030 0.005 A 27 PHE HDy H 1 7.030 0.005 A 27 PHE HEx H 1 7.304 0.005 A 27 PHE HEy H 1 7.304 0.005 A 27 PHE HZ H 1 7.222 0.005 A 27 PHE C C 13 175.600 0.000 A 27 PHE CA C 13 56.697 0.000 A 27 PHE CB C 13 41.170 0.000 A 27 PHE CDx C 13 131.683 0.006 A 27 PHE CEx C 13 131.204 0.010 A 27 PHE CZ C 13 129.463 0.000 A 27 PHE N N 15 118.993 0.040 A 28 ILE H H 1 9.043 0.009 A 28 ILE HA H 1 4.370 0.007 A 28 ILE HB H 1 2.251 0.004 A 28 ILE HD1% H 1 0.499 0.003 A 28 ILE HG1y H 1 1.515 0.008 A 28 ILE HG1x H 1 1.232 0.006 A 28 ILE HG2% H 1 0.915 0.006 A 28 ILE C C 13 175.776 0.000 A 28 ILE CA C 13 58.549 0.000 A 28 ILE CB C 13 36.035 0.000 A 28 ILE CD1 C 13 10.848 0.000 A 28 ILE CG1 C 13 26.110 0.000 A 28 ILE CG2 C 13 18.261 0.000 A 28 ILE N N 15 124.714 0.009 A 29 SER H H 1 9.128 0.008 A 29 SER HA H 1 4.630 0.002 A 29 SER HBy H 1 3.857 0.003 A 29 SER HBx H 1 3.736 0.004 A 29 SER C C 13 175.353 0.000 A 29 SER CA C 13 59.396 0.000 A 29 SER CB C 13 63.616 0.012 A 29 SER N N 15 124.251 0.028 A 30 TYR H H 1 7.457 0.006 A 30 TYR HA H 1 4.848 0.009 A 30 TYR HBy H 1 3.187 0.005 A 30 TYR HBx H 1 2.952 0.005 A 30 TYR HDx H 1 6.918 0.004 A 30 TYR HDy H 1 6.918 0.004 A 30 TYR HEx H 1 6.805 0.008 A 30 TYR HEy H 1 6.805 0.008 A 30 TYR C C 13 172.582 0.000 A 30 TYR CA C 13 57.122 0.000 A 30 TYR CB C 13 40.260 0.012 A 30 TYR CDx C 13 133.700 0.001 A 30 TYR CEx C 13 117.902 0.014 A 30 TYR N N 15 114.956 0.021 A 31 LYS H H 1 8.697 0.010 A 31 LYS HA H 1 4.599 0.004 A 31 LYS HBy H 1 1.878 0.003 A 31 LYS HBx H 1 1.633 0.003 A 31 LYS HDx H 1 1.653 0.007 A 31 LYS HDy H 1 1.653 0.007 A 31 LYS HEx H 1 2.938 0.003 A 31 LYS HEy H 1 2.938 0.003 A 31 LYS HGy H 1 1.394 0.006 A 31 LYS HGx H 1 1.226 0.006 A 31 LYS C C 13 175.174 0.000 A 31 LYS CA C 13 55.747 0.032 A 31 LYS CB C 13 33.299 0.026 A 31 LYS CD C 13 29.504 0.000 A 31 LYS CE C 13 41.738 0.009 A 31 LYS CG C 13 25.063 0.012 A 31 LYS N N 15 122.237 0.031 A 32 HIS H H 1 8.122 0.009 A 32 HIS HA H 1 4.652 0.004 A 32 HIS HBy H 1 3.195 0.008 A 32 HIS HBx H 1 2.882 0.005 A 32 HIS HD2 H 1 6.979 0.009 A 32 HIS C C 13 175.918 0.000 A 32 HIS CA C 13 58.334 0.010 A 32 HIS CB C 13 32.782 0.010 A 32 HIS CD2 C 13 118.617 0.020 A 32 HIS N N 15 127.413 0.009 A 33 GLY H H 1 8.000 0.012 A 33 GLY HAy H 1 4.432 0.003 A 33 GLY HAx H 1 3.978 0.008 A 33 GLY C C 13 174.073 0.000 A 33 GLY CA C 13 43.784 0.055 A 33 GLY N N 15 105.5 0.022 A 34 GLN H H 1 9.025 0.008 A 34 GLN HA H 1 4.091 0.002 A 34 GLN HBx H 1 2.469 0.007 A 34 GLN HBy H 1 2.469 0.007 A 34 GLN HE2x H 1 6.862 0.009 A 34 GLN HE2y H 1 7.613 0.009 A 34 GLN HGx H 1 2.456 0.002 A 34 GLN HGy H 1 2.456 0.002 A 34 GLN C C 13 175.546 0.000 A 34 GLN CA C 13 56.938 0.056 A 34 GLN CB C 13 27.560 0.000 A 34 GLN CG C 13 34.629 0.000 A 34 GLN N N 15 114.228 0.016 A 34 GLN NE2 N 15 111.807 0.020 A 35 GLY H H 1 8.664 0.010 A 35 GLY HAy H 1 4.057 0.009 A 35 GLY HAx H 1 3.746 0.005 A 35 GLY C C 13 174.892 0.000 A 35 GLY CA C 13 45.610 0.025 A 35 GLY N N 15 104.0 0.012 A 36 TRP H H 1 7.938 0.007 A 36 TRP HA H 1 5.251 0.003 A 36 TRP HBy H 1 3.314 0.010 A 36 TRP HBx H 1 3.191 0.006 A 36 TRP HD1 H 1 7.294 0.008 A 36 TRP HE1 H 1 10.077 0.008 A 36 TRP HE3 H 1 7.316 0.005 A 36 TRP HH2 H 1 6.973 0.006 A 36 TRP HZ2 H 1 7.313 0.008 A 36 TRP HZ3 H 1 6.418 0.008 A 36 TRP C C 13 175.702 0.000 A 36 TRP CA C 13 56.599 0.007 A 36 TRP CB C 13 33.358 0.008 A 36 TRP CD1 C 13 128.805 0.010 A 36 TRP CE3 C 13 121.090 0.022 A 36 TRP CH2 C 13 123.360 0.000 A 36 TRP CZ2 C 13 114.904 0.026 A 36 TRP CZ3 C 13 120.005 0.000 A 36 TRP N N 15 120.355 0.034 A 36 TRP NE1 N 15 129.350 0.016 A 37 LEU H H 1 9.626 0.012 A 37 LEU HA H 1 4.967 0.006 A 37 LEU HBy H 1 1.741 0.008 A 37 LEU HBx H 1 1.541 0.009 A 37 LEU HDx% H 1 0.990 0.010 A 37 LEU HDy% H 1 0.847 0.007 A 37 LEU HG H 1 1.484 0.007 A 37 LEU C C 13 174.893 0.000 A 37 LEU CA C 13 52.939 0.001 A 37 LEU CB C 13 44.656 0.028 A 37 LEU CDx C 13 22.851 0.006 A 37 LEU CDy C 13 26.698 0.039 A 37 LEU CG C 13 27.020 0.000 A 37 LEU N N 15 121.736 0.016 A 38 VAL H H 1 8.593 0.010 A 38 VAL HA H 1 4.108 0.003 A 38 VAL HB H 1 1.304 0.006 A 38 VAL HGx% H 1 0.706 0.005 A 38 VAL HGy% H 1 0.483 0.005 A 38 VAL C C 13 173.905 0.000 A 38 VAL CA C 13 63.299 0.017 A 38 VAL CB C 13 31.762 0.012 A 38 VAL CGy C 13 22.699 0.031 A 38 VAL CGx C 13 21.390 0.017 A 38 VAL N N 15 120.248 0.010 A 39 ALA H H 1 9.080 0.006 A 39 ALA HA H 1 5.489 0.005 A 39 ALA HB% H 1 1.180 0.005 A 39 ALA C C 13 174.736 0.000 A 39 ALA CA C 13 49.698 0.001 A 39 ALA CB C 13 25.126 0.012 A 39 ALA N N 15 130.238 0.019 A 40 GLU H H 1 9.055 0.008 A 40 GLU HA H 1 5.370 0.005 A 40 GLU HBy H 1 2.259 0.003 A 40 GLU HBx H 1 2.115 0.003 A 40 GLU HGy H 1 2.601 0.003 A 40 GLU HGx H 1 2.361 0.003 A 40 GLU C C 13 176.343 0.000 A 40 GLU CA C 13 53.914 0.020 A 40 GLU CB C 13 34.438 0.038 A 40 GLU CG C 13 36.264 0.025 A 40 GLU N N 15 118.066 0.027 A 41 ASN H H 1 8.342 0.016 A 41 ASN HA H 1 4.820 0.001 A 41 ASN HBy H 1 3.597 0.004 A 41 ASN HBx H 1 2.953 0.004 A 41 ASN HD2x H 1 6.854 0.009 A 41 ASN HD2y H 1 7.769 0.012 A 41 ASN C C 13 175.581 0.000 A 41 ASN CA C 13 52.001 0.036 A 41 ASN CB C 13 37.767 0.020 A 41 ASN N N 15 118.721 0.015 A 41 ASN ND2 N 15 109.443 0.044 A 42 GLU H H 1 8.521 0.009 A 42 GLU HA H 1 3.950 0.001 A 42 GLU HBy H 1 2.307 0.003 A 42 GLU HBx H 1 2.095 0.002 A 42 GLU HGx H 1 2.307 0.006 A 42 GLU HGy H 1 2.307 0.006 A 42 GLU C C 13 177.658 0.000 A 42 GLU CA C 13 60.138 0.000 A 42 GLU CB C 13 29.508 0.016 A 42 GLU CG C 13 36.479 0.035 A 42 GLU N N 15 120.491 0.017 A 43 SER H H 1 8.029 0.007 A 43 SER HA H 1 4.376 0.002 A 43 SER HBy H 1 4.048 0.004 A 43 SER HBx H 1 3.900 0.002 A 43 SER C C 13 175.760 0.000 A 43 SER CA C 13 58.349 0.000 A 43 SER CB C 13 63.906 0.031 A 43 SER N N 15 109.172 0.011 A 44 GLY H H 1 8.002 0.009 A 44 GLY HAy H 1 4.088 0.003 A 44 GLY HAx H 1 3.805 0.001 A 44 GLY C C 13 174.289 0.000 A 44 GLY CA C 13 45.946 0.020 A 44 GLY N N 15 112.365 0.015 A 45 SER H H 1 8.529 0.007 A 45 SER HA H 1 4.387 0.001 A 45 SER HBy H 1 4.064 0.002 A 45 SER HBx H 1 3.813 0.000 A 45 SER C C 13 174.474 0.000 A 45 SER CA C 13 58.778 0.030 A 45 SER CB C 13 64.138 0.004 A 45 SER N N 15 116.280 0.005 A 46 LYS H H 1 7.879 0.011 A 46 LYS HA H 1 4.677 0.002 A 46 LYS HBy H 1 1.720 0.005 A 46 LYS HBx H 1 1.564 0.008 A 46 LYS HDx H 1 1.726 0.004 A 46 LYS HDy H 1 1.726 0.004 A 46 LYS HEx H 1 2.995 0.013 A 46 LYS HEy H 1 2.995 0.013 A 46 LYS HGy H 1 1.434 0.002 A 46 LYS HGx H 1 1.396 0.001 A 46 LYS C C 13 173.788 0.000 A 46 LYS CA C 13 55.921 0.028 A 46 LYS CB C 13 36.662 0.020 A 46 LYS CD C 13 28.981 0.036 A 46 LYS CE C 13 42.230 0.007 A 46 LYS CG C 13 25.437 0.025 A 46 LYS N N 15 122.336 0.017 A 47 THR H H 1 8.003 0.010 A 47 THR HA H 1 5.465 0.007 A 47 THR HB H 1 3.968 0.004 A 47 THR HG2% H 1 1.036 0.005 A 47 THR C C 13 173.478 0.000 A 47 THR CA C 13 59.703 0.003 A 47 THR CB C 13 71.505 0.027 A 47 THR CG2 C 13 21.032 0.027 A 47 THR N N 15 116.498 0.010 A 48 GLY H H 1 9.039 0.008 A 48 GLY HAx H 1 3.744 0.002 A 48 GLY HAy H 1 3.744 0.002 A 48 GLY C C 13 170.386 0.000 A 48 GLY CA C 13 45.377 0.015 A 48 GLY N N 15 110.609 0.011 A 49 LEU H H 1 9.169 0.009 A 49 LEU HA H 1 5.199 0.005 A 49 LEU HBy H 1 1.333 0.005 A 49 LEU HBx H 1 1.233 0.011 A 49 LEU HDx% H 1 0.000 0.004 A 49 LEU HDy% H 1 0.510 0.005 A 49 LEU HG H 1 1.346 0.009 A 49 LEU C C 13 177.929 0.000 A 49 LEU CA C 13 54.618 0.024 A 49 LEU CB C 13 44.044 0.014 A 49 LEU CDy C 13 25.229 0.052 A 49 LEU CDx C 13 23.755 0.033 A 49 LEU CG C 13 26.945 0.077 A 49 LEU N N 15 120.239 0.011 A 50 VAL H H 1 9.191 0.008 A 50 VAL HA H 1 4.840 0.005 A 50 VAL HB H 1 1.677 0.004 A 50 VAL HGx% H 1 1.072 0.007 A 50 VAL HGy% H 1 0.587 0.017 A 50 VAL C C 13 172.319 0.000 A 50 VAL CA C 13 57.190 0.031 A 50 VAL CB C 13 34.202 0.008 A 50 VAL CGx C 13 23.826 0.002 A 50 VAL CGy C 13 25.994 0.000 A 50 VAL N N 15 111.925 0.021 A 51 PRO HA H 1 4.113 0.006 A 51 PRO HBx H 1 1.422 0.006 A 51 PRO HBy H 1 1.422 0.006 A 51 PRO HDy H 1 2.047 0.003 A 51 PRO HDx H 1 2.005 0.009 A 51 PRO HGy H 1 0.267 0.007 A 51 PRO HGx H 1 -0.072 0.006 A 51 PRO C C 13 178.107 0.000 A 51 PRO CA C 13 61.036 0.027 A 51 PRO CB C 13 31.430 0.032 A 51 PRO CD C 13 49.532 0.017 A 51 PRO CG C 13 28.149 0.019 A 52 GLU H H 1 8.503 0.009 A 52 GLU HA H 1 3.756 0.004 A 52 GLU HBy H 1 1.832 0.005 A 52 GLU HBx H 1 1.682 0.004 A 52 GLU HGy H 1 2.220 0.005 A 52 GLU HGx H 1 2.124 0.009 A 52 GLU C C 13 177.586 0.000 A 52 GLU CA C 13 59.052 0.032 A 52 GLU CB C 13 30.213 0.021 A 52 GLU CG C 13 35.827 0.011 A 52 GLU N N 15 126.923 0.017 A 53 GLU H H 1 8.743 0.006 A 53 GLU HA H 1 4.335 0.001 A 53 GLU HBy H 1 2.227 0.005 A 53 GLU HBx H 1 1.993 0.004 A 53 GLU HGy H 1 2.448 0.004 A 53 GLU HGx H 1 2.277 0.005 A 53 GLU C C 13 175.950 0.000 A 53 GLU CA C 13 57.634 0.013 A 53 GLU CB C 13 29.815 0.011 A 53 GLU CG C 13 37.808 0.008 A 53 GLU N N 15 113.138 0.008 A 54 PHE H H 1 8.002 0.009 A 54 PHE HA H 1 4.787 0.005 A 54 PHE HBy H 1 3.291 0.013 A 54 PHE HBx H 1 3.169 0.003 A 54 PHE HDx H 1 7.151 0.005 A 54 PHE HDy H 1 7.151 0.005 A 54 PHE HEx H 1 7.369 0.007 A 54 PHE HEy H 1 7.369 0.007 A 54 PHE HZ H 1 7.218 0.003 A 54 PHE C C 13 174.773 0.000 A 54 PHE CB C 13 38.671 0.019 A 54 PHE CDy C 13 130.728 0.001 A 54 PHE CEy C 13 131.948 0.002 A 54 PHE CZ C 13 130.294 0.000 A 54 PHE N N 15 116.994 0.043 A 55 VAL H H 1 7.328 0.008 A 55 VAL HA H 1 5.410 0.004 A 55 VAL HB H 1 1.637 0.004 A 55 VAL HGx% H 1 0.441 0.011 A 55 VAL HGy% H 1 0.526 0.006 A 55 VAL C C 13 173.781 0.000 A 55 VAL CA C 13 57.922 0.004 A 55 VAL CB C 13 35.172 0.003 A 55 VAL CGx C 13 17.861 0.016 A 55 VAL CGy C 13 20.468 0.001 A 55 VAL N N 15 110.037 0.019 A 56 SER H H 1 8.512 0.010 A 56 SER HA H 1 4.711 0.008 A 56 SER HBx H 1 3.564 0.003 A 56 SER HBy H 1 3.564 0.003 A 56 SER C C 13 174.901 0.000 A 56 SER CA C 13 55.416 0.002 A 56 SER CB C 13 64.846 0.001 A 56 SER N N 15 113.247 0.016 A 57 TYR H H 1 8.560 0.006 A 57 TYR HA H 1 4.574 0.004 A 57 TYR HBy H 1 3.060 0.005 A 57 TYR HBx H 1 2.809 0.008 A 57 TYR HDx H 1 7.054 0.005 A 57 TYR HDy H 1 7.054 0.005 A 57 TYR HEx H 1 6.645 0.007 A 57 TYR HEy H 1 6.645 0.007 A 57 TYR C C 13 176.232 0.000 A 57 TYR CA C 13 59.240 0.015 A 57 TYR CB C 13 37.986 0.010 A 57 TYR CDx C 13 132.300 0.000 A 57 TYR CEx C 13 118.072 0.034 A 57 TYR N N 15 126.709 0.007 A 58 ILE H H 1 8.303 0.011 A 58 ILE HA H 1 4.243 0.003 A 58 ILE HB H 1 1.686 0.003 A 58 ILE HD1% H 1 0.754 0.005 A 58 ILE HG1y H 1 1.412 0.004 A 58 ILE HG1x H 1 0.993 0.005 A 58 ILE HG2% H 1 0.876 0.005 A 58 ILE C C 13 175.812 0.000 A 58 ILE CA C 13 60.630 0.007 A 58 ILE CB C 13 39.160 0.009 A 58 ILE CD1 C 13 13.191 0.006 A 58 ILE CG1 C 13 27.358 0.005 A 58 ILE CG2 C 13 17.598 0.005 A 58 ILE N N 15 122.059 0.006 A 59 GLN H H 1 8.653 0.007 A 59 GLN HA H 1 4.640 0.002 A 59 GLN HBy H 1 2.165 0.003 A 59 GLN HBx H 1 1.968 0.003 A 59 GLN HE2x H 1 6.882 0.008 A 59 GLN HE2y H 1 7.610 0.009 A 59 GLN HGx H 1 2.410 0.005 A 59 GLN HGy H 1 2.410 0.005 A 59 GLN C C 13 173.943 0.000 A 59 GLN CA C 13 53.671 0.041 A 59 GLN CB C 13 28.766 0.005 A 59 GLN CG C 13 33.520 0.001 A 59 GLN N N 15 126.168 0.021 A 59 GLN NE2 N 15 112.405 0.010 A 60 PRO HA H 1 4.420 0.003 A 60 PRO HBx H 1 1.932 0.005 A 60 PRO HBy H 1 2.318 0.008 A 60 PRO HDy H 1 3.823 0.004 A 60 PRO HDx H 1 3.754 0.005 A 60 PRO HGx H 1 2.050 0.005 A 60 PRO HGy H 1 2.050 0.005 A 60 PRO C C 13 176.909 0.000 A 60 PRO CA C 13 63.506 0.010 A 60 PRO CB C 13 32.218 0.007 A 60 PRO CD C 13 50.804 0.048 A 60 PRO CG C 13 27.432 0.008 A 61 GLU H H 1 8.696 0.008 A 61 GLU HA H 1 4.230 0.004 A 61 GLU HBy H 1 2.038 0.004 A 61 GLU HBx H 1 1.939 0.004 A 61 GLU HGy H 1 2.309 0.004 A 61 GLU HGx H 1 2.258 0.001 A 61 GLU C C 13 176.513 0.000 A 61 GLU CA C 13 56.756 0.003 A 61 GLU CB C 13 29.927 0.013 A 61 GLU CG C 13 36.299 0.000 A 61 GLU N N 15 120.482 0.005 A 62 LEU H H 1 8.161 0.008 A 62 LEU HA H 1 4.311 0.005 A 62 LEU HBy H 1 1.602 0.000 A 62 LEU HBx H 1 1.527 0.001 A 62 LEU HDx% H 1 0.906 0.001 A 62 LEU HDy% H 1 0.844 0.000 A 62 LEU HG H 1 1.579 0.008 A 62 LEU C C 13 177.273 0.000 A 62 LEU CA C 13 55.050 0.000 A 62 LEU CB C 13 42.397 0.006 A 62 LEU CDy C 13 24.983 0.007 A 62 LEU CDx C 13 23.346 0.000 A 62 LEU CG C 13 27.040 0.000 A 62 LEU N N 15 122.745 0.007 A 63 GLU H H 1 8.230 0.009 A 63 GLU HA H 1 4.170 0.001 A 63 GLU HBx H 1 1.891 0.005 A 63 GLU HBy H 1 1.891 0.005 A 63 GLU HGy H 1 2.201 0.001 A 63 GLU HGx H 1 2.119 0.002 A 63 GLU CA C 13 56.659 0.004 A 63 GLU CB C 13 30.313 0.017 A 63 GLU CG C 13 36.253 0.006 A 63 GLU N N 15 120.974 0.005 B -9 GLY H1 H 1 8.192 0.000 B -9 GLY HAx H 1 3.805 0.003 B -9 GLY HAy H 1 3.805 0.003 B -8 LYS H H 1 8.079 0.004 B -8 LYS HA H 1 4.118 0.002 B -8 LYS HBx H 1 1.434 0.013 B -8 LYS HBy H 1 1.434 0.013 B -8 LYS HDx H 1 1.501 0.000 B -8 LYS HDy H 1 1.501 0.000 B -8 LYS HEx H 1 2.851 0.001 B -8 LYS HEy H 1 2.851 0.001 B -8 LYS HGy H 1 1.124 0.000 B -8 LYS HGx H 1 1.030 0.000 B -7 PHE H H 1 8.251 0.000 B -7 PHE HA H 1 4.421 0.007 B -7 PHE HBy H 1 2.831 0.009 B -7 PHE HBx H 1 2.771 0.006 B -7 PHE HDx H 1 7.208 0.007 B -7 PHE HDy H 1 7.208 0.007 B -7 PHE HEx H 1 7.340 0.006 B -7 PHE HEy H 1 7.340 0.006 B -6 ILE H H 1 7.775 0.006 B -6 ILE HA H 1 4.215 0.004 B -6 ILE HB H 1 1.679 0.000 B -6 ILE HD1% H 1 0.795 0.000 B -6 ILE HG1y H 1 1.397 0.000 B -6 ILE HG1x H 1 1.088 0.000 B -6 ILE HG2% H 1 0.795 0.000 B -5 PRO HA H 1 3.759 0.010 B -5 PRO HBx H 1 1.095 0.013 B -5 PRO HBy H 1 1.607 0.012 B -5 PRO HDy H 1 3.335 0.010 B -5 PRO HDx H 1 3.001 0.012 B -5 PRO HGy H 1 1.839 0.012 B -5 PRO HGx H 1 1.178 0.012 B -4 SER H H 1 9.042 0.003 B -4 SER HA H 1 4.439 0.002 B -4 SER HBx H 1 3.866 0.012 B -4 SER HBy H 1 3.866 0.012 B -3 ARG H H 1 7.601 0.003 B -3 ARG HA H 1 4.998 0.002 B -3 ARG HBy H 1 2.006 0.000 B -3 ARG HBx H 1 1.933 0.000 B -3 ARG HDy H 1 3.353 0.005 B -3 ARG HDx H 1 3.030 0.006 B -3 ARG HE H 1 9.346 0.009 B -3 ARG HGy H 1 1.807 0.013 B -3 ARG HGx H 1 1.583 0.013 B -2 PRO HBx H 1 1.801 0.007 B -2 PRO HBy H 1 2.398 0.003 B -2 PRO HDy H 1 3.841 0.003 B -2 PRO HDx H 1 3.696 0.001 B -2 PRO HGy H 1 2.094 0.000 B -2 PRO HGx H 1 2.006 0.000 B -1 ALA H H 1 8.571 0.003 B -1 ALA HA H 1 3.604 0.004 B -1 ALA HB% H 1 0.202 0.007 B 0 PRO HA H 1 4.469 0.002 B 0 PRO HBx H 1 2.098 0.005 B 0 PRO HBy H 1 2.282 0.003 B 0 PRO HDy H 1 3.493 0.001 B 0 PRO HDx H 1 2.645 0.004 B 0 PRO HGy H 1 2.038 0.000 B 0 PRO HGx H 1 1.627 0.003 B 1 LYS H H 1 8.270 0.004 B 1 LYS HA H 1 4.547 0.005 B 1 LYS HDx H 1 1.663 0.003 B 1 LYS HDy H 1 1.663 0.003 B 1 LYS HEx H 1 3.004 0.000 B 1 LYS HEy H 1 3.004 0.000 B 2 PRO HA H 1 3.755 0.004 B 2 PRO HBx H 1 0.905 0.004 B 2 PRO HBy H 1 1.046 0.009 B 2 PRO HDy H 1 3.590 0.006 B 2 PRO HDx H 1 3.461 0.001 B 2 PRO HGy H 1 1.786 0.005 B 2 PRO HGx H 1 1.410 0.005 B 3 PRO HA H 1 4.318 0.001 B 3 PRO HBx H 1 1.833 0.000 B 3 PRO HBy H 1 2.190 0.000 B 3 PRO HDy H 1 3.058 0.011 B 3 PRO HDx H 1 2.094 0.007 B 3 PRO HGy H 1 1.944 0.012 B 3 PRO HGx H 1 1.735 0.016 B 4 SER H H 1 8.138 0.002 B 4 SER HA H 1 4.361 0.000 B 4 SER HBy H 1 3.880 0.000 B 4 SER HBx H 1 3.807 0.000 B 6 ALA H H 1 8.263 0.000 B 6 ALA HA H 1 4.301 0.000 B 6 ALA HB% H 1 1.388 0.000 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 -2 ILE HG2% A 1 ASN HBy 1.0 . 5.50 2 2 A -2 ILE HG2% A 1 ASN HBx 1.0 . 5.50 3 3 A 2 GLN HA A 2 GLN HGy 1.0 . 3.80 4 4 A 2 GLN HA A 2 GLN HGx 1.0 . 3.87 5 5 A 2 GLN HA A 3 ARG HGy 1.0 . 4.95 6 6 A 2 GLN HBy A 57 TYR HD% 1.0 . 4.98 7 7 A 2 GLN HGx A 4 ALA HB% 1.0 . 5.19 8 8 A 2 GLN HGx A 3 ARG HGy 1.0 . 5.04 9 9 A 2 GLN HGy A 3 ARG HGy 1.0 . 5.50 10 10 A 2 GLN HGx A 57 TYR HD% 1.0 . 4.99 11 11 A 3 ARG HA A 3 ARG HDx 1.0 . 4.58 12 11 A 3 ARG HA A 3 ARG HDy 1.0 . 4.58 13 12 A 3 ARG HGy A 3 ARG HA 1.0 . 4.21 14 13 A 3 ARG HA A 28 ILE HG1y 1.0 . 4.64 15 14 A 3 ARG HA A 3 ARG HGx 1.0 . 4.03 16 15 A 3 ARG HA A 25 ILE HG2% 1.0 . 4.74 17 16 A 3 ARG HBy A 27 PHE HA 1.0 . 5.15 18 17 A 27 PHE HA A 3 ARG HBx 1.0 . 4.97 19 18 A 25 ILE HG2% A 3 ARG HBy 1.0 . 4.33 20 19 A 3 ARG HBy A 58 ILE HD1% 1.0 . 4.87 21 20 A 25 ILE HG2% A 3 ARG HBx 1.0 . 4.99 22 21 A 3 ARG HBx A 58 ILE HD1% 1.0 . 5.46 23 22 A 4 ALA HB% A 3 ARG HBy 1.0 . 4.81 24 23 A 4 ALA HB% A 3 ARG HBx 1.0 . 5.50 25 24 A 3 ARG HBx A 58 ILE HG2% 1.0 . 5.50 26 25 A 3 ARG HGy A 58 ILE HB 1.0 . 4.22 27 26 A 3 ARG HGy A 58 ILE HG2% 1.0 . 4.50 28 27 A 3 ARG HGx A 58 ILE HG2% 1.0 . 5.04 29 28 A 3 ARG HGy A 4 ALA HA 1.0 . 4.94 30 29 A 3 ARG HGx A 27 PHE HD% 1.0 . 4.83 31 30 A 3 ARG HGy A 27 PHE HD% 1.0 . 4.79 32 31 A 27 PHE HD% A 3 ARG HDx 1.0 . 5.13 33 31 A 3 ARG HDy A 27 PHE HD% 1.0 . 5.13 34 32 A 3 ARG HBy A 3 ARG HDx 1.0 . 3.57 35 32 A 3 ARG HDy A 3 ARG HBy 1.0 . 3.57 36 33 A 58 ILE HB A 3 ARG HDx 1.0 . 3.94 37 33 A 3 ARG HDy A 58 ILE HB 1.0 . 3.94 38 34 A 3 ARG HBx A 3 ARG HDx 1.0 . 3.48 39 34 A 3 ARG HDy A 3 ARG HBx 1.0 . 3.48 40 35 A 58 ILE HG2% A 3 ARG HDx 1.0 . 4.30 41 35 A 3 ARG HDy A 58 ILE HG2% 1.0 . 4.30 42 36 A 58 ILE HD1% A 3 ARG HDx 1.0 . 3.84 43 36 A 3 ARG HDy A 58 ILE HD1% 1.0 . 3.84 44 37 A 4 ALA HB% A 26 VAL HGy% 1.0 . 3.04 45 38 A 4 ALA HB% A 57 TYR HE% 1.0 . 4.44 46 39 A 4 ALA HB% A 55 VAL HA 1.0 . 4.44 47 40 A 4 ALA HB% A 5 VAL H 1.0 . 5.12 48 41 A 4 ALA HB% A 3 ARG HA 1.0 . 4.53 49 42 A 4 ALA HB% A 26 VAL HA 1.0 . 5.50 50 43 A 4 ALA HB% A 57 TYR HBx 1.0 . 4.93 51 44 A 4 ALA HB% A 57 TYR HBy 1.0 . 5.04 52 45 A 4 ALA HB% A 28 ILE HB 1.0 . 4.74 53 46 A 4 ALA HB% A 5 VAL HB 1.0 . 5.11 54 47 A 4 ALA HB% A 3 ARG HGx 1.0 . 5.26 55 48 A 4 ALA HB% A 58 ILE HG1y 1.0 . 5.50 56 49 A 4 ALA HA A 57 TYR HA 1.0 . 3.19 57 50 A 4 ALA HA A 3 ARG H 1.0 . 5.48 58 51 A 3 ARG HGx A 4 ALA HA 1.0 . 4.30 59 52 A 4 ALA HA A 58 ILE HG1x 1.0 . 3.76 60 53 A 4 ALA HA A 26 VAL HGy% 1.0 . 4.73 61 54 A 58 ILE HD1% A 4 ALA HA 1.0 . 3.99 62 55 A 4 ALA HB% A 58 ILE HG1x 1.0 . 3.71 63 56 A 5 VAL HA A 5 VAL HGx% 1.0 . 3.73 64 57 A 4 ALA HA A 5 VAL HGx% 1.0 . 4.88 65 58 A 5 VAL HGx% A 6 ALA HA 1.0 . 5.08 66 59 A 5 VAL HGx% A 56 SER HBx 1.0 . 3.16 67 59 A 5 VAL HGx% A 56 SER HBy 1.0 . 3.16 68 60 A 58 ILE HG1y A 5 VAL HGx% 1.0 . 4.24 69 61 A 5 VAL HGx% A 7 LEU HG 1.0 . 4.25 70 62 A 5 VAL HGx% A 7 LEU HBx 1.0 . 5.10 71 63 A 5 VAL HGx% A 55 VAL HGx% 1.0 . 5.41 72 64 A 5 VAL HGy% A 25 ILE HA 1.0 . 4.19 73 65 A 5 VAL HGy% A 24 ASP HA 1.0 . 5.50 74 66 A 5 VAL HGy% A 56 SER HBx 1.0 . 4.54 75 66 A 56 SER HBy A 5 VAL HGy% 1.0 . 4.54 76 67 A 5 VAL HGy% A 23 GLY HAy 1.0 . 3.53 77 68 A 5 VAL HGy% A 6 ALA HB% 1.0 . 3.93 78 69 A 5 VAL HGy% A 25 ILE HG1x 1.0 . 5.04 79 70 A 58 ILE HG1y A 5 VAL HGy% 1.0 . 4.40 80 71 A 5 VAL HGy% A 25 ILE HG1y 1.0 . 4.11 81 72 A 7 LEU HG A 5 VAL HGy% 1.0 . 5.16 82 73 A 5 VAL HGy% A 7 LEU HDy% 1.0 . 3.97 83 74 A 5 VAL HB A 25 ILE HG1y 1.0 . 5.50 84 75 A 4 ALA HA A 5 VAL HB 1.0 . 4.88 85 76 A 5 VAL HB A 25 ILE HA 1.0 . 5.38 86 77 A 5 VAL HB A 58 ILE HG1x 1.0 . 4.32 87 78 A 5 VAL HB A 7 LEU HDy% 1.0 . 4.90 88 79 A 5 VAL HA A 25 ILE HA 1.0 . 3.23 89 80 A 5 VAL HA A 6 ALA HB% 1.0 . 4.19 90 81 A 5 VAL HA A 25 ILE HG1y 1.0 . 4.70 91 82 A 5 VAL HA A 5 VAL HGy% 1.0 . 3.13 92 83 A 26 VAL HGy% A 5 VAL HA 1.0 . 4.42 93 84 A 58 ILE HD1% A 5 VAL HA 1.0 . 4.14 94 85 A 6 ALA HA A 20 LEU HDx% 1.0 . 5.08 95 86 A 6 ALA HB% A 22 GLU HGy 1.0 . 4.75 96 87 A 6 ALA HB% A 20 LEU HG 1.0 . 4.42 97 88 A 6 ALA HB% A 24 ASP HBx 1.0 . 3.94 98 89 A 6 ALA HB% A 24 ASP HBy 1.0 . 3.94 99 90 A 6 ALA HB% A 21 ALA HB% 1.0 . 3.92 100 91 A 6 ALA HB% A 20 LEU HDx% 1.0 . 3.40 101 92 A 6 ALA HB% A 20 LEU HDy% 1.0 . 3.40 102 93 A 7 LEU HG A 6 ALA HB% 1.0 . 4.97 103 94 A 26 VAL HGy% A 6 ALA HB% 1.0 . 3.94 104 95 A 55 VAL HGx% A 6 ALA HB% 1.0 . 4.12 105 96 A 6 ALA HB% A 26 VAL HGx% 1.0 . 3.97 106 97 A 6 ALA HB% A 9 ASP HA 1.0 . 4.42 107 98 A 24 ASP HA A 6 ALA HB% 1.0 . 4.38 108 99 A 6 ALA HB% A 20 LEU HA 1.0 . 4.39 109 100 A 6 ALA HB% A 8 TYR HA 1.0 . 4.81 110 101 A 55 VAL HA A 6 ALA HB% 1.0 . 4.49 111 102 A 7 LEU HA A 22 GLU HGx 1.0 . 4.78 112 103 A 7 LEU HG A 7 LEU HA 1.0 . 4.05 113 104 A 5 VAL HGx% A 7 LEU HA 1.0 . 4.47 114 105 A 5 VAL HGy% A 7 LEU HA 1.0 . 4.95 115 106 A 7 LEU HBy A 54 PHE HA 1.0 . 4.83 116 107 A 7 LEU HBx A 8 TYR HA 1.0 . 5.50 117 108 A 7 LEU HBx A 54 PHE HA 1.0 . 5.50 118 109 A 7 LEU HDy% A 7 LEU HBy 1.0 . 3.29 119 110 A 5 VAL HGx% A 7 LEU HDy% 1.0 . 3.10 120 111 A 7 LEU HBx A 7 LEU HDy% 1.0 . 3.22 121 112 A 7 LEU HDy% A 56 SER HBx 1.0 . 2.95 122 112 A 56 SER HBy A 7 LEU HDy% 1.0 . 2.95 123 113 A 7 LEU HDy% A 7 LEU HA 1.0 . 2.79 124 114 A 6 ALA HA A 7 LEU HDy% 1.0 . 4.76 125 115 A 7 LEU HDy% A 8 TYR HE% 1.0 . 4.80 126 116 A 6 ALA HA A 7 LEU HG 1.0 . 4.78 127 117 A 7 LEU HBy A 7 LEU HDx% 1.0 . 3.18 128 118 A 5 VAL HGx% A 7 LEU HDx% 1.0 . 4.10 129 119 A 54 PHE HA A 7 LEU HDx% 1.0 . 4.29 130 120 A 7 LEU HDx% A 56 SER HA 1.0 . 4.15 131 121 A 7 LEU HA A 7 LEU HDx% 1.0 . 4.10 132 122 A 7 LEU HDx% A 56 SER HBx 1.0 . 3.09 133 122 A 56 SER HBy A 7 LEU HDx% 1.0 . 3.09 134 123 A 7 LEU HDx% B 2 PRO HBy 1.0 . 4.86 135 124 A 7 LEU HBx A 7 LEU HDx% 1.0 . 3.26 136 125 A 8 TYR HBx B 3 PRO HGx 1.0 . 5.06 137 126 B 3 PRO HGx A 8 TYR HBy 1.0 . 5.50 138 127 A 9 ASP HA A 21 ALA HA 1.0 . 3.21 139 128 A 21 ALA HB% A 9 ASP HA 1.0 . 3.94 140 129 A 10 PHE HBy A 20 LEU HBx 1.0 . 4.88 141 130 A 20 LEU HBx A 10 PHE HBx 1.0 . 3.89 142 131 A 10 PHE HBy A 20 LEU HBy 1.0 . 4.75 143 132 A 10 PHE HBy A 51 PRO HBx 1.0 . 5.22 144 132 A 10 PHE HBy A 51 PRO HBy 1.0 . 5.22 145 133 A 20 LEU HBx A 10 PHE HA 1.0 . 5.50 146 134 A 11 GLU HA A 12 PRO HDy 1.0 . 3.35 147 135 A 12 PRO HDy A 11 GLU HBx 1.0 . 3.84 148 135 A 12 PRO HDy A 11 GLU HBy 1.0 . 3.84 149 136 A 12 PRO HDy A 19 ARG HGy 1.0 . 4.56 150 137 A 12 PRO HDy A 19 ARG HGx 1.0 . 4.56 151 138 A 12 PRO HDy A 11 GLU HGx 1.0 . 4.70 152 139 A 12 PRO HDy A 11 GLU HGy 1.0 . 4.70 153 140 A 12 PRO HDx A 19 ARG HGx 1.0 . 4.53 154 141 A 12 PRO HGy A 13 GLU HA 1.0 . 5.49 155 142 A 12 PRO HGy A 18 LEU HA 1.0 . 5.50 156 143 A 11 GLU HA A 12 PRO HGx 1.0 . 4.54 157 144 A 18 LEU HA A 12 PRO HGx 1.0 . 5.11 158 145 A 10 PHE HE% A 12 PRO HBx 1.0 . 5.28 159 146 A 61 GLU HA A 60 PRO HGx 1.0 . 4.72 160 146 A 60 PRO HGy A 61 GLU HA 1.0 . 4.72 161 147 A 12 PRO HGx A 19 ARG HA 1.0 . 4.03 162 148 A 12 PRO HDy A 19 ARG HBx 1.0 . 4.18 163 149 A 12 PRO HGx A 17 GLU HBx 1.0 . 5.00 164 150 A 25 ILE HG1x A 42 GLU HGx 1.0 . 5.23 165 150 A 25 ILE HG1x A 42 GLU HGy 1.0 . 5.23 166 151 A 12 PRO HBx A 17 GLU HBx 1.0 . 3.54 167 152 A 17 GLU HBx A 12 PRO HBy 1.0 . 3.26 168 153 A 17 GLU HBx A 12 PRO HA 1.0 . 3.85 169 154 A 2 GLN HBy A -1 VAL HA 1.0 . 5.50 170 155 A 11 GLU HA A 19 ARG HA 1.0 . 4.02 171 156 A 11 GLU HA A 12 PRO HGy 1.0 . 4.49 172 157 A 13 GLU HA A 13 GLU HGy 1.0 . 3.85 173 158 A 13 GLU HA A 13 GLU HGx 1.0 . 3.85 174 159 A 15 ASP HA A 15 ASP HBx 1.0 . 2.91 175 159 A 15 ASP HA A 15 ASP HBy 1.0 . 2.91 176 160 A 16 ASN HD2x A 17 GLU HGy 1.0 . 4.99 177 161 A 16 ASN HD2x A 17 GLU HGx 1.0 . 4.99 178 162 A 10 PHE HE% A 17 GLU HBy 1.0 . 4.94 179 163 A 17 GLU HA A 49 LEU HBx 1.0 . 4.59 180 164 A 17 GLU HA A 49 LEU HG 1.0 . 4.92 181 165 A 17 GLU HA A 49 LEU HBy 1.0 . 3.99 182 166 A 12 PRO HBx A 17 GLU HBy 1.0 . 4.20 183 167 A 12 PRO HA A 17 GLU HBy 1.0 . 4.54 184 168 A 18 LEU HA A 48 GLY HAx 1.0 . 4.55 185 168 A 18 LEU HA A 48 GLY HAy 1.0 . 4.55 186 169 A 18 LEU HA A 18 LEU HG 1.0 . 3.79 187 170 A 46 LYS HGx A 18 LEU HDx% 1.0 . 4.32 188 171 A 46 LYS HGy A 18 LEU HDx% 1.0 . 4.62 189 172 A 46 LYS HEy A 18 LEU HDx% 1.0 . 5.03 190 172 A 18 LEU HDx% A 46 LYS HEx 1.0 . 5.03 191 173 A 48 GLY HAy A 18 LEU HDx% 1.0 . 4.29 192 173 A 18 LEU HDx% A 48 GLY HAx 1.0 . 4.29 193 174 A 18 LEU HA A 18 LEU HDx% 1.0 . 3.95 194 175 A 47 THR HA A 18 LEU HDx% 1.0 . 4.23 195 176 A 40 GLU HA A 18 LEU HDx% 1.0 . 4.42 196 177 A 41 ASN HA A 18 LEU HDx% 1.0 . 5.10 197 178 A 47 THR HA A 18 LEU HDy% 1.0 . 4.23 198 179 A 40 GLU HA A 18 LEU HDy% 1.0 . 4.42 199 180 A 50 VAL HA A 50 VAL HGy% 1.0 . 4.10 200 181 A 18 LEU HA A 18 LEU HDy% 1.0 . 3.95 201 182 A 46 LYS HEy A 18 LEU HDy% 1.0 . 5.03 202 182 A 18 LEU HDy% A 46 LYS HEx 1.0 . 5.03 203 183 A 20 LEU HG A 50 VAL HGy% 1.0 . 5.19 204 184 A 51 PRO HDy A 50 VAL HGy% 1.0 . 4.81 205 185 A 46 LYS HGx A 18 LEU HDy% 1.0 . 4.32 206 186 A 46 LYS HGy A 18 LEU HDy% 1.0 . 4.62 207 187 A 39 ALA HB% A 18 LEU HBx 1.0 . 5.50 208 188 A 49 LEU HBy A 18 LEU HBx 1.0 . 5.50 209 189 A 39 ALA HB% A 18 LEU HBy 1.0 . 5.50 210 190 A 49 LEU HBy A 18 LEU HBy 1.0 . 5.50 211 191 A 12 PRO HDx A 19 ARG HA 1.0 . 3.49 212 192 A 12 PRO HDy A 19 ARG HA 1.0 . 3.78 213 193 A 19 ARG HA A 19 ARG HDy 1.0 . 4.95 214 194 A 19 ARG HA A 19 ARG HGx 1.0 . 4.04 215 195 A 19 ARG HA A 19 ARG HGy 1.0 . 4.04 216 196 A 12 PRO HGy A 19 ARG HA 1.0 . 5.01 217 197 A 37 LEU HG A 52 GLU HBx 1.0 . 3.94 218 198 A 12 PRO HDy A 19 ARG HBy 1.0 . 5.06 219 199 A 12 PRO HDx A 19 ARG HBy 1.0 . 4.56 220 200 A 12 PRO HGx A 19 ARG HGx 1.0 . 3.71 221 201 A 12 PRO HGx A 19 ARG HGy 1.0 . 3.71 222 202 A 12 PRO HDx A 19 ARG HGy 1.0 . 4.53 223 203 A 12 PRO HDy A 19 ARG HDx 1.0 . 5.10 224 204 A 12 PRO HDx A 19 ARG HDx 1.0 . 5.18 225 205 A 12 PRO HDx A 19 ARG HDy 1.0 . 5.18 226 206 A 12 PRO HDy A 19 ARG HDy 1.0 . 5.10 227 207 A 19 ARG HA A 19 ARG HDx 1.0 . 4.95 228 208 A 12 PRO HGx A 19 ARG HDx 1.0 . 4.59 229 209 A 12 PRO HGx A 19 ARG HDy 1.0 . 4.59 230 210 A 19 ARG HBx A 19 ARG HDx 1.0 . 3.90 231 211 A 19 ARG HBx A 19 ARG HDy 1.0 . 3.90 232 212 A 19 ARG HA A 10 PHE HD% 1.0 . 4.90 233 213 A 20 LEU HG A 20 LEU HA 1.0 . 4.11 234 214 A 20 LEU HA A 19 ARG HBy 1.0 . 4.95 235 215 A 20 LEU HA A 20 LEU HDx% 1.0 . 3.98 236 216 A 10 PHE HBx A 20 LEU HBy 1.0 . 4.18 237 217 A 20 LEU HBy A 54 PHE HBx 1.0 . 5.50 238 218 A 20 LEU HBx A 54 PHE HBx 1.0 . 5.32 239 219 A 6 ALA HB% A 20 LEU HBy 1.0 . 4.76 240 220 A 6 ALA HB% A 20 LEU HBx 1.0 . 4.02 241 221 A 20 LEU HBx A 20 LEU HDy% 1.0 . 3.99 242 222 A 20 LEU HG A 51 PRO HDy 1.0 . 5.46 243 223 A 39 ALA HB% A 20 LEU HDx% 1.0 . 4.73 244 224 A 20 LEU HBy A 20 LEU HDx% 1.0 . 3.58 245 225 A 20 LEU HBx A 20 LEU HDx% 1.0 . 3.99 246 226 A 26 VAL HGx% A 20 LEU HDy% 1.0 . 3.57 247 227 A 26 VAL HGx% A 20 LEU HDx% 1.0 . 3.57 248 228 A 39 ALA HB% A 20 LEU HDy% 1.0 . 4.73 249 229 A 20 LEU HBy A 20 LEU HDy% 1.0 . 3.58 250 230 A 62 LEU HDx% A 60 PRO HGx 1.0 . 5.21 251 230 A 60 PRO HGy A 62 LEU HDx% 1.0 . 5.21 252 231 A 6 ALA HA A 20 LEU HDy% 1.0 . 5.08 253 232 A 20 LEU HA A 20 LEU HDy% 1.0 . 3.98 254 233 A 20 LEU HG A 50 VAL HGx% 1.0 . 5.19 255 234 A 20 LEU HG A 10 PHE HBx 1.0 . 5.39 256 235 A 20 LEU HG A 10 PHE HD% 1.0 . 5.50 257 236 A 20 LEU HBx A 54 PHE HE% 1.0 . 5.50 258 237 A 21 ALA HA A 20 LEU HBx 1.0 . 5.06 259 238 A 21 ALA HA A 9 ASP HBy 1.0 . 4.82 260 239 A 21 ALA HA A 9 ASP HBx 1.0 . 4.82 261 240 A 21 ALA HA A 22 GLU HA 1.0 . 5.08 262 241 A 21 ALA HB% A 9 ASP HBy 1.0 . 5.50 263 242 A 21 ALA HB% A 24 ASP HBy 1.0 . 5.50 264 243 A 7 LEU HA A 22 GLU HA 1.0 . 5.12 265 244 A 6 ALA HA A 22 GLU HA 1.0 . 4.95 266 245 A 9 ASP HA A 22 GLU HA 1.0 . 5.26 267 246 A 8 TYR HA A 22 GLU HA 1.0 . 4.75 268 247 A 22 GLU HGx A 22 GLU HA 1.0 . 3.57 269 248 A 22 GLU HGy A 22 GLU HA 1.0 . 3.59 270 249 A 6 ALA HB% A 22 GLU HA 1.0 . 3.37 271 250 A 21 ALA HB% A 22 GLU HA 1.0 . 4.58 272 251 A 5 VAL HGy% A 22 GLU HA 1.0 . 5.08 273 252 A 8 TYR HA A 22 GLU HBx 1.0 . 4.61 274 253 A 8 TYR HA A 22 GLU HBy 1.0 . 4.70 275 254 A 22 GLU HGy A 7 LEU HA 1.0 . 4.89 276 255 A 22 GLU HGy A 8 TYR HA 1.0 . 4.82 277 256 A 8 TYR HA A 22 GLU HGx 1.0 . 4.42 278 257 A 6 ALA HB% A 22 GLU HBy 1.0 . 4.55 279 258 A 23 GLY HAy A 22 GLU HA 1.0 . 4.70 280 259 A 22 GLU HA A 23 GLY HAx 1.0 . 4.74 281 260 A 5 VAL HGy% A 23 GLY HAx 1.0 . 4.71 282 261 A 22 GLU HGy A 23 GLY HAx 1.0 . 5.27 283 262 A 23 GLY HAy A 22 GLU HGy 1.0 . 5.15 284 263 A 24 ASP HA A 25 ILE HG1x 1.0 . 4.90 285 264 A 24 ASP HA A 25 ILE HD1% 1.0 . 5.50 286 265 A 24 ASP HA A 26 VAL HGx% 1.0 . 5.50 287 266 A 21 ALA HB% A 9 ASP HBx 1.0 . 5.50 288 267 A 21 ALA HB% A 24 ASP HBx 1.0 . 5.50 289 268 A 26 VAL HGx% A 24 ASP HBy 1.0 . 4.69 290 269 A 25 ILE HA A 6 ALA HB% 1.0 . 4.81 291 270 A 25 ILE HA A 25 ILE HG1y 1.0 . 3.95 292 271 A 25 ILE HA A 25 ILE HD1% 1.0 . 3.37 293 272 A 25 ILE HB A 42 GLU HGx 1.0 . 3.89 294 272 A 42 GLU HGy A 25 ILE HB 1.0 . 3.89 295 273 A 25 ILE HA A 25 ILE HG1x 1.0 . 4.23 296 274 A 25 ILE HG2% A 25 ILE HG1y 1.0 . 3.47 297 275 A 25 ILE HG2% A 25 ILE HG1x 1.0 . 3.30 298 276 A 25 ILE HG2% A 42 GLU HGx 1.0 . 3.77 299 276 A 25 ILE HG2% A 42 GLU HGy 1.0 . 3.77 300 277 A 25 ILE HG2% A 3 ARG HDx 1.0 . 4.43 301 277 A 3 ARG HDy A 25 ILE HG2% 1.0 . 4.43 302 278 A 25 ILE HG2% A 25 ILE HA 1.0 . 3.26 303 279 A 25 ILE HG2% A 5 VAL HA 1.0 . 4.41 304 280 A 25 ILE HD1% A 25 ILE HB 1.0 . 3.23 305 281 A 25 ILE HD1% A 42 GLU HGx 1.0 . 4.66 306 281 A 42 GLU HGy A 25 ILE HD1% 1.0 . 4.66 307 282 A 25 ILE HD1% A 3 ARG HDx 1.0 . 4.80 308 282 A 3 ARG HDy A 25 ILE HD1% 1.0 . 4.80 309 283 A 5 VAL HA A 25 ILE HD1% 1.0 . 3.91 310 284 A 25 ILE HD1% A 26 VAL H 1.0 . 4.89 311 285 A 25 ILE HG2% A 25 ILE HD1% 1.0 . 2.40 312 286 A 26 VAL HGx% A 50 VAL HB 1.0 . 4.88 313 287 A 26 VAL HGx% A 24 ASP HBx 1.0 . 4.69 314 288 A 26 VAL HGx% A 41 ASN HBy 1.0 . 4.48 315 289 A 26 VAL HA A 26 VAL HGx% 1.0 . 3.08 316 290 A 26 VAL HGx% A 41 ASN HA 1.0 . 3.31 317 291 A 26 VAL HGx% A 26 VAL H 1.0 . 4.73 318 292 A 26 VAL HGy% A 39 ALA HB% 1.0 . 3.39 319 293 A 26 VAL HGy% A 25 ILE HG1y 1.0 . 5.50 320 294 A 26 VAL HGy% A 20 LEU HBy 1.0 . 5.50 321 295 A 28 ILE HG1y A 26 VAL HGy% 1.0 . 4.26 322 296 A 26 VAL HGy% A 55 VAL HB 1.0 . 4.73 323 297 A 26 VAL HGy% A 26 VAL HA 1.0 . 3.69 324 298 A 26 VAL HGy% A 25 ILE HA 1.0 . 4.40 325 299 A 37 LEU HBx A 38 VAL HGy% 1.0 . 5.27 326 300 A 26 VAL HGx% A 20 LEU HBy 1.0 . 5.36 327 301 A 26 VAL HGx% A 20 LEU HA 1.0 . 4.54 328 302 A 3 ARG HA A 27 PHE HA 1.0 . 3.35 329 303 A 26 VAL HB A 27 PHE HBy 1.0 . 5.30 330 304 A 26 VAL HB A 28 ILE HA 1.0 . 5.50 331 305 A 28 ILE HG2% A 28 ILE HD1% 1.0 . 3.02 332 306 A 28 ILE HG2% A 28 ILE HG1x 1.0 . 3.36 333 307 A 37 LEU HBx A 28 ILE HG2% 1.0 . 3.21 334 308 A 28 ILE HA A 28 ILE HG2% 1.0 . 3.32 335 309 A 28 ILE HG2% A 31 LYS HA 1.0 . 4.26 336 310 A 28 ILE HG2% A 30 TYR HA 1.0 . 4.67 337 311 A 28 ILE HG2% A 37 LEU HA 1.0 . 4.36 338 312 A 28 ILE HG2% A 38 VAL HA 1.0 . 5.00 339 313 A 28 ILE HG2% A 29 SER HBy 1.0 . 5.15 340 314 A 28 ILE HG2% A 30 TYR HBy 1.0 . 5.43 341 315 A 57 TYR HE% A 28 ILE HB 1.0 . 4.37 342 316 A 28 ILE HG1y A 28 ILE HG2% 1.0 . 4.07 343 317 A 28 ILE HD1% A 37 LEU HBy 1.0 . 3.98 344 318 A 26 VAL HB A 28 ILE HD1% 1.0 . 4.31 345 319 A 28 ILE HB A 28 ILE HD1% 1.0 . 3.92 346 320 A 28 ILE HA A 28 ILE HD1% 1.0 . 3.20 347 321 A 27 PHE HA A 28 ILE HD1% 1.0 . 4.59 348 322 A 28 ILE HD1% A 39 ALA HA 1.0 . 3.80 349 323 A 57 TYR HE% A 28 ILE HD1% 1.0 . 4.49 350 324 A 26 VAL HGx% A 28 ILE HD1% 1.0 . 4.38 351 325 A 4 ALA HB% A 28 ILE HD1% 1.0 . 2.91 352 326 A 55 VAL HB A 28 ILE HD1% 1.0 . 3.98 353 327 A 4 ALA HB% A 28 ILE HG1x 1.0 . 3.69 354 328 A 4 ALA HB% A 28 ILE HG1y 1.0 . 3.82 355 329 A 28 ILE HG2% A 37 LEU HBy 1.0 . 3.63 356 330 A 28 ILE HG2% A 2 GLN HBx 1.0 . 4.63 357 331 A 28 ILE HG2% A 31 LYS HBy 1.0 . 4.87 358 332 A 29 SER HBy A 38 VAL HB 1.0 . 4.71 359 333 A 38 VAL HB A 29 SER HBx 1.0 . 4.66 360 334 A -2 ILE HG2% A 29 SER HBy 1.0 . 5.04 361 335 A -2 ILE HG2% A 29 SER HBx 1.0 . 5.48 362 336 A 38 VAL HGy% A 29 SER HBy 1.0 . 5.09 363 337 A 30 TYR HBy A 38 VAL HB 1.0 . 5.44 364 338 A 38 VAL HGy% A 30 TYR HBy 1.0 . 5.50 365 339 A 38 VAL HB A 30 TYR HBx 1.0 . 5.15 366 340 A 38 VAL HGy% A 30 TYR HBx 1.0 . 5.50 367 341 A -2 ILE HG2% A 30 TYR HBy 1.0 . 5.50 368 342 A 31 LYS HA A 31 LYS HGx 1.0 . 3.96 369 343 A 31 LYS HA A 37 LEU HDx% 1.0 . 4.11 370 344 A 30 TYR HBy A 31 LYS HBx 1.0 . 5.47 371 345 A 31 LYS HBx A 31 LYS HEx 1.0 . 5.50 372 345 A 31 LYS HBx A 31 LYS HEy 1.0 . 5.50 373 346 A 31 LYS HBx A 37 LEU HDy% 1.0 . 4.24 374 347 A 28 ILE HG2% A 31 LYS HBx 1.0 . 5.50 375 348 A 37 LEU HDx% A 31 LYS HBx 1.0 . 5.50 376 349 A 31 LYS HGx A 37 LEU HDy% 1.0 . 3.70 377 350 A 31 LYS HGx A 37 LEU HDx% 1.0 . 4.66 378 351 A 37 LEU HDx% A 31 LYS HGy 1.0 . 5.38 379 352 A 31 LYS HGy A 32 HIS HA 1.0 . 5.09 380 353 A 31 LYS HA A 31 LYS HDx 1.0 . 4.59 381 353 A 31 LYS HA A 31 LYS HDy 1.0 . 4.59 382 354 A 31 LYS HBy A 31 LYS HDx 1.0 . 3.51 383 354 A 31 LYS HBy A 31 LYS HDy 1.0 . 3.51 384 355 A 37 LEU HDx% A 31 LYS HDx 1.0 . 4.12 385 355 A 37 LEU HDx% A 31 LYS HDy 1.0 . 4.12 386 356 A 31 LYS HDy A 31 LYS HEx 1.0 . 2.87 387 356 A 31 LYS HDx A 31 LYS HEx 1.0 . 2.87 388 356 A 31 LYS HEy A 31 LYS HDx 1.0 . 2.87 389 356 A 31 LYS HEy A 31 LYS HDy 1.0 . 2.87 390 357 A 31 LYS HBy A 31 LYS HEx 1.0 . 4.12 391 357 A 31 LYS HBy A 31 LYS HEy 1.0 . 4.12 392 358 A 31 LYS HGx A 31 LYS HEx 1.0 . 3.45 393 358 A 31 LYS HGx A 31 LYS HEy 1.0 . 3.45 394 359 A 31 LYS HGy A 31 LYS HEx 1.0 . 3.50 395 359 A 31 LYS HEy A 31 LYS HGy 1.0 . 3.50 396 360 A 37 LEU HDy% A 31 LYS HEx 1.0 . 3.95 397 360 A 31 LYS HEy A 37 LEU HDy% 1.0 . 3.95 398 361 A 37 LEU HDx% A 31 LYS HEx 1.0 . 4.88 399 361 A 37 LEU HDx% A 31 LYS HEy 1.0 . 4.88 400 362 A 31 LYS HA A 31 LYS HEx 1.0 . 5.02 401 362 A 31 LYS HA A 31 LYS HEy 1.0 . 5.02 402 363 A 32 HIS HA A 30 TYR HE% 1.0 . 4.40 403 364 A 30 TYR HD% A 32 HIS HBy 1.0 . 4.96 404 365 A 33 GLY HAx A 31 LYS HEx 1.0 . 5.50 405 365 A 31 LYS HEy A 33 GLY HAx 1.0 . 5.50 406 366 A 33 GLY HAy A 31 LYS HEx 1.0 . 4.70 407 366 A 31 LYS HEy A 33 GLY HAy 1.0 . 4.70 408 367 A 33 GLY HAy A 34 GLN HBx 1.0 . 5.50 409 367 A 33 GLY HAy A 34 GLN HBy 1.0 . 5.50 410 368 A 33 GLY HAy A 34 GLN HGx 1.0 . 5.50 411 368 A 33 GLY HAy A 34 GLN HGy 1.0 . 5.50 412 369 A 34 GLN HA A 34 GLN HBx 1.0 . 2.85 413 369 A 34 GLN HBy A 34 GLN HA 1.0 . 2.85 414 370 A 34 GLN HA A 34 GLN HGx 1.0 . 3.24 415 370 A 34 GLN HGy A 34 GLN HA 1.0 . 3.24 416 371 A 33 GLY HAx A 34 GLN HGx 1.0 . 4.72 417 371 A 33 GLY HAx A 34 GLN HGy 1.0 . 4.72 418 372 A 36 TRP HD1 A 34 GLN HGx 1.0 . 4.09 419 372 A 34 GLN HGy A 36 TRP HD1 1.0 . 4.09 420 373 A 35 GLY HAy A 52 GLU HBy 1.0 . 4.95 421 374 A 35 GLY HAy A 52 GLU HBx 1.0 . 4.95 422 375 A 31 LYS HGx A 35 GLY HAy 1.0 . 5.36 423 376 A 35 GLY HAy B -1 ALA HB% 1.0 . 4.39 424 377 A 36 TRP HA A 51 PRO HA 1.0 . 3.63 425 378 B -1 ALA HB% A 36 TRP HA 1.0 . 4.79 426 379 A 49 LEU HBx A 36 TRP HA 1.0 . 5.28 427 380 A 32 HIS HD2 A 36 TRP HBy 1.0 . 5.19 428 381 A 32 HIS HD2 A 36 TRP HBx 1.0 . 4.92 429 382 A 49 LEU HBy A 36 TRP HBx 1.0 . 5.50 430 383 A 31 LYS HA A 37 LEU HA 1.0 . 3.37 431 384 A 38 VAL HGy% A 37 LEU HA 1.0 . 4.87 432 385 A 37 LEU HBy A 37 LEU HDx% 1.0 . 3.62 433 386 A 37 LEU HBx A 52 GLU HA 1.0 . 5.50 434 387 A 37 LEU HBy A 52 GLU HA 1.0 . 5.05 435 388 A 37 LEU HDx% A 52 GLU HA 1.0 . 3.19 436 389 A 37 LEU HA A 37 LEU HDx% 1.0 . 4.34 437 390 A 37 LEU HDx% A 52 GLU HGx 1.0 . 4.01 438 391 A 28 ILE HG1x A 37 LEU HDx% 1.0 . 3.89 439 392 A 28 ILE HD1% A 37 LEU HDx% 1.0 . 3.45 440 393 A 37 LEU HDx% A 55 VAL HGy% 1.0 . 3.65 441 394 A 28 ILE HD1% A 37 LEU HDy% 1.0 . 5.45 442 395 A 37 LEU HDy% A 55 VAL HGy% 1.0 . 5.50 443 396 A 37 LEU HDy% A 52 GLU HGx 1.0 . 4.09 444 397 A 31 LYS HBy A 37 LEU HDy% 1.0 . 3.66 445 398 A 37 LEU HDy% A 31 LYS HDx 1.0 . 3.44 446 398 A 37 LEU HDy% A 31 LYS HDy 1.0 . 3.44 447 399 A 37 LEU HDy% A 52 GLU HBx 1.0 . 4.24 448 400 A 37 LEU HBx A 37 LEU HDy% 1.0 . 3.13 449 401 A 37 LEU HDy% A 31 LYS HGy 1.0 . 3.61 450 402 A 37 LEU HDy% A 52 GLU HA 1.0 . 4.32 451 403 A 37 LEU HA A 37 LEU HDy% 1.0 . 3.11 452 404 A 31 LYS HA A 37 LEU HDy% 1.0 . 3.09 453 405 A 57 TYR HE% A 37 LEU HDy% 1.0 . 5.36 454 406 A 37 LEU HBy A 37 LEU HDy% 1.0 . 3.41 455 407 A 37 LEU HG A 28 ILE HD1% 1.0 . 4.82 456 408 A 37 LEU HG A 37 LEU HA 1.0 . 3.73 457 409 A 37 LEU HA A 31 LYS HBy 1.0 . 4.88 458 410 A 39 ALA HB% A 37 LEU HG 1.0 . 5.50 459 411 A 37 LEU HBx A 37 LEU HDx% 1.0 . 3.16 460 412 A 31 LYS HBy A 37 LEU HDx% 1.0 . 4.30 461 413 A 39 ALA HB% A 38 VAL HA 1.0 . 4.56 462 414 A 38 VAL HA A 38 VAL HGx% 1.0 . 3.33 463 415 A 39 ALA HB% A 38 VAL HGx% 1.0 . 4.57 464 416 A 38 VAL HGx% A 47 THR HB 1.0 . 4.53 465 417 A 29 SER HBx A 38 VAL HGx% 1.0 . 4.03 466 418 A 29 SER HBy A 38 VAL HGx% 1.0 . 3.97 467 419 A 38 VAL HGx% A 49 LEU HA 1.0 . 5.18 468 420 A 38 VAL HGx% B -7 PHE HBy 1.0 . 4.73 469 421 A 38 VAL HGy% A 38 VAL HA 1.0 . 3.20 470 422 A 38 VAL HGy% A 49 LEU HA 1.0 . 4.20 471 423 A 38 VAL HGy% A 31 LYS HA 1.0 . 5.39 472 424 A 38 VAL HGy% A 32 HIS HA 1.0 . 5.50 473 425 A 38 VAL HGy% A 32 HIS HBx 1.0 . 3.79 474 426 A 38 VAL HGy% A 49 LEU HDx% 1.0 . 4.57 475 427 A 28 ILE HA A 39 ALA HA 1.0 . 3.28 476 428 A 28 ILE HG2% A 39 ALA HA 1.0 . 4.47 477 429 A 39 ALA HA A 38 VAL HGx% 1.0 . 4.27 478 430 A 39 ALA HA A 47 THR HG2% 1.0 . 4.32 479 431 A 26 VAL HA A 39 ALA HB% 1.0 . 4.78 480 432 A 39 ALA HB% A 28 ILE HA 1.0 . 3.65 481 433 A 39 ALA HB% A 26 VAL HB 1.0 . 3.36 482 434 A 39 ALA HB% A 28 ILE HG2% 1.0 . 3.72 483 435 A 4 ALA HB% A 39 ALA HB% 1.0 . 4.63 484 436 A 26 VAL HGx% A 39 ALA HB% 1.0 . 3.45 485 437 A 39 ALA HB% A 28 ILE HD1% 1.0 . 2.80 486 438 A 28 ILE HG1y A 39 ALA HB% 1.0 . 3.90 487 439 A 39 ALA HB% A 50 VAL HGx% 1.0 . 3.01 488 440 A 39 ALA HB% A 50 VAL HGy% 1.0 . 3.01 489 441 A 47 THR HA A 40 GLU HA 1.0 . 2.92 490 442 A 40 GLU HA A 39 ALA HB% 1.0 . 5.04 491 443 A 26 VAL HGx% A 40 GLU HA 1.0 . 5.35 492 444 A 47 THR HA A 40 GLU HBy 1.0 . 4.62 493 445 A 27 PHE HBy A 40 GLU HBy 1.0 . 4.99 494 446 A 27 PHE HBy A 40 GLU HBx 1.0 . 4.29 495 447 A 42 GLU HA A 40 GLU HGy 1.0 . 5.50 496 448 A 44 GLY HAy A 40 GLU HGy 1.0 . 4.98 497 449 A 42 GLU HA A 40 GLU HGx 1.0 . 5.50 498 450 A 44 GLY HAy A 40 GLU HGx 1.0 . 4.98 499 451 A 41 ASN HBx A 18 LEU HDx% 1.0 . 4.29 500 452 A 41 ASN HBx A 18 LEU HDy% 1.0 . 4.29 501 453 A 41 ASN HBy A 18 LEU HDx% 1.0 . 4.82 502 454 A 41 ASN HBy A 18 LEU HDy% 1.0 . 4.82 503 455 A 41 ASN HBx A 46 LYS HDx 1.0 . 4.91 504 455 A 41 ASN HBx A 46 LYS HDy 1.0 . 4.91 505 456 A 41 ASN HBx A 46 LYS HBx 1.0 . 4.70 506 457 A 41 ASN HBy A 46 LYS HBx 1.0 . 5.50 507 458 A 41 ASN HA A 18 LEU HDy% 1.0 . 5.10 508 459 A 26 VAL HA A 42 GLU HA 1.0 . 4.73 509 460 A 41 ASN HA A 42 GLU HA 1.0 . 5.16 510 461 A 42 GLU HA A 42 GLU HGx 1.0 . 3.02 511 461 A 42 GLU HGy A 42 GLU HA 1.0 . 3.02 512 462 A 25 ILE HG2% A 42 GLU HA 1.0 . 4.69 513 463 A 25 ILE HG2% A 42 GLU HBy 1.0 . 5.50 514 464 A 25 ILE HG2% A 42 GLU HBx 1.0 . 5.50 515 465 A 25 ILE HB A 42 GLU HBy 1.0 . 5.01 516 466 A 25 ILE HB A 42 GLU HBx 1.0 . 5.01 517 467 A 40 GLU HBx A 44 GLY HAy 1.0 . 4.61 518 468 A 40 GLU HBy A 44 GLY HAy 1.0 . 4.95 519 469 A 45 SER HA A 46 LYS HA 1.0 . 4.74 520 470 A 46 LYS HBx A 18 LEU HDx% 1.0 . 5.40 521 471 A 46 LYS HBy A 18 LEU HDx% 1.0 . 5.50 522 472 A 46 LYS HBy A 46 LYS HEx 1.0 . 4.81 523 472 A 46 LYS HEy A 46 LYS HBy 1.0 . 4.81 524 473 A 46 LYS HBx A 18 LEU HDy% 1.0 . 5.40 525 474 A 46 LYS HBy A 18 LEU HDy% 1.0 . 5.50 526 475 A 46 LYS HGy A 41 ASN HBx 1.0 . 4.43 527 476 A 46 LYS HA A 46 LYS HDx 1.0 . 4.51 528 476 A 46 LYS HDy A 46 LYS HA 1.0 . 4.51 529 477 A 46 LYS HBx A 46 LYS HDx 1.0 . 3.58 530 477 A 46 LYS HDy A 46 LYS HBx 1.0 . 3.58 531 478 A 46 LYS HBx A 46 LYS HEx 1.0 . 4.32 532 478 A 46 LYS HEy A 46 LYS HBx 1.0 . 4.32 533 479 A 46 LYS HGx A 46 LYS HEx 1.0 . 3.78 534 479 A 46 LYS HGx A 46 LYS HEy 1.0 . 3.78 535 480 A 46 LYS HGy A 46 LYS HEx 1.0 . 4.09 536 480 A 46 LYS HGy A 46 LYS HEy 1.0 . 4.09 537 481 A 46 LYS HGx A 46 LYS HA 1.0 . 3.76 538 482 A 47 THR HB A 40 GLU HBx 1.0 . 4.78 539 483 A 47 THR HB B -7 PHE HE% 1.0 . 4.53 540 484 A 40 GLU HA A 47 THR HB 1.0 . 4.95 541 485 A 47 THR HA A 40 GLU HGy 1.0 . 5.22 542 486 A 47 THR HA A 40 GLU HGx 1.0 . 5.22 543 487 A 47 THR HA A 40 GLU HBx 1.0 . 4.70 544 488 A 47 THR HA A 39 ALA HB% 1.0 . 5.31 545 489 A 47 THR HA A 38 VAL HGx% 1.0 . 5.15 546 490 A 47 THR HA A 46 LYS HBy 1.0 . 5.50 547 491 A 47 THR HA A 46 LYS HDx 1.0 . 5.50 548 491 A 47 THR HA A 46 LYS HDy 1.0 . 5.50 549 492 A 47 THR HG2% A 40 GLU HGy 1.0 . 4.86 550 493 A 47 THR HG2% A 40 GLU HGx 1.0 . 4.86 551 494 A 47 THR HG2% A 40 GLU HBx 1.0 . 4.36 552 495 A 47 THR HG2% A 40 GLU HBy 1.0 . 4.29 553 496 A 38 VAL HGx% A 47 THR HG2% 1.0 . 3.14 554 497 A 38 VAL HA A 47 THR HG2% 1.0 . 4.79 555 498 A 29 SER HBx A 47 THR HG2% 1.0 . 4.85 556 499 A 29 SER HBy A 47 THR HG2% 1.0 . 4.63 557 500 A 47 THR HA A 47 THR HG2% 1.0 . 3.37 558 501 A 40 GLU HA A 47 THR HG2% 1.0 . 3.83 559 502 A 48 GLY HAy A 18 LEU HBx 1.0 . 4.02 560 502 A 18 LEU HBx A 48 GLY HAx 1.0 . 4.02 561 503 A 48 GLY HAy A 18 LEU HDy% 1.0 . 4.29 562 503 A 18 LEU HDy% A 48 GLY HAx 1.0 . 4.29 563 504 A 47 THR HG2% A 48 GLY HAx 1.0 . 4.73 564 504 A 48 GLY HAy A 47 THR HG2% 1.0 . 4.73 565 505 A 17 GLU HA A 48 GLY HAx 1.0 . 4.75 566 505 A 17 GLU HA A 48 GLY HAy 1.0 . 4.75 567 506 A 49 LEU HA A 36 TRP HE3 1.0 . 5.24 568 507 A 38 VAL HA A 49 LEU HA 1.0 . 3.53 569 508 A 49 LEU HBx A 49 LEU HDx% 1.0 . 3.90 570 509 A 17 GLU HBx A 49 LEU HBy 1.0 . 5.10 571 510 A 49 LEU HBx A 50 VAL HA 1.0 . 5.22 572 511 A 16 ASN HD2x A 49 LEU HBy 1.0 . 4.86 573 512 A 49 LEU HG A 49 LEU HA 1.0 . 4.12 574 513 A 16 ASN HD2x A 49 LEU HG 1.0 . 5.14 575 514 A 49 LEU HBy A 49 LEU HDx% 1.0 . 3.79 576 515 A 49 LEU HDx% B -5 PRO HBy 1.0 . 5.12 577 516 A 49 LEU HA A 49 LEU HDx% 1.0 . 4.44 578 517 A 38 VAL HGy% A 49 LEU HDy% 1.0 . 4.57 579 518 A 49 LEU HBx A 49 LEU HDy% 1.0 . 3.90 580 519 A 49 LEU HDy% B -5 PRO HBy 1.0 . 5.12 581 520 A 49 LEU HBy A 49 LEU HDy% 1.0 . 3.79 582 521 A 49 LEU HDy% B -5 PRO HGx 1.0 . 4.58 583 522 B -5 PRO HBx A 49 LEU HDy% 1.0 . 5.12 584 523 A 49 LEU HDy% B -5 PRO HDy 1.0 . 4.71 585 524 A 49 LEU HA A 49 LEU HDy% 1.0 . 4.44 586 525 A 16 ASN HD2x A 49 LEU HDy% 1.0 . 5.00 587 526 A 50 VAL H A 49 LEU HDy% 1.0 . 5.50 588 527 B -6 ILE HG2% A 49 LEU HDx% 1.0 . 5.43 589 528 A 50 VAL HB A 51 PRO HA 1.0 . 5.50 590 529 A 54 PHE HBy A 51 PRO HBx 1.0 . 4.55 591 529 A 51 PRO HBy A 54 PHE HBy 1.0 . 4.55 592 530 A 10 PHE HD% A 51 PRO HBx 1.0 . 5.22 593 530 A 51 PRO HBy A 10 PHE HD% 1.0 . 5.22 594 531 A 51 PRO HGx B 0 PRO HGy 1.0 . 4.73 595 532 A 50 VAL HB A 51 PRO HGy 1.0 . 5.50 596 533 B 0 PRO HGy A 51 PRO HGy 1.0 . 5.50 597 534 A 50 VAL HA A 51 PRO HGx 1.0 . 5.10 598 535 A 50 VAL HA A 51 PRO HGy 1.0 . 4.91 599 536 A 54 PHE HBy A 51 PRO HGy 1.0 . 5.02 600 537 A 51 PRO HGx B 0 PRO HDy 1.0 . 4.68 601 538 A 51 PRO HGy B 0 PRO HDy 1.0 . 5.50 602 539 A 10 PHE HD% A 51 PRO HGx 1.0 . 4.60 603 540 A 51 PRO HGy A 55 VAL H 1.0 . 5.42 604 541 A 51 PRO HGx A 54 PHE HD% 1.0 . 5.21 605 542 A 51 PRO HGy A 54 PHE HD% 1.0 . 4.83 606 543 A 10 PHE HD% A 51 PRO HDx 1.0 . 4.94 607 544 A 10 PHE HBy A 51 PRO HDx 1.0 . 5.50 608 545 A 50 VAL HA A 51 PRO HDy 1.0 . 3.77 609 546 A 50 VAL HA A 51 PRO HDx 1.0 . 4.01 610 547 A 30 TYR HA A -1 VAL HB 1.0 . 4.99 611 548 A 10 PHE HD% A 50 VAL HB 1.0 . 5.50 612 549 A 50 VAL HB A 36 TRP HE3 1.0 . 5.50 613 550 A 51 PRO HDy A 50 VAL HGx% 1.0 . 4.81 614 551 A 50 VAL HA A 50 VAL HGx% 1.0 . 4.10 615 552 A 52 GLU HA A 53 GLU HBy 1.0 . 5.50 616 553 A 37 LEU HG A 52 GLU HA 1.0 . 3.57 617 554 A 55 VAL HGx% A 52 GLU HA 1.0 . 4.93 618 555 A 12 PRO HDx A 19 ARG HBx 1.0 . 3.93 619 556 A 37 LEU HDy% A 52 GLU HBy 1.0 . 4.24 620 557 A 37 LEU HG A 52 GLU HBy 1.0 . 3.94 621 558 A 12 PRO HGy A 19 ARG HBx 1.0 . 5.21 622 559 A 52 GLU HA A 52 GLU HGy 1.0 . 3.86 623 560 A 52 GLU HA A 52 GLU HGx 1.0 . 3.86 624 561 A 37 LEU HDy% A 52 GLU HGy 1.0 . 4.09 625 562 A 37 LEU HDx% A 52 GLU HGy 1.0 . 4.01 626 563 A 28 ILE HB A 2 GLN HBx 1.0 . 4.21 627 564 A 53 GLU HA A 53 GLU HGx 1.0 . 3.82 628 565 A 53 GLU HBy A 51 PRO HBx 1.0 . 4.49 629 565 A 51 PRO HBy A 53 GLU HBy 1.0 . 4.49 630 566 A 53 GLU HBx B 2 PRO HGx 1.0 . 4.32 631 567 A 53 GLU HBy B 2 PRO HDx 1.0 . 4.64 632 568 A 53 GLU HBx B 2 PRO HDx 1.0 . 4.64 633 569 A 53 GLU HA A 53 GLU HGy 1.0 . 3.82 634 570 A 6 ALA HB% A 54 PHE HBx 1.0 . 5.37 635 571 A 51 PRO HDy A 54 PHE HBy 1.0 . 4.77 636 572 A 54 PHE HBy A 51 PRO HDx 1.0 . 5.30 637 573 A 54 PHE HBx A 51 PRO HBx 1.0 . 4.71 638 573 A 51 PRO HBy A 54 PHE HBx 1.0 . 4.71 639 574 A 54 PHE HBy A 8 TYR HD% 1.0 . 4.82 640 575 A 55 VAL HA A 6 ALA HA 1.0 . 3.22 641 576 A 55 VAL HA A 56 SER HBx 1.0 . 4.88 642 576 A 55 VAL HA A 56 SER HBy 1.0 . 4.88 643 577 A 55 VAL HA A 7 LEU HG 1.0 . 3.84 644 578 A 55 VAL HA A 5 VAL HGx% 1.0 . 4.28 645 579 A 4 ALA HB% A 55 VAL HB 1.0 . 3.24 646 580 A 7 LEU HG A 55 VAL HB 1.0 . 5.10 647 581 A 55 VAL HB A 28 ILE HG1x 1.0 . 5.50 648 582 A 6 ALA HA A 55 VAL HB 1.0 . 4.59 649 583 A 56 SER HA A 55 VAL HB 1.0 . 5.06 650 584 A 4 ALA HB% A 55 VAL HGy% 1.0 . 3.46 651 585 A 28 ILE HG1x A 55 VAL HGy% 1.0 . 4.13 652 586 A 28 ILE HG1y A 55 VAL HGy% 1.0 . 4.96 653 587 A 37 LEU HG A 55 VAL HGy% 1.0 . 5.27 654 588 A 55 VAL HGy% A 51 PRO HBx 1.0 . 4.56 655 588 A 51 PRO HBy A 55 VAL HGy% 1.0 . 4.56 656 589 A 37 LEU HBy A 55 VAL HGy% 1.0 . 4.54 657 590 A 52 GLU HA A 55 VAL HGy% 1.0 . 3.71 658 591 A 55 VAL HGy% A 52 GLU HGx 1.0 . 4.91 659 592 A 55 VAL HGy% A 52 GLU HGy 1.0 . 4.91 660 593 A 56 SER HA A 55 VAL HGy% 1.0 . 4.41 661 594 A 7 LEU HDx% A 55 VAL HGy% 1.0 . 4.47 662 595 A 55 VAL HGx% A 20 LEU HDx% 1.0 . 3.84 663 596 A 7 LEU HG A 55 VAL HGx% 1.0 . 4.39 664 597 A 55 VAL HGx% A 39 ALA HB% 1.0 . 4.86 665 598 A 55 VAL HGx% A 26 VAL HGx% 1.0 . 3.93 666 599 A 55 VAL HGx% A 20 LEU HBy 1.0 . 5.19 667 600 A 55 VAL HGx% A 51 PRO HBx 1.0 . 5.50 668 600 A 55 VAL HGx% A 51 PRO HBy 1.0 . 5.50 669 601 A 55 VAL HGx% A 20 LEU HBx 1.0 . 5.34 670 602 A 55 VAL HGx% A 20 LEU HG 1.0 . 5.50 671 603 A 55 VAL HGx% A 26 VAL HB 1.0 . 5.27 672 604 A 55 VAL HGx% A 51 PRO HDy 1.0 . 5.43 673 605 A 55 VAL HGx% A 54 PHE HBy 1.0 . 4.49 674 606 A 55 VAL HGx% A 54 PHE HBx 1.0 . 4.65 675 607 A 6 ALA HA A 55 VAL HGx% 1.0 . 3.20 676 608 A 55 VAL HGx% A 54 PHE HA 1.0 . 4.79 677 609 A 5 VAL HA A 55 VAL HGx% 1.0 . 4.98 678 610 A 55 VAL HA A 55 VAL HGx% 1.0 . 3.13 679 611 A 55 VAL HA A 55 VAL HGy% 1.0 . 3.83 680 612 A 55 VAL HA A 7 LEU HDy% 1.0 . 4.25 681 613 A 55 VAL HA A 7 LEU HDx% 1.0 . 4.48 682 614 A 7 LEU HDy% A 55 VAL HB 1.0 . 5.50 683 615 A 7 LEU HDx% A 55 VAL HB 1.0 . 5.50 684 616 A 55 VAL HGx% A 20 LEU HDy% 1.0 . 3.84 685 617 A 7 LEU HG A 56 SER HBx 1.0 . 3.97 686 617 A 56 SER HBy A 7 LEU HG 1.0 . 3.97 687 618 A 5 VAL HB A 56 SER HBx 1.0 . 5.02 688 618 A 5 VAL HB A 56 SER HBy 1.0 . 5.02 689 619 A 55 VAL HGy% A 56 SER HBx 1.0 . 4.98 690 619 A 56 SER HBy A 55 VAL HGy% 1.0 . 4.98 691 620 A 7 LEU HBx A 56 SER HBx 1.0 . 5.50 692 620 A 56 SER HBy A 7 LEU HBx 1.0 . 5.50 693 621 A 4 ALA HB% A 56 SER HA 1.0 . 4.60 694 622 A 5 VAL HGx% A 56 SER HA 1.0 . 4.93 695 623 A 7 LEU HDy% A 56 SER HA 1.0 . 4.96 696 624 A 4 ALA HB% A 57 TYR HA 1.0 . 3.28 697 625 A 57 TYR HBx A 58 ILE HA 1.0 . 4.69 698 626 A 58 ILE HG1y A 58 ILE HA 1.0 . 3.96 699 627 A 58 ILE HG1x A 58 ILE HA 1.0 . 3.69 700 628 A 3 ARG HGx A 58 ILE HB 1.0 . 3.79 701 629 A 58 ILE HB A 4 ALA HA 1.0 . 4.91 702 630 A 58 ILE HG2% A 59 GLN HGx 1.0 . 4.92 703 630 A 58 ILE HG2% A 59 GLN HGy 1.0 . 4.92 704 631 A 58 ILE HG2% A 59 GLN HBy 1.0 . 5.06 705 632 A -2 ILE HG2% A 30 TYR HBx 1.0 . 5.32 706 633 A 58 ILE HG2% A 60 PRO HDy 1.0 . 5.50 707 634 A 58 ILE HG2% A 60 PRO HDx 1.0 . 5.50 708 635 A 58 ILE HG2% A 58 ILE HA 1.0 . 3.12 709 636 A -2 ILE HG2% A 29 SER HA 1.0 . 4.81 710 637 A 58 ILE HG2% A 4 ALA HA 1.0 . 5.03 711 638 A 58 ILE HD1% A 58 ILE HG2% 1.0 . 2.56 712 639 A 58 ILE HD1% A 26 VAL HGy% 1.0 . 4.95 713 640 A 3 ARG HGx A 58 ILE HD1% 1.0 . 3.45 714 641 A 3 ARG HGy A 58 ILE HD1% 1.0 . 3.88 715 642 A 58 ILE HD1% A 5 VAL HB 1.0 . 3.23 716 643 A 58 ILE HD1% A 58 ILE HB 1.0 . 3.27 717 644 A 58 ILE HD1% A 58 ILE HA 1.0 . 3.95 718 645 A 58 ILE HG2% A 58 ILE HG1x 1.0 . 3.33 719 646 A 58 ILE HG2% A 58 ILE HG1y 1.0 . 3.40 720 647 A 57 TYR HA A 58 ILE HG1x 1.0 . 4.85 721 648 A 4 ALA HA A 58 ILE HG1y 1.0 . 3.99 722 649 A 58 ILE HG1y A 57 TYR HA 1.0 . 4.96 723 650 A 5 VAL HB A 58 ILE HG1y 1.0 . 4.38 724 651 A 61 GLU HA A 60 PRO HA 1.0 . 4.72 725 652 A 58 ILE HG2% A 60 PRO HA 1.0 . 4.62 726 653 A 62 LEU HG A 60 PRO HBx 1.0 . 5.50 727 654 A 62 LEU HG A 60 PRO HBy 1.0 . 5.50 728 655 A 60 PRO HGx A 62 LEU HDy% 1.0 . 5.21 729 655 A 60 PRO HGy A 62 LEU HDy% 1.0 . 5.21 730 656 A 60 PRO HDx A 59 GLN HBy 1.0 . 4.76 731 657 A 59 GLN HBy A 60 PRO HDy 1.0 . 4.76 732 658 A 60 PRO HDx A 59 GLN HBx 1.0 . 4.76 733 659 A 59 GLN HGx A 60 PRO HDy 1.0 . 4.53 734 659 A 59 GLN HGy A 60 PRO HDy 1.0 . 4.53 735 660 A 11 GLU HA A 12 PRO HDx 1.0 . 3.15 736 661 A 59 GLN HGx A 60 PRO HGx 1.0 . 4.79 737 661 A 59 GLN HGy A 60 PRO HGx 1.0 . 4.79 738 661 A 60 PRO HGy A 59 GLN HGx 1.0 . 4.79 739 661 A 60 PRO HGy A 59 GLN HGy 1.0 . 4.79 740 662 A 60 PRO HA A 59 GLN HGx 1.0 . 5.50 741 662 A 59 GLN HGy A 60 PRO HA 1.0 . 5.50 742 663 A 59 GLN HA A 60 PRO HDx 1.0 . 3.14 743 664 A 59 GLN HA A 60 PRO HDy 1.0 . 3.14 744 665 A 59 GLN HA A 60 PRO HGx 1.0 . 4.24 745 665 A 60 PRO HGy A 59 GLN HA 1.0 . 4.24 746 666 A 62 LEU HG A 59 GLN HBy 1.0 . 5.50 747 667 A 58 ILE HG2% A 59 GLN HBx 1.0 . 5.06 748 668 A 59 GLN HBx A 60 PRO HDy 1.0 . 4.76 749 669 A 58 ILE HB A 59 GLN HGx 1.0 . 5.50 750 669 A 58 ILE HB A 59 GLN HGy 1.0 . 5.50 751 670 A 62 LEU HG A 59 GLN HGx 1.0 . 5.50 752 670 A 59 GLN HGy A 62 LEU HG 1.0 . 5.50 753 671 A 59 GLN HA A 59 GLN HGx 1.0 . 3.57 754 671 A 59 GLN HGy A 59 GLN HA 1.0 . 3.57 755 672 A 59 GLN HGy A 60 PRO HDx 1.0 . 4.53 756 672 A 60 PRO HDx A 59 GLN HGx 1.0 . 4.53 757 673 A 58 ILE HA A 59 GLN HGx 1.0 . 4.99 758 673 A 58 ILE HA A 59 GLN HGy 1.0 . 4.99 759 674 A 61 GLU HA A 62 LEU HG 1.0 . 4.84 760 675 A 61 GLU HA A 61 GLU HGx 1.0 . 4.07 761 676 A 62 LEU HG A 61 GLU HBy 1.0 . 5.50 762 677 A 61 GLU HA A 61 GLU HGy 1.0 . 4.07 763 678 A 62 LEU HG A 62 LEU HA 1.0 . 3.93 764 679 A 62 LEU HA A 62 LEU HDx% 1.0 . 4.03 765 680 A 62 LEU HA A 62 LEU HDy% 1.0 . 4.03 766 681 A 4 ALA HB% A 26 VAL HB 1.0 . 5.50 767 682 A 62 LEU HG A 59 GLN HBx 1.0 . 5.50 768 683 A 62 LEU HG A 61 GLU HBx 1.0 . 5.50 769 684 A 30 TYR HBx A -2 ILE HA 1.0 . 4.39 770 685 A 30 TYR HBy A -2 ILE HA 1.0 . 4.41 771 686 A -2 ILE HG2% A -2 ILE HA 1.0 . 3.38 772 687 A -2 ILE HB A -2 ILE HD1% 1.0 . 3.62 773 688 A -2 ILE HA A -2 ILE HD1% 1.0 . 3.97 774 689 A -2 ILE HG2% A -2 ILE HG1x 1.0 . 3.84 775 690 A -2 ILE HG2% A -2 ILE HG1y 1.0 . 3.84 776 691 A 8 TYR HBx A 54 PHE HD% 1.0 . 4.43 777 692 A 8 TYR HBx A 54 PHE HE% 1.0 . 4.86 778 693 A 17 GLU HBy A 14 ASN HBy 1.0 . 4.23 779 694 A 17 GLU HBy A 14 ASN HBx 1.0 . 4.87 780 695 A 49 LEU HBx A 36 TRP HBx 1.0 . 5.02 781 696 A 51 PRO HDy A 54 PHE HBx 1.0 . 4.63 782 697 A 51 PRO HDy A 50 VAL HB 1.0 . 4.03 783 698 A 26 VAL HGx% A 41 ASN HBx 1.0 . 4.32 784 699 A 38 VAL HGy% A 47 THR HG2% 1.0 . 4.47 785 700 A 46 LYS HGx A 47 THR HG2% 1.0 . 5.50 786 701 A 38 VAL HB A 47 THR HG2% 1.0 . 4.58 787 702 A 48 GLY HAy A 18 LEU HBy 1.0 . 4.02 788 702 A 18 LEU HBy A 48 GLY HAx 1.0 . 4.02 789 703 A 49 LEU HG A 48 GLY HAx 1.0 . 4.91 790 703 A 49 LEU HG A 48 GLY HAy 1.0 . 4.91 791 704 B 0 PRO HGy A 51 PRO HBx 1.0 . 4.43 792 704 A 51 PRO HBy B 0 PRO HGy 1.0 . 4.43 793 705 A 38 VAL HGy% A 32 HIS HBy 1.0 . 3.77 794 706 A 12 PRO HGx A 10 PHE HE% 1.0 . 5.50 795 707 B -7 PHE HBy A 49 LEU HDx% 1.0 . 4.06 796 708 A 49 LEU HDx% B -5 PRO HDx 1.0 . 4.71 797 709 B -5 PRO HDx A 49 LEU HDy% 1.0 . 4.71 798 710 A 36 TRP HE1 B -3 ARG H 1.0 . 4.70 799 711 A 36 TRP HE1 B -1 ALA HA 1.0 . 4.34 800 712 A 36 TRP HBy A 36 TRP HE1 1.0 . 4.93 801 713 A 36 TRP HE1 A 34 GLN HBx 1.0 . 4.24 802 713 A 34 GLN HBy A 36 TRP HE1 1.0 . 4.24 803 714 A 36 TRP HE1 B -5 PRO HBx 1.0 . 4.38 804 715 A 36 TRP HE1 B -5 PRO HBy 1.0 . 4.38 805 716 B -1 ALA HB% A 36 TRP HE1 1.0 . 4.22 806 717 A 36 TRP H A 37 LEU H 1.0 . 4.56 807 718 A 36 TRP HE3 A 37 LEU H 1.0 . 3.70 808 719 A 36 TRP HA A 37 LEU H 1.0 . 2.81 809 720 A 51 PRO HA A 37 LEU H 1.0 . 4.11 810 721 A 2 GLN HA A 1 ASN H 1.0 . 5.31 811 722 A 1 ASN HD2x A 2 GLN H 1.0 . 5.18 812 723 A 27 PHE HD% A 2 GLN H 1.0 . 5.50 813 724 A 2 GLN H A 28 ILE H 1.0 . 4.39 814 725 A 2 GLN H A 1 ASN HA 1.0 . 3.05 815 726 A 3 ARG H A 4 ALA H 1.0 . 4.64 816 727 A 3 ARG H A 2 GLN H 1.0 . 4.52 817 728 A 3 ARG H A 58 ILE H 1.0 . 4.90 818 729 A 27 PHE HD% A 3 ARG H 1.0 . 4.49 819 730 A 3 ARG H A 27 PHE HE% 1.0 . 4.94 820 731 A 2 GLN HA A 3 ARG H 1.0 . 2.72 821 732 A 27 PHE HA A 3 ARG H 1.0 . 4.73 822 733 A 5 VAL H A 4 ALA H 1.0 . 4.47 823 734 A 26 VAL H A 4 ALA H 1.0 . 3.34 824 735 A 27 PHE HD% A 4 ALA H 1.0 . 4.58 825 736 A 3 ARG HA A 4 ALA H 1.0 . 3.04 826 737 A 27 PHE HA A 4 ALA H 1.0 . 3.91 827 738 A 26 VAL HA A 4 ALA H 1.0 . 4.95 828 739 A 57 TYR HA A 4 ALA H 1.0 . 5.04 829 740 A 5 VAL H A 6 ALA H 1.0 . 5.37 830 741 A 5 VAL H A 56 SER H 1.0 . 3.18 831 742 A 5 VAL H A 58 ILE H 1.0 . 4.57 832 743 A 56 SER H A 7 LEU H 1.0 . 4.34 833 744 A 1 ASN H A 2 GLN H 1.0 . 3.46 834 745 A 1 ASN H A 1 ASN HD2x 1.0 . 4.77 835 746 A 3 ARG H A 28 ILE H 1.0 . 4.92 836 747 A 58 ILE H A 57 TYR H 1.0 . 4.67 837 748 A 4 ALA H A 58 ILE H 1.0 . 4.88 838 749 A 28 ILE H A 4 ALA H 1.0 . 4.30 839 750 A 55 VAL HA A 5 VAL H 1.0 . 4.79 840 751 A 4 ALA HA A 5 VAL H 1.0 . 2.92 841 752 A 5 VAL H A 57 TYR HA 1.0 . 4.13 842 753 A 6 ALA H A 25 ILE H 1.0 . 5.50 843 754 A 6 ALA H A 56 SER H 1.0 . 5.50 844 755 A 6 ALA H A 23 GLY H 1.0 . 3.78 845 756 A 5 VAL HA A 6 ALA H 1.0 . 2.54 846 757 A 25 ILE HA A 6 ALA H 1.0 . 3.86 847 758 A 6 ALA H A 7 LEU H 1.0 . 4.63 848 759 A 7 LEU H A 23 GLY H 1.0 . 5.01 849 760 A 8 TYR HD% A 7 LEU H 1.0 . 4.71 850 761 A 55 VAL HA A 7 LEU H 1.0 . 3.19 851 762 A 6 ALA HA A 7 LEU H 1.0 . 2.83 852 763 A 54 PHE HA A 7 LEU H 1.0 . 4.55 853 764 A 8 TYR HD% A 8 TYR H 1.0 . 3.39 854 765 A 54 PHE HD% A 8 TYR H 1.0 . 4.01 855 766 A 8 TYR H A 9 ASP H 1.0 . 4.48 856 767 A 23 GLY H A 8 TYR H 1.0 . 5.45 857 768 A 7 LEU H A 8 TYR H 1.0 . 2.78 858 769 A 6 ALA HA A 8 TYR H 1.0 . 3.77 859 770 A 55 VAL HA A 8 TYR H 1.0 . 4.71 860 771 A 9 ASP H A 22 GLU H 1.0 . 3.80 861 772 A 8 TYR HD% A 9 ASP H 1.0 . 4.64 862 773 A 54 PHE HD% A 9 ASP H 1.0 . 5.00 863 774 A 54 PHE HE% A 9 ASP H 1.0 . 5.11 864 775 A 21 ALA HA A 9 ASP H 1.0 . 4.12 865 776 A 8 TYR HA A 9 ASP H 1.0 . 2.74 866 777 A 54 PHE HD% A 10 PHE H 1.0 . 4.78 867 778 A 10 PHE H A 20 LEU H 1.0 . 3.29 868 779 A 9 ASP H A 10 PHE H 1.0 . 4.78 869 780 A 10 PHE H A 11 GLU H 1.0 . 4.53 870 781 A 20 LEU HA A 10 PHE H 1.0 . 4.44 871 782 A 9 ASP HA A 10 PHE H 1.0 . 2.63 872 783 A 19 ARG HA A 10 PHE H 1.0 . 5.16 873 784 A 10 PHE HD% A 11 GLU H 1.0 . 3.46 874 785 A 10 PHE HA A 11 GLU H 1.0 . 2.48 875 786 A 10 PHE HE% A 13 GLU H 1.0 . 4.69 876 787 A 13 GLU H A 36 TRP HH2 1.0 . 5.50 877 788 A 12 PRO HA A 13 GLU H 1.0 . 2.64 878 789 A 14 ASN H A 14 ASN HD2x 1.0 . 4.08 879 790 A 14 ASN H A 17 GLU H 1.0 . 4.01 880 791 A 13 GLU H A 14 ASN H 1.0 . 2.55 881 792 A 12 PRO HA A 14 ASN H 1.0 . 3.80 882 793 A 14 ASN HBx A 15 ASP H 1.0 . 4.24 883 794 A 15 ASP H A 16 ASN HA 1.0 . 5.23 884 795 A 15 ASP H A 16 ASN H 1.0 . 3.87 885 796 A 17 GLU H A 16 ASN H 1.0 . 2.75 886 797 A 16 ASN HD2x A 16 ASN H 1.0 . 4.23 887 798 A 14 ASN H A 16 ASN H 1.0 . 4.30 888 799 A 15 ASP HA A 16 ASN H 1.0 . 3.43 889 800 A 17 GLU H A 15 ASP H 1.0 . 4.85 890 801 A 13 GLU H A 17 GLU H 1.0 . 5.44 891 802 A 17 GLU H A 49 LEU H 1.0 . 4.96 892 803 A 15 ASP HA A 17 GLU H 1.0 . 3.85 893 804 A 17 GLU H A 16 ASN HA 1.0 . 3.52 894 805 A 12 PRO HA A 17 GLU H 1.0 . 5.50 895 806 A 49 LEU H A 18 LEU H 1.0 . 3.46 896 807 A 17 GLU H A 18 LEU H 1.0 . 4.56 897 808 A 50 VAL H A 18 LEU H 1.0 . 4.95 898 809 A 50 VAL H A 37 LEU H 1.0 . 3.50 899 810 A 36 TRP HE3 A 50 VAL H 1.0 . 3.54 900 811 A 17 GLU HA A 18 LEU H 1.0 . 3.06 901 812 A 18 LEU H A 48 GLY HAx 1.0 . 3.68 902 812 A 48 GLY HAy A 18 LEU H 1.0 . 3.68 903 813 A 49 LEU HA A 18 LEU H 1.0 . 4.70 904 814 A 18 LEU H A 19 ARG H 1.0 . 4.63 905 815 A 18 LEU HA A 19 ARG H 1.0 . 2.54 906 816 A 20 LEU H A 19 ARG H 1.0 . 4.76 907 817 A 10 PHE HD% A 20 LEU H 1.0 . 3.69 908 818 A 10 PHE HA A 20 LEU H 1.0 . 5.27 909 819 A 21 ALA HA A 20 LEU H 1.0 . 5.50 910 820 A 19 ARG HA A 20 LEU H 1.0 . 2.67 911 821 A 20 LEU HA A 21 ALA H 1.0 . 2.60 912 822 A 22 GLU H A 10 PHE H 1.0 . 5.20 913 823 A 10 PHE H A 21 ALA H 1.0 . 4.57 914 824 A 21 ALA HA A 22 GLU H 1.0 . 2.56 915 825 A 9 ASP HA A 22 GLU H 1.0 . 3.16 916 826 A 23 GLY HAy A 23 GLY H 1.0 . 2.92 917 827 A 22 GLU HA A 23 GLY H 1.0 . 2.53 918 828 A 7 LEU HA A 23 GLY H 1.0 . 4.65 919 829 A 23 GLY H A 24 ASP H 1.0 . 3.01 920 830 A 6 ALA H A 24 ASP H 1.0 . 3.84 921 831 A 23 GLY HAx A 24 ASP H 1.0 . 3.46 922 832 A 25 ILE H A 24 ASP H 1.0 . 4.67 923 833 A 24 ASP HA A 25 ILE H 1.0 . 2.54 924 834 A 26 VAL H A 25 ILE H 1.0 . 4.52 925 835 A 26 VAL H A 27 PHE H 1.0 . 4.53 926 836 A 5 VAL HA A 26 VAL H 1.0 . 3.67 927 837 A 25 ILE HA A 26 VAL H 1.0 . 2.81 928 838 A 27 PHE HD% A 27 PHE H 1.0 . 3.86 929 839 A 39 ALA HA A 27 PHE H 1.0 . 4.57 930 840 A 26 VAL HA A 27 PHE H 1.0 . 3.03 931 841 A 27 PHE H A 40 GLU H 1.0 . 3.18 932 842 A 28 ILE H A 29 SER H 1.0 . 4.39 933 843 A 28 ILE H A 27 PHE H 1.0 . 4.36 934 844 A 27 PHE HD% A 28 ILE H 1.0 . 4.32 935 845 A 57 TYR HE% A 28 ILE H 1.0 . 5.50 936 846 A 27 PHE HA A 28 ILE H 1.0 . 2.84 937 847 A 3 ARG HA A 28 ILE H 1.0 . 3.92 938 848 A 2 GLN HA A 28 ILE H 1.0 . 5.34 939 849 A 29 SER HBx A 29 SER H 1.0 . 3.62 940 850 A 29 SER HBy A 29 SER H 1.0 . 3.56 941 851 A 28 ILE HA A 29 SER H 1.0 . 2.87 942 852 A 39 ALA HA A 29 SER H 1.0 . 3.34 943 853 A 40 GLU H A 29 SER H 1.0 . 4.15 944 854 A 29 SER H A 38 VAL H 1.0 . 5.15 945 855 A 27 PHE H A 29 SER H 1.0 . 5.50 946 856 A 28 ILE HA A 30 TYR H 1.0 . 4.00 947 857 A -2 ILE HA A 30 TYR H 1.0 . 5.50 948 858 A 38 VAL HA A 30 TYR H 1.0 . 5.50 949 859 A 39 ALA HA A 30 TYR H 1.0 . 4.61 950 860 A 30 TYR HD% A 30 TYR H 1.0 . 3.67 951 861 A 38 VAL H A 30 TYR H 1.0 . 3.81 952 862 A 29 SER H A 30 TYR H 1.0 . 2.90 953 863 A 30 TYR H A 31 LYS H 1.0 . 4.34 954 864 A 31 LYS H A 32 HIS H 1.0 . 4.71 955 865 A 30 TYR HD% A 31 LYS H 1.0 . 3.82 956 866 A 30 TYR HE% A 31 LYS H 1.0 . 5.50 957 867 A 30 TYR HA A 31 LYS H 1.0 . 3.05 958 868 A 11 GLU HA A 20 LEU H 1.0 . 3.69 959 869 A 37 LEU HA A 32 HIS H 1.0 . 3.28 960 870 A 31 LYS HA A 32 HIS H 1.0 . 2.90 961 871 A 38 VAL H A 32 HIS H 1.0 . 4.23 962 872 A 32 HIS HD2 A 32 HIS H 1.0 . 5.50 963 873 A 33 GLY H A 34 GLN H 1.0 . 4.98 964 874 A 33 GLY H A 35 GLY H 1.0 . 5.26 965 875 A 32 HIS HD2 A 33 GLY H 1.0 . 4.64 966 876 A 36 TRP H A 35 GLY H 1.0 . 3.27 967 877 A 36 TRP HE1 A 36 TRP H 1.0 . 5.50 968 878 A 36 TRP HD1 A 36 TRP H 1.0 . 3.48 969 879 A 32 HIS HD2 A 36 TRP H 1.0 . 5.30 970 880 A 32 HIS HA A 36 TRP H 1.0 . 5.50 971 881 A 33 GLY HAx A 36 TRP H 1.0 . 5.04 972 882 A 34 GLN H A 35 GLY H 1.0 . 4.42 973 883 A 37 LEU H A 52 GLU H 1.0 . 4.62 974 884 A 31 LYS HA A 37 LEU H 1.0 . 5.50 975 885 A 37 LEU H A 38 VAL H 1.0 . 4.70 976 886 A 30 TYR HD% A 38 VAL H 1.0 . 4.69 977 887 A 37 LEU HA A 38 VAL H 1.0 . 2.93 978 888 A 31 LYS HA A 38 VAL H 1.0 . 3.66 979 889 A 38 VAL H A 39 ALA H 1.0 . 4.52 980 890 A 49 LEU HA A 39 ALA H 1.0 . 3.87 981 891 A 38 VAL HA A 39 ALA H 1.0 . 2.65 982 892 A 39 ALA H A 48 GLY HAx 1.0 . 4.59 983 892 A 48 GLY HAy A 39 ALA H 1.0 . 4.59 984 893 A 28 ILE HA A 39 ALA H 1.0 . 4.79 985 894 A 39 ALA HA A 40 GLU H 1.0 . 2.79 986 895 A 26 VAL HA A 40 GLU H 1.0 . 4.71 987 896 A 28 ILE HA A 40 GLU H 1.0 . 4.15 988 897 A 41 ASN H A 46 LYS H 1.0 . 3.90 989 898 A 41 ASN H A 41 ASN HD2x 1.0 . 4.62 990 899 A 41 ASN H A 42 GLU H 1.0 . 4.62 991 900 A 40 GLU H A 41 ASN H 1.0 . 4.58 992 901 A 46 LYS HA A 41 ASN H 1.0 . 5.25 993 902 A 40 GLU HA A 41 ASN H 1.0 . 2.66 994 903 A 47 THR HA A 41 ASN H 1.0 . 3.57 995 904 A 41 ASN H A 44 GLY H 1.0 . 4.17 996 905 A 41 ASN HD2x A 42 GLU H 1.0 . 4.86 997 906 A 41 ASN HA A 42 GLU H 1.0 . 3.06 998 907 A 42 GLU H A 41 ASN HD2y 1.0 . 4.86 999 908 A 42 GLU H A 43 SER H 1.0 . 3.42 1000 909 A 41 ASN HD2x A 43 SER H 1.0 . 4.66 1001 910 A 41 ASN HD2y A 43 SER H 1.0 . 4.66 1002 911 A 44 GLY H A 41 ASN HD2y 1.0 . 4.18 1003 912 A 46 LYS H A 41 ASN HD2y 1.0 . 3.23 1004 913 A 46 LYS H A 41 ASN HD2x 1.0 . 3.23 1005 914 A 41 ASN H A 41 ASN HD2y 1.0 . 4.62 1006 915 A 46 LYS H A 43 SER H 1.0 . 5.28 1007 916 A 41 ASN HD2x A 44 GLY H 1.0 . 4.18 1008 917 A 41 ASN HA A 44 GLY H 1.0 . 4.90 1009 918 A 44 GLY H A 44 GLY HAx 1.0 . 2.95 1010 919 A 44 GLY HAy A 44 GLY H 1.0 . 2.75 1011 920 A 41 ASN HBy A 44 GLY H 1.0 . 4.71 1012 921 A 44 GLY H A 45 SER H 1.0 . 2.81 1013 922 A 41 ASN HD2x A 45 SER H 1.0 . 3.64 1014 923 A 41 ASN HD2y A 45 SER H 1.0 . 3.64 1015 924 A 46 LYS H A 45 SER H 1.0 . 2.60 1016 925 A 46 LYS H A 44 GLY H 1.0 . 3.69 1017 926 A 40 GLU HA A 46 LYS H 1.0 . 5.33 1018 927 A 47 THR H A 48 GLY H 1.0 . 4.52 1019 928 A 40 GLU HA A 47 THR H 1.0 . 4.91 1020 929 A 46 LYS HA A 47 THR H 1.0 . 2.67 1021 930 A 46 LYS H A 47 THR H 1.0 . 4.38 1022 931 A 49 LEU H A 48 GLY H 1.0 . 4.56 1023 932 A 41 ASN H A 48 GLY H 1.0 . 5.40 1024 933 A 18 LEU H A 48 GLY H 1.0 . 5.50 1025 934 A 47 THR HA A 48 GLY H 1.0 . 2.95 1026 935 A 40 GLU HA A 48 GLY H 1.0 . 3.83 1027 936 A 49 LEU H B -7 PHE HD% 1.0 . 4.71 1028 937 A 17 GLU HA A 49 LEU H 1.0 . 3.28 1029 938 A 49 LEU H A 48 GLY HAx 1.0 . 2.90 1030 938 A 48 GLY HAy A 49 LEU H 1.0 . 2.90 1031 939 A 38 VAL HA A 49 LEU H 1.0 . 5.05 1032 940 A 50 VAL H A 36 TRP HZ3 1.0 . 4.96 1033 941 A 49 LEU HA A 50 VAL H 1.0 . 2.78 1034 942 A 38 VAL HA A 50 VAL H 1.0 . 3.69 1035 943 A 50 VAL H A 48 GLY HAx 1.0 . 5.50 1036 943 A 48 GLY HAy A 50 VAL H 1.0 . 5.50 1037 944 A 36 TRP HE3 A 52 GLU H 1.0 . 5.50 1038 945 A 55 VAL H A 52 GLU H 1.0 . 5.50 1039 946 A 36 TRP HA A 52 GLU H 1.0 . 3.97 1040 947 A 51 PRO HA A 52 GLU H 1.0 . 2.70 1041 948 A 52 GLU H A 53 GLU H 1.0 . 3.35 1042 949 A 54 PHE HD% A 53 GLU H 1.0 . 4.50 1043 950 A 51 PRO HA A 53 GLU H 1.0 . 4.10 1044 951 A 54 PHE HD% A 54 PHE H 1.0 . 3.76 1045 952 A 8 TYR HD% A 54 PHE H 1.0 . 5.10 1046 953 A 53 GLU H A 54 PHE H 1.0 . 3.23 1047 954 A 52 GLU H A 54 PHE H 1.0 . 4.31 1048 955 A 55 VAL HA A 54 PHE H 1.0 . 4.66 1049 956 A 55 VAL H A 54 PHE H 1.0 . 2.77 1050 957 A 55 VAL H A 8 TYR H 1.0 . 5.50 1051 958 A 55 VAL H A 54 PHE HD% 1.0 . 4.80 1052 959 A 55 VAL H A 8 TYR HD% 1.0 . 5.36 1053 960 A 55 VAL H A 56 SER H 1.0 . 4.70 1054 961 A 55 VAL H A 53 GLU H 1.0 . 4.27 1055 962 A 55 VAL H A 7 LEU H 1.0 . 4.77 1056 963 A 55 VAL H A 53 GLU HA 1.0 . 3.96 1057 964 A 52 GLU HA A 55 VAL H 1.0 . 4.34 1058 965 A 55 VAL HA A 56 SER H 1.0 . 2.79 1059 966 A 4 ALA HA A 56 SER H 1.0 . 4.47 1060 967 A 57 TYR HE% A 57 TYR H 1.0 . 4.66 1061 968 A 56 SER HA A 57 TYR H 1.0 . 2.77 1062 969 A 58 ILE H A 2 GLN HE2y 1.0 . 4.98 1063 970 A 57 TYR HD% A 58 ILE H 1.0 . 4.54 1064 971 A 4 ALA HA A 58 ILE H 1.0 . 3.29 1065 972 A 57 TYR HA A 58 ILE H 1.0 . 2.84 1066 973 A 61 GLU H A 62 LEU H 1.0 . 3.55 1067 974 A 61 GLU HA A 62 LEU H 1.0 . 3.21 1068 975 A 62 LEU HA A 63 GLU H 1.0 . 2.89 1069 976 A 31 LYS H A -1 VAL H 1.0 . 5.50 1070 977 A 30 TYR HA A -1 VAL H 1.0 . 3.64 1071 978 A -2 ILE HA A -1 VAL H 1.0 . 2.58 1072 979 A -3 ALA HA A -2 ILE H 1.0 . 3.51 1073 980 A 57 TYR HD% A 57 TYR H 1.0 . 3.39 1074 981 A 57 TYR H A 56 SER HBx 1.0 . 4.01 1075 981 A 56 SER HBy A 57 TYR H 1.0 . 4.01 1076 982 A 57 TYR HBx A 57 TYR H 1.0 . 3.69 1077 983 A 57 TYR HBy A 57 TYR H 1.0 . 3.00 1078 984 A 4 ALA HB% A 57 TYR H 1.0 . 3.92 1079 985 A 7 LEU HDy% A 57 TYR H 1.0 . 5.50 1080 986 A 7 LEU HDx% A 57 TYR H 1.0 . 5.50 1081 987 A 55 VAL HGy% A 57 TYR H 1.0 . 4.77 1082 988 A -2 ILE H A -3 ALA HB% 1.0 . 4.59 1083 989 A -2 ILE H A -2 ILE HG1x 1.0 . 4.68 1084 990 A -2 ILE HD1% A -2 ILE H 1.0 . 4.53 1085 991 A -2 ILE H A -2 ILE HG1y 1.0 . 4.68 1086 992 A -1 VAL HB A -1 VAL H 1.0 . 3.05 1087 993 A -2 ILE HG2% A -1 VAL H 1.0 . 3.40 1088 994 A 30 TYR HBx A -1 VAL H 1.0 . 4.59 1089 995 A 30 TYR HBy A -1 VAL H 1.0 . 4.82 1090 996 A 1 ASN H A 1 ASN HBx 1.0 . 4.01 1091 997 A 1 ASN H A 1 ASN HBy 1.0 . 4.01 1092 998 A 63 GLU H A 63 GLU HBx 1.0 . 3.01 1093 998 A 63 GLU H A 63 GLU HBy 1.0 . 3.01 1094 999 A -2 ILE HG2% A 1 ASN H 1.0 . 4.10 1095 1000 A 2 GLN HBx A 2 GLN H 1.0 . 3.32 1096 1001 A 2 GLN HBy A 2 GLN H 1.0 . 3.47 1097 1002 A 2 GLN H A 1 ASN HBy 1.0 . 4.73 1098 1003 A 2 GLN H A 1 ASN HBx 1.0 . 4.73 1099 1004 A 28 ILE HB A 2 GLN H 1.0 . 3.89 1100 1005 A 3 ARG H A 3 ARG HDx 1.0 . 4.36 1101 1005 A 3 ARG HDy A 3 ARG H 1.0 . 4.36 1102 1006 A 2 GLN HGx A 3 ARG H 1.0 . 3.96 1103 1007 A 2 GLN HBy A 3 ARG H 1.0 . 4.46 1104 1008 A 3 ARG HBx A 3 ARG H 1.0 . 3.14 1105 1009 A 3 ARG HGy A 3 ARG H 1.0 . 3.68 1106 1010 A 3 ARG HGx A 3 ARG H 1.0 . 4.11 1107 1011 A 3 ARG HBy A 3 ARG H 1.0 . 3.75 1108 1012 A 4 ALA HB% A 3 ARG H 1.0 . 5.31 1109 1013 A 58 ILE HD1% A 3 ARG H 1.0 . 5.50 1110 1014 A 4 ALA H A 3 ARG HDx 1.0 . 5.17 1111 1014 A 3 ARG HDy A 4 ALA H 1.0 . 5.17 1112 1015 A 3 ARG HBy A 4 ALA H 1.0 . 3.58 1113 1016 A 3 ARG HGy A 4 ALA H 1.0 . 4.75 1114 1017 A 28 ILE HG1y A 4 ALA H 1.0 . 5.04 1115 1018 A 3 ARG HGx A 4 ALA H 1.0 . 3.86 1116 1019 A 28 ILE HG1x A 4 ALA H 1.0 . 5.50 1117 1020 A 39 ALA HB% A 4 ALA H 1.0 . 5.50 1118 1021 A 3 ARG HBx A 4 ALA H 1.0 . 4.18 1119 1022 A 58 ILE HG1x A 4 ALA H 1.0 . 4.63 1120 1023 A 4 ALA HB% A 4 ALA H 1.0 . 3.17 1121 1024 A 25 ILE HG2% A 4 ALA H 1.0 . 3.85 1122 1025 A 58 ILE HD1% A 4 ALA H 1.0 . 4.18 1123 1026 A 26 VAL HGy% A 4 ALA H 1.0 . 3.50 1124 1027 A 5 VAL H A 56 SER HBx 1.0 . 4.01 1125 1027 A 5 VAL H A 56 SER HBy 1.0 . 4.01 1126 1028 A 5 VAL H A 5 VAL HB 1.0 . 3.50 1127 1029 A 5 VAL H A 55 VAL HB 1.0 . 3.84 1128 1030 A 5 VAL H A 58 ILE HG1y 1.0 . 4.14 1129 1031 A 5 VAL H A 5 VAL HGx% 1.0 . 2.73 1130 1032 A 26 VAL HGy% A 5 VAL H 1.0 . 4.78 1131 1033 A 5 VAL H A 55 VAL HGx% 1.0 . 5.25 1132 1034 A 23 GLY HAy A 6 ALA H 1.0 . 4.67 1133 1035 A 22 GLU HA A 6 ALA H 1.0 . 5.24 1134 1036 A 5 VAL HB A 6 ALA H 1.0 . 4.30 1135 1037 A 6 ALA HB% A 6 ALA H 1.0 . 2.73 1136 1038 A 5 VAL HGy% A 6 ALA H 1.0 . 2.85 1137 1039 A 26 VAL HGy% A 6 ALA H 1.0 . 4.56 1138 1040 A 55 VAL HGx% A 6 ALA H 1.0 . 5.06 1139 1041 A 22 GLU HA A 7 LEU H 1.0 . 4.80 1140 1042 A 6 ALA HB% A 7 LEU H 1.0 . 3.54 1141 1043 A 7 LEU HG A 7 LEU H 1.0 . 3.11 1142 1044 A 7 LEU HBy A 7 LEU H 1.0 . 3.23 1143 1045 A 5 VAL HGx% A 7 LEU H 1.0 . 4.62 1144 1046 A 7 LEU HDy% A 7 LEU H 1.0 . 3.25 1145 1047 A 7 LEU HBx A 7 LEU H 1.0 . 3.78 1146 1048 A 54 PHE HBx A 8 TYR H 1.0 . 4.06 1147 1049 A 22 GLU HA A 8 TYR H 1.0 . 4.62 1148 1050 A 8 TYR HBy A 8 TYR H 1.0 . 3.49 1149 1051 A 20 LEU HBx A 8 TYR H 1.0 . 5.46 1150 1052 A 20 LEU HG A 8 TYR H 1.0 . 5.50 1151 1053 A 22 GLU HGx A 8 TYR H 1.0 . 5.01 1152 1054 A 22 GLU HGy A 8 TYR H 1.0 . 5.50 1153 1055 A 22 GLU HBy A 8 TYR H 1.0 . 4.84 1154 1056 A 6 ALA HB% A 8 TYR H 1.0 . 3.52 1155 1057 A 7 LEU HG A 8 TYR H 1.0 . 3.96 1156 1058 A 7 LEU HBy A 8 TYR H 1.0 . 3.51 1157 1059 A 7 LEU HDy% A 8 TYR H 1.0 . 4.90 1158 1060 A 7 LEU HDx% A 8 TYR H 1.0 . 5.21 1159 1061 A 7 LEU HBx A 8 TYR H 1.0 . 4.28 1160 1062 A 8 TYR HBx A 9 ASP H 1.0 . 3.17 1161 1063 A 8 TYR HBy A 9 ASP H 1.0 . 4.02 1162 1064 A 22 GLU HGx A 9 ASP H 1.0 . 4.58 1163 1065 A 20 LEU HBx A 9 ASP H 1.0 . 5.50 1164 1066 A 22 GLU HBy A 9 ASP H 1.0 . 3.78 1165 1067 A 22 GLU HBx A 9 ASP H 1.0 . 4.14 1166 1068 A 6 ALA HB% A 9 ASP H 1.0 . 5.27 1167 1069 A 21 ALA HB% A 9 ASP H 1.0 . 5.43 1168 1070 A 10 PHE HBy A 10 PHE H 1.0 . 3.55 1169 1071 A 10 PHE HBx A 10 PHE H 1.0 . 3.56 1170 1072 A 20 LEU HBx A 10 PHE H 1.0 . 3.19 1171 1073 A 10 PHE H A 11 GLU HBx 1.0 . 5.43 1172 1073 A 11 GLU HBy A 10 PHE H 1.0 . 5.43 1173 1074 A 6 ALA HB% A 10 PHE H 1.0 . 5.30 1174 1075 A 20 LEU HBy A 10 PHE H 1.0 . 3.70 1175 1076 A 10 PHE H A 20 LEU HDy% 1.0 . 5.06 1176 1077 A 10 PHE H A 20 LEU HDx% 1.0 . 5.06 1177 1078 A 12 PRO HDx A 11 GLU H 1.0 . 5.12 1178 1079 A 12 PRO HDy A 11 GLU H 1.0 . 5.03 1179 1080 A 10 PHE HBy A 11 GLU H 1.0 . 3.97 1180 1081 A 10 PHE HBx A 11 GLU H 1.0 . 4.23 1181 1082 A 11 GLU H A 11 GLU HBx 1.0 . 2.69 1182 1082 A 11 GLU HBy A 11 GLU H 1.0 . 2.69 1183 1083 A 13 GLU H A 13 GLU HBy 1.0 . 3.52 1184 1084 A 17 GLU HBy A 13 GLU H 1.0 . 3.82 1185 1085 A 12 PRO HBx A 13 GLU H 1.0 . 3.69 1186 1086 A 13 GLU H A 13 GLU HBx 1.0 . 3.52 1187 1087 A 14 ASN HBy A 14 ASN H 1.0 . 3.29 1188 1088 A 17 GLU HBy A 14 ASN H 1.0 . 2.94 1189 1089 A 14 ASN HBx A 14 ASN H 1.0 . 3.92 1190 1090 A 12 PRO HBx A 14 ASN H 1.0 . 3.36 1191 1091 A 16 ASN H A 16 ASN HBy 1.0 . 3.94 1192 1092 A 14 ASN HBx A 16 ASN H 1.0 . 2.95 1193 1093 A 14 ASN HBy A 16 ASN H 1.0 . 3.48 1194 1094 A 16 ASN H A 16 ASN HBx 1.0 . 3.63 1195 1095 A 17 GLU H A 48 GLY HAx 1.0 . 5.32 1196 1095 A 48 GLY HAy A 17 GLU H 1.0 . 5.32 1197 1096 A 17 GLU H A 16 ASN HBy 1.0 . 4.57 1198 1097 A 14 ASN HBx A 17 GLU H 1.0 . 4.22 1199 1098 A 14 ASN HBy A 17 GLU H 1.0 . 3.85 1200 1099 A 17 GLU H A 17 GLU HGy 1.0 . 3.91 1201 1100 A 17 GLU H A 17 GLU HGx 1.0 . 3.91 1202 1101 A 12 PRO HBx A 17 GLU H 1.0 . 4.06 1203 1102 A 12 PRO HGx A 17 GLU H 1.0 . 5.48 1204 1103 A 49 LEU HBy A 17 GLU H 1.0 . 5.30 1205 1104 A 17 GLU HBy A 17 GLU H 1.0 . 2.99 1206 1105 A 17 GLU H A 16 ASN HBx 1.0 . 4.69 1207 1106 A 16 ASN HD2x B -6 ILE H 1.0 . 4.02 1208 1107 B -6 ILE H A 16 ASN HD2y 1.0 . 4.57 1209 1108 A 16 ASN HD2x A 16 ASN HBy 1.0 . 3.37 1210 1109 A 16 ASN HD2x B -7 PHE HBx 1.0 . 4.11 1211 1110 A 16 ASN HD2x B -7 PHE HA 1.0 . 3.81 1212 1111 A 16 ASN HD2x A 16 ASN HA 1.0 . 4.54 1213 1112 A 16 ASN HD2x B -5 PRO HA 1.0 . 4.20 1214 1113 A 16 ASN HD2y B -7 PHE HA 1.0 . 5.26 1215 1114 A 16 ASN HD2y B -5 PRO HA 1.0 . 4.45 1216 1115 A 16 ASN HBy A 16 ASN HD2y 1.0 . 3.99 1217 1116 A 16 ASN HBx A 16 ASN HD2y 1.0 . 4.04 1218 1117 A 16 ASN HD2y B -6 ILE HA 1.0 . 5.46 1219 1118 A 16 ASN HD2x A 49 LEU HDx% 1.0 . 5.00 1220 1119 A 16 ASN HD2x B -4 SER H 1.0 . 5.50 1221 1120 A 14 ASN HD2y B -3 ARG HE 1.0 . 4.78 1222 1121 A 14 ASN HD2x B -3 ARG HE 1.0 . 5.26 1223 1122 B -4 SER H A 14 ASN HD2y 1.0 . 5.21 1224 1123 A 13 GLU H A 14 ASN HD2x 1.0 . 4.62 1225 1124 A 14 ASN HD2y B -4 SER HBx 1.0 . 3.87 1226 1124 A 14 ASN HD2y B -4 SER HBy 1.0 . 3.87 1227 1125 A 14 ASN HD2x B -4 SER HBx 1.0 . 4.94 1228 1125 A 14 ASN HD2x B -4 SER HBy 1.0 . 4.94 1229 1126 A 14 ASN HD2y B -3 ARG HDy 1.0 . 4.64 1230 1127 A 14 ASN HD2y B -3 ARG HDx 1.0 . 4.64 1231 1128 A 14 ASN HBy A 14 ASN HD2y 1.0 . 3.55 1232 1129 A 14 ASN HD2y A 13 GLU HBy 1.0 . 4.90 1233 1130 A 14 ASN HD2x B -3 ARG HDy 1.0 . 4.92 1234 1131 A 14 ASN HD2x B -3 ARG HDx 1.0 . 4.92 1235 1132 A 14 ASN HBx A 14 ASN HD2x 1.0 . 3.55 1236 1133 A 14 ASN HBy A 14 ASN HD2x 1.0 . 3.17 1237 1134 A 14 ASN HD2x A 17 GLU HGy 1.0 . 4.65 1238 1135 A 17 GLU HBy A 14 ASN HD2x 1.0 . 5.50 1239 1136 A 14 ASN HD2x A 17 GLU HGx 1.0 . 4.65 1240 1137 A 14 ASN HD2x A 14 ASN HA 1.0 . 4.45 1241 1138 A 14 ASN HD2x A 16 ASN H 1.0 . 5.11 1242 1139 A 14 ASN HD2y A 14 ASN HA 1.0 . 5.03 1243 1140 A -2 ILE HG2% A 1 ASN HD2x 1.0 . 4.01 1244 1141 A 1 ASN HD2x A 1 ASN HA 1.0 . 4.58 1245 1142 A 1 ASN HA A 1 ASN HD2y 1.0 . 4.85 1246 1143 A -2 ILE HG2% A 1 ASN HD2y 1.0 . 3.82 1247 1144 A 34 GLN HE2y A 34 GLN HBx 1.0 . 4.93 1248 1144 A 34 GLN HBy A 34 GLN HE2y 1.0 . 4.93 1249 1145 A 34 GLN HE2x A 34 GLN HBx 1.0 . 4.93 1250 1145 A 34 GLN HBy A 34 GLN HE2x 1.0 . 4.93 1251 1146 A 59 GLN HE2x A 59 GLN HGx 1.0 . 4.04 1252 1146 A 59 GLN HGy A 59 GLN HE2x 1.0 . 4.04 1253 1147 A 59 GLN HE2y A 59 GLN HGx 1.0 . 4.04 1254 1147 A 59 GLN HGy A 59 GLN HE2y 1.0 . 4.04 1255 1148 A 3 ARG H A 2 GLN HE2y 1.0 . 4.88 1256 1149 A 3 ARG H A 2 GLN HE2x 1.0 . 4.34 1257 1150 A 58 ILE H A 2 GLN HE2x 1.0 . 4.46 1258 1151 A 2 GLN HA A 2 GLN HE2x 1.0 . 4.60 1259 1152 A 57 TYR HA A 2 GLN HE2x 1.0 . 5.04 1260 1153 A 2 GLN HA A 2 GLN HE2y 1.0 . 4.66 1261 1154 A 2 GLN HGx A 2 GLN HE2x 1.0 . 3.46 1262 1155 A 57 TYR HBx A 2 GLN HE2y 1.0 . 5.22 1263 1156 A 57 TYR HBx A 2 GLN HE2x 1.0 . 4.77 1264 1157 A 57 TYR HBy A 2 GLN HE2x 1.0 . 5.50 1265 1158 A 4 ALA HB% A 2 GLN HE2x 1.0 . 5.46 1266 1159 A 58 ILE HG2% A 2 GLN HE2x 1.0 . 5.50 1267 1160 A 58 ILE HG2% A 2 GLN HE2y 1.0 . 5.44 1268 1161 A 2 GLN HBx A 2 GLN HE2x 1.0 . 4.70 1269 1162 A 36 TRP HBy A 36 TRP H 1.0 . 3.09 1270 1163 A 32 HIS HBx A 36 TRP H 1.0 . 4.20 1271 1164 A 33 GLY HAy A 36 TRP H 1.0 . 4.45 1272 1165 B -1 ALA HB% A 36 TRP H 1.0 . 5.02 1273 1166 A 37 LEU HDy% A 36 TRP H 1.0 . 5.06 1274 1167 A 36 TRP H B -5 PRO HGx 1.0 . 5.45 1275 1168 A 31 LYS HGx A 36 TRP H 1.0 . 5.14 1276 1169 A 36 TRP H B -5 PRO HGy 1.0 . 5.45 1277 1170 A 36 TRP H A 34 GLN HBx 1.0 . 4.04 1278 1170 A 34 GLN HBy A 36 TRP H 1.0 . 4.04 1279 1171 A 36 TRP H A 31 LYS HEx 1.0 . 5.50 1280 1171 A 31 LYS HEy A 36 TRP H 1.0 . 5.50 1281 1172 A 32 HIS HBy A 36 TRP H 1.0 . 5.50 1282 1173 A 32 HIS HBx A 32 HIS H 1.0 . 3.29 1283 1174 A 32 HIS HBy A 32 HIS H 1.0 . 3.38 1284 1175 A 31 LYS HBy A 32 HIS H 1.0 . 4.22 1285 1176 A 31 LYS HBx A 32 HIS H 1.0 . 4.57 1286 1177 A 32 HIS H A 31 LYS HDx 1.0 . 4.98 1287 1177 A 31 LYS HDy A 32 HIS H 1.0 . 4.98 1288 1178 A 37 LEU HBx A 32 HIS H 1.0 . 4.38 1289 1179 A 31 LYS HGx A 32 HIS H 1.0 . 4.03 1290 1180 A 31 LYS HGy A 32 HIS H 1.0 . 4.21 1291 1181 A 37 LEU HDy% A 32 HIS H 1.0 . 3.57 1292 1182 A 38 VAL HGy% A 32 HIS H 1.0 . 4.82 1293 1183 A 37 LEU HDx% A 32 HIS H 1.0 . 4.83 1294 1184 A 38 VAL HGx% A 30 TYR H 1.0 . 4.39 1295 1185 A 38 VAL HGy% A 30 TYR H 1.0 . 4.47 1296 1186 A 28 ILE HG2% A 30 TYR H 1.0 . 3.17 1297 1187 A 38 VAL HB A 30 TYR H 1.0 . 3.23 1298 1188 A 29 SER HBx A 30 TYR H 1.0 . 3.64 1299 1189 A 29 SER HBy A 30 TYR H 1.0 . 3.35 1300 1190 A 30 TYR HBx A 30 TYR H 1.0 . 3.78 1301 1191 A 38 VAL HA A 29 SER H 1.0 . 5.20 1302 1192 A 54 PHE HBy A 53 GLU H 1.0 . 4.66 1303 1193 A 53 GLU HBx A 53 GLU H 1.0 . 3.35 1304 1194 A 53 GLU HBy A 53 GLU H 1.0 . 3.03 1305 1195 A 53 GLU H A 51 PRO HBx 1.0 . 3.73 1306 1195 A 51 PRO HBy A 53 GLU H 1.0 . 3.73 1307 1196 A 37 LEU HDx% A 53 GLU H 1.0 . 5.39 1308 1197 A 55 VAL HGy% A 53 GLU H 1.0 . 5.17 1309 1198 B -1 ALA HB% A 53 GLU H 1.0 . 5.17 1310 1199 B -1 ALA HB% A 52 GLU H 1.0 . 4.19 1311 1200 A 37 LEU HDy% A 52 GLU H 1.0 . 4.56 1312 1201 A 37 LEU HDx% A 52 GLU H 1.0 . 4.31 1313 1202 A 55 VAL HGx% A 52 GLU H 1.0 . 5.50 1314 1203 A 55 VAL HGy% A 52 GLU H 1.0 . 4.85 1315 1204 A 52 GLU H A 52 GLU HGy 1.0 . 4.75 1316 1205 A 52 GLU H A 52 GLU HGx 1.0 . 4.75 1317 1206 A 53 GLU HBy A 52 GLU H 1.0 . 4.23 1318 1207 A 52 GLU H A 52 GLU HBy 1.0 . 3.07 1319 1208 A 52 GLU H A 52 GLU HBx 1.0 . 3.07 1320 1209 A 52 GLU H A 51 PRO HBx 1.0 . 3.45 1321 1209 A 51 PRO HBy A 52 GLU H 1.0 . 3.45 1322 1210 A 37 LEU HG A 52 GLU H 1.0 . 4.01 1323 1211 A 54 PHE HBy A 52 GLU H 1.0 . 4.95 1324 1212 A 18 LEU H A 18 LEU HBx 1.0 . 3.42 1325 1213 A 12 PRO HBy A 18 LEU H 1.0 . 3.69 1326 1214 A 12 PRO HBx A 18 LEU H 1.0 . 5.09 1327 1215 A 18 LEU H A 18 LEU HBy 1.0 . 3.42 1328 1216 A 18 LEU HG A 18 LEU H 1.0 . 4.69 1329 1217 A 49 LEU HBx A 18 LEU H 1.0 . 5.14 1330 1218 A 49 LEU HG A 18 LEU H 1.0 . 5.50 1331 1219 A 49 LEU HBy A 18 LEU H 1.0 . 3.88 1332 1220 A 17 GLU HBx A 18 LEU H 1.0 . 3.58 1333 1221 A 12 PRO HDx A 19 ARG H 1.0 . 3.85 1334 1222 A 12 PRO HDy A 19 ARG H 1.0 . 5.26 1335 1223 A 19 ARG H A 19 ARG HDy 1.0 . 4.92 1336 1224 A 19 ARG H A 19 ARG HDx 1.0 . 4.92 1337 1225 A 12 PRO HBy A 19 ARG H 1.0 . 4.82 1338 1226 A 19 ARG H A 19 ARG HGy 1.0 . 3.80 1339 1227 A 19 ARG HBy A 19 ARG H 1.0 . 3.11 1340 1228 A 19 ARG H A 19 ARG HGx 1.0 . 3.80 1341 1229 A 12 PRO HDx A 20 LEU H 1.0 . 4.04 1342 1230 A 10 PHE HBx A 20 LEU H 1.0 . 3.85 1343 1231 A 20 LEU HBx A 20 LEU H 1.0 . 3.57 1344 1232 A 31 LYS HBy A 31 LYS H 1.0 . 3.20 1345 1233 A 31 LYS HBx A 31 LYS H 1.0 . 3.26 1346 1234 A 20 LEU HBy A 20 LEU H 1.0 . 3.28 1347 1235 A 28 ILE HG2% A 31 LYS H 1.0 . 4.77 1348 1236 A 21 ALA H A 24 ASP HBy 1.0 . 4.00 1349 1237 A 21 ALA H A 24 ASP HBx 1.0 . 4.00 1350 1238 A 20 LEU HBx A 21 ALA H 1.0 . 3.82 1351 1239 A 20 LEU HG A 21 ALA H 1.0 . 4.17 1352 1240 A 21 ALA H A 20 LEU HDy% 1.0 . 4.55 1353 1241 A 21 ALA H A 20 LEU HDx% 1.0 . 4.55 1354 1242 A 21 ALA HB% A 21 ALA H 1.0 . 2.66 1355 1243 A 6 ALA HB% A 21 ALA H 1.0 . 3.58 1356 1244 A 22 GLU H A 9 ASP HBy 1.0 . 4.50 1357 1245 A 22 GLU H A 9 ASP HBx 1.0 . 4.50 1358 1246 A 22 GLU HGx A 22 GLU H 1.0 . 4.63 1359 1247 A 22 GLU HBy A 22 GLU H 1.0 . 2.85 1360 1248 A 22 GLU HBx A 22 GLU H 1.0 . 2.87 1361 1249 A 6 ALA HB% A 22 GLU H 1.0 . 3.99 1362 1250 A 21 ALA HB% A 22 GLU H 1.0 . 3.17 1363 1251 A 5 VAL HGy% A 23 GLY H 1.0 . 3.51 1364 1252 A 22 GLU HGx A 23 GLY H 1.0 . 4.21 1365 1253 A 22 GLU HGy A 23 GLY H 1.0 . 3.61 1366 1254 A 22 GLU HBx A 23 GLY H 1.0 . 4.38 1367 1255 A 6 ALA HB% A 23 GLY H 1.0 . 3.11 1368 1256 A 5 VAL HGy% A 24 ASP H 1.0 . 4.35 1369 1257 A 21 ALA HB% A 24 ASP H 1.0 . 3.95 1370 1258 A 22 GLU HBx A 24 ASP H 1.0 . 5.31 1371 1259 A 22 GLU HBy A 24 ASP H 1.0 . 5.50 1372 1260 A 6 ALA HB% A 24 ASP H 1.0 . 2.83 1373 1261 A 22 GLU HA A 24 ASP H 1.0 . 3.55 1374 1262 A 25 ILE H A 24 ASP HBy 1.0 . 3.90 1375 1263 A 25 ILE H A 24 ASP HBx 1.0 . 3.90 1376 1264 A 25 ILE HB A 25 ILE H 1.0 . 2.82 1377 1265 A 25 ILE HG1x A 25 ILE H 1.0 . 3.53 1378 1266 A 25 ILE HG1y A 25 ILE H 1.0 . 3.33 1379 1267 A 25 ILE HG2% A 25 ILE H 1.0 . 3.94 1380 1268 A 26 VAL H A 26 VAL HB 1.0 . 4.18 1381 1269 A 25 ILE HB A 26 VAL H 1.0 . 4.26 1382 1270 A 6 ALA HB% A 26 VAL H 1.0 . 5.50 1383 1271 A 25 ILE HG1x A 26 VAL H 1.0 . 5.50 1384 1272 A 25 ILE HG1y A 26 VAL H 1.0 . 4.73 1385 1273 A 4 ALA HB% A 26 VAL H 1.0 . 4.23 1386 1274 A 25 ILE HG2% A 26 VAL H 1.0 . 2.99 1387 1275 A 26 VAL HGy% A 26 VAL H 1.0 . 2.94 1388 1276 A 27 PHE HBy A 27 PHE H 1.0 . 3.16 1389 1277 A 40 GLU HBx A 27 PHE H 1.0 . 4.92 1390 1278 A 26 VAL HB A 27 PHE H 1.0 . 2.97 1391 1279 A 39 ALA HB% A 27 PHE H 1.0 . 3.85 1392 1280 A 26 VAL HGx% A 27 PHE H 1.0 . 3.47 1393 1281 A 26 VAL HGy% A 27 PHE H 1.0 . 3.82 1394 1282 A 28 ILE H A 27 PHE HBx 1.0 . 3.80 1395 1283 A 28 ILE HB A 28 ILE H 1.0 . 3.12 1396 1284 A 26 VAL HB A 28 ILE H 1.0 . 4.82 1397 1285 A 2 GLN HBx A 28 ILE H 1.0 . 4.56 1398 1286 A 3 ARG HBy A 28 ILE H 1.0 . 5.44 1399 1287 A 28 ILE HG1y A 28 ILE H 1.0 . 3.30 1400 1288 A 28 ILE HG1x A 28 ILE H 1.0 . 3.90 1401 1289 A 39 ALA HB% A 28 ILE H 1.0 . 4.14 1402 1290 A 4 ALA HB% A 28 ILE H 1.0 . 3.62 1403 1291 A 28 ILE HD1% A 28 ILE H 1.0 . 3.54 1404 1292 A 28 ILE HD1% A 29 SER H 1.0 . 4.36 1405 1293 A 38 VAL HGx% A 29 SER H 1.0 . 4.69 1406 1294 A 28 ILE HG2% A 29 SER H 1.0 . 3.45 1407 1295 A 38 VAL HB A 29 SER H 1.0 . 4.36 1408 1296 A 39 ALA HB% A 29 SER H 1.0 . 4.02 1409 1297 A 28 ILE HG1y A 29 SER H 1.0 . 5.30 1410 1298 A 28 ILE HB A 29 SER H 1.0 . 4.71 1411 1299 A 31 LYS HGy A 31 LYS H 1.0 . 4.28 1412 1300 A 30 TYR HBy A 31 LYS H 1.0 . 3.32 1413 1301 A 30 TYR HBx A 31 LYS H 1.0 . 4.19 1414 1302 A 32 HIS HBy A 33 GLY H 1.0 . 4.26 1415 1303 A 31 LYS HGx A 33 GLY H 1.0 . 5.50 1416 1304 A 31 LYS HGy A 33 GLY H 1.0 . 5.14 1417 1305 A 32 HIS HBx A 33 GLY H 1.0 . 3.91 1418 1306 A 34 GLN H A 34 GLN HGx 1.0 . 4.54 1419 1306 A 34 GLN HGy A 34 GLN H 1.0 . 4.54 1420 1307 A 36 TRP HBy A 37 LEU H 1.0 . 4.36 1421 1308 A 36 TRP HBx A 37 LEU H 1.0 . 3.58 1422 1309 A 52 GLU HA A 37 LEU H 1.0 . 5.19 1423 1310 A 37 LEU HBy A 37 LEU H 1.0 . 3.42 1424 1311 A 37 LEU HG A 37 LEU H 1.0 . 3.37 1425 1312 A 37 LEU HDy% A 37 LEU H 1.0 . 3.99 1426 1313 A 37 LEU HDx% A 37 LEU H 1.0 . 4.15 1427 1314 A 32 HIS HBx A 38 VAL H 1.0 . 4.48 1428 1315 A 29 SER HBy A 38 VAL H 1.0 . 5.05 1429 1316 A 37 LEU HBy A 38 VAL H 1.0 . 3.95 1430 1317 A 37 LEU HBx A 38 VAL H 1.0 . 3.34 1431 1318 A 38 VAL HB A 38 VAL H 1.0 . 3.12 1432 1319 A 39 ALA HB% A 38 VAL H 1.0 . 5.12 1433 1320 A 38 VAL HGy% A 38 VAL H 1.0 . 3.20 1434 1321 A 38 VAL HGx% A 38 VAL H 1.0 . 4.08 1435 1322 A 37 LEU HDy% A 38 VAL H 1.0 . 4.20 1436 1323 A 28 ILE HG2% A 38 VAL H 1.0 . 3.91 1437 1324 A 38 VAL HB A 39 ALA H 1.0 . 4.50 1438 1325 A 39 ALA HB% A 39 ALA H 1.0 . 3.10 1439 1326 A 47 THR HG2% A 39 ALA H 1.0 . 4.06 1440 1327 A 39 ALA H A 50 VAL HGx% 1.0 . 4.65 1441 1328 A 38 VAL HGy% A 39 ALA H 1.0 . 4.40 1442 1329 A 39 ALA H A 50 VAL HGy% 1.0 . 4.65 1443 1330 A 38 VAL HGx% A 39 ALA H 1.0 . 3.13 1444 1331 A 28 ILE HG2% A 39 ALA H 1.0 . 4.87 1445 1332 A 27 PHE HBy A 40 GLU H 1.0 . 3.76 1446 1333 A 40 GLU H A 40 GLU HGy 1.0 . 4.10 1447 1334 A 40 GLU H A 40 GLU HGx 1.0 . 4.10 1448 1335 A 40 GLU HBx A 40 GLU H 1.0 . 3.59 1449 1336 A 26 VAL HB A 40 GLU H 1.0 . 4.02 1450 1337 A 39 ALA HB% A 40 GLU H 1.0 . 3.02 1451 1338 A 47 THR HG2% A 40 GLU H 1.0 . 4.18 1452 1339 A 28 ILE HG2% A 40 GLU H 1.0 . 5.50 1453 1340 A 26 VAL HGx% A 40 GLU H 1.0 . 4.55 1454 1341 A 28 ILE HD1% A 40 GLU H 1.0 . 4.49 1455 1342 A 44 GLY HAy A 41 ASN H 1.0 . 4.70 1456 1343 A 41 ASN HBy A 41 ASN H 1.0 . 3.57 1457 1344 A 41 ASN HBx A 41 ASN H 1.0 . 3.29 1458 1345 A 41 ASN H A 40 GLU HGy 1.0 . 4.09 1459 1346 A 41 ASN H A 40 GLU HGx 1.0 . 4.09 1460 1347 A 40 GLU HBx A 41 ASN H 1.0 . 4.16 1461 1348 A 40 GLU HBy A 41 ASN H 1.0 . 3.60 1462 1349 A 41 ASN H A 46 LYS HDx 1.0 . 4.92 1463 1349 A 46 LYS HDy A 41 ASN H 1.0 . 4.92 1464 1350 A 46 LYS HBx A 41 ASN H 1.0 . 4.59 1465 1351 A 47 THR HG2% A 41 ASN H 1.0 . 4.76 1466 1352 A 41 ASN H A 18 LEU HDx% 1.0 . 4.19 1467 1353 A 26 VAL HGx% A 41 ASN H 1.0 . 4.65 1468 1354 A 41 ASN H A 18 LEU HDy% 1.0 . 4.19 1469 1355 A 41 ASN HBy A 42 GLU H 1.0 . 2.99 1470 1356 A 41 ASN HBx A 42 GLU H 1.0 . 3.95 1471 1357 A 42 GLU H A 42 GLU HBy 1.0 . 3.67 1472 1358 A 42 GLU H A 42 GLU HGx 1.0 . 4.13 1473 1358 A 42 GLU HGy A 42 GLU H 1.0 . 4.13 1474 1359 A 42 GLU H A 42 GLU HBx 1.0 . 3.67 1475 1360 A 26 VAL HGx% A 25 ILE H 1.0 . 5.17 1476 1361 A 26 VAL HGx% A 42 GLU H 1.0 . 5.04 1477 1362 A 43 SER H A 43 SER HBy 1.0 . 3.71 1478 1363 A 43 SER H A 43 SER HBx 1.0 . 3.71 1479 1364 A 44 GLY HAy A 43 SER H 1.0 . 5.21 1480 1365 A 41 ASN HBy A 43 SER H 1.0 . 4.46 1481 1366 A 41 ASN HBx A 43 SER H 1.0 . 5.07 1482 1367 A 43 SER H A 42 GLU HBy 1.0 . 3.89 1483 1368 A 43 SER H A 42 GLU HBx 1.0 . 3.89 1484 1369 A 41 ASN HBx A 44 GLY H 1.0 . 4.80 1485 1370 A 40 GLU HBy A 44 GLY H 1.0 . 4.65 1486 1371 A 45 SER H A 45 SER HBy 1.0 . 3.87 1487 1372 A 45 SER H A 45 SER HBx 1.0 . 3.87 1488 1373 A 46 LYS HBx A 45 SER H 1.0 . 4.87 1489 1374 A 46 LYS HGy A 45 SER H 1.0 . 5.50 1490 1375 A 46 LYS HBy A 45 SER H 1.0 . 5.50 1491 1376 A 44 GLY HAy A 46 LYS H 1.0 . 4.13 1492 1377 A 41 ASN HBx A 46 LYS H 1.0 . 4.77 1493 1378 A 46 LYS H A 46 LYS HEx 1.0 . 5.29 1494 1378 A 46 LYS HEy A 46 LYS H 1.0 . 5.29 1495 1379 A 46 LYS HBy A 46 LYS H 1.0 . 3.88 1496 1380 A 46 LYS HBx A 46 LYS H 1.0 . 3.19 1497 1381 A 46 LYS HGy A 46 LYS H 1.0 . 3.84 1498 1382 A 40 GLU HBx A 46 LYS H 1.0 . 5.47 1499 1383 A 40 GLU HBy A 46 LYS H 1.0 . 5.04 1500 1384 A 47 THR HB A 47 THR H 1.0 . 3.11 1501 1385 A 46 LYS HBy A 47 THR H 1.0 . 3.93 1502 1386 A 46 LYS HBx A 47 THR H 1.0 . 4.86 1503 1387 A 46 LYS HGx A 47 THR H 1.0 . 3.93 1504 1388 A 47 THR HG2% A 47 THR H 1.0 . 4.17 1505 1389 A 47 THR HB A 48 GLY H 1.0 . 4.13 1506 1390 A 39 ALA HB% A 48 GLY H 1.0 . 4.73 1507 1391 A 47 THR HG2% A 48 GLY H 1.0 . 3.39 1508 1392 A 48 GLY H A 18 LEU HDx% 1.0 . 4.57 1509 1393 A 48 GLY H A 18 LEU HDy% 1.0 . 4.57 1510 1394 A 38 VAL HGx% A 48 GLY H 1.0 . 3.92 1511 1395 A 49 LEU H A 49 LEU HDx% 1.0 . 4.18 1512 1396 A 49 LEU H A 49 LEU HDy% 1.0 . 4.18 1513 1397 A 49 LEU H A 18 LEU HBx 1.0 . 4.96 1514 1398 A 49 LEU HG A 49 LEU H 1.0 . 3.15 1515 1399 A 49 LEU HBy A 49 LEU H 1.0 . 3.19 1516 1400 A 49 LEU H A 18 LEU HBy 1.0 . 4.96 1517 1401 A 18 LEU HG A 49 LEU H 1.0 . 5.50 1518 1402 A 17 GLU HBx A 49 LEU H 1.0 . 4.63 1519 1403 A 12 PRO HBy A 49 LEU H 1.0 . 5.50 1520 1404 A 17 GLU HBy A 49 LEU H 1.0 . 5.50 1521 1405 A 49 LEU H A 16 ASN HBy 1.0 . 5.48 1522 1406 B -7 PHE HBy A 49 LEU H 1.0 . 5.50 1523 1407 A 49 LEU H B -7 PHE HBx 1.0 . 5.50 1524 1408 A 50 VAL H A 51 PRO HDx 1.0 . 5.10 1525 1409 A 37 LEU HG A 50 VAL H 1.0 . 5.20 1526 1410 A 50 VAL HB A 50 VAL H 1.0 . 3.96 1527 1411 A 49 LEU HBx A 50 VAL H 1.0 . 3.48 1528 1412 A 39 ALA HB% A 50 VAL H 1.0 . 4.34 1529 1413 A 49 LEU HBy A 50 VAL H 1.0 . 4.75 1530 1414 A 50 VAL H A 50 VAL HGx% 1.0 . 3.75 1531 1415 A 28 ILE HG2% A 50 VAL H 1.0 . 5.50 1532 1416 A 38 VAL HGy% A 50 VAL H 1.0 . 4.76 1533 1417 A 50 VAL H A 50 VAL HGy% 1.0 . 3.75 1534 1418 A 50 VAL H A 49 LEU HDx% 1.0 . 5.50 1535 1419 A 52 GLU HA A 54 PHE H 1.0 . 4.02 1536 1420 A 51 PRO HA A 54 PHE H 1.0 . 4.89 1537 1421 A 54 PHE HBx A 54 PHE H 1.0 . 3.49 1538 1422 A 54 PHE HBy A 54 PHE H 1.0 . 3.07 1539 1423 A 53 GLU HBx A 54 PHE H 1.0 . 4.25 1540 1424 A 53 GLU HBy A 54 PHE H 1.0 . 4.23 1541 1425 A 54 PHE H A 52 GLU HBy 1.0 . 5.50 1542 1426 A 54 PHE H A 52 GLU HBx 1.0 . 5.50 1543 1427 A 55 VAL HB A 54 PHE H 1.0 . 5.50 1544 1428 A 54 PHE H A 51 PRO HBx 1.0 . 3.29 1545 1428 A 51 PRO HBy A 54 PHE H 1.0 . 3.29 1546 1429 A 55 VAL HGx% A 54 PHE H 1.0 . 4.24 1547 1430 A 55 VAL HGy% A 54 PHE H 1.0 . 3.87 1548 1431 A 7 LEU HDx% A 54 PHE H 1.0 . 4.93 1549 1432 A 51 PRO HGy A 54 PHE H 1.0 . 4.87 1550 1433 A 54 PHE HBx A 55 VAL H 1.0 . 4.38 1551 1434 A 54 PHE HBy A 55 VAL H 1.0 . 4.11 1552 1435 A 55 VAL H A 53 GLU HBx 1.0 . 5.50 1553 1436 A 55 VAL HB A 55 VAL H 1.0 . 4.09 1554 1437 A 55 VAL H A 51 PRO HBx 1.0 . 4.65 1555 1437 A 51 PRO HBy A 55 VAL H 1.0 . 4.65 1556 1438 A 7 LEU HG A 55 VAL H 1.0 . 4.93 1557 1439 A 7 LEU HBy A 55 VAL H 1.0 . 5.43 1558 1440 A 7 LEU HDx% A 55 VAL H 1.0 . 4.06 1559 1441 A 55 VAL HGy% A 55 VAL H 1.0 . 2.87 1560 1442 A 55 VAL HGx% A 55 VAL H 1.0 . 3.33 1561 1443 A 56 SER H A 56 SER HBx 1.0 . 3.03 1562 1443 A 56 SER HBy A 56 SER H 1.0 . 3.03 1563 1444 A 5 VAL HB A 56 SER H 1.0 . 5.03 1564 1445 A 55 VAL HB A 56 SER H 1.0 . 3.06 1565 1446 A 7 LEU HG A 56 SER H 1.0 . 3.77 1566 1447 A 5 VAL HGx% A 56 SER H 1.0 . 3.23 1567 1448 A 7 LEU HDy% A 56 SER H 1.0 . 3.72 1568 1449 A 55 VAL HGx% A 56 SER H 1.0 . 3.72 1569 1450 A 55 VAL HGy% A 56 SER H 1.0 . 3.78 1570 1451 A 57 TYR HBx A 58 ILE H 1.0 . 3.73 1571 1452 A 57 TYR HBy A 58 ILE H 1.0 . 4.55 1572 1453 A 2 GLN HGx A 58 ILE H 1.0 . 4.80 1573 1454 A 58 ILE HB A 58 ILE H 1.0 . 3.29 1574 1455 A 3 ARG HGx A 58 ILE H 1.0 . 4.17 1575 1456 A 58 ILE HG1y A 58 ILE H 1.0 . 4.48 1576 1457 A 58 ILE HG1x A 58 ILE H 1.0 . 3.58 1577 1458 A 4 ALA HB% A 58 ILE H 1.0 . 4.07 1578 1459 A 58 ILE HG2% A 58 ILE H 1.0 . 4.44 1579 1460 A 58 ILE HD1% A 58 ILE H 1.0 . 4.02 1580 1461 A 58 ILE H A 59 GLN H 1.0 . 4.74 1581 1462 A 60 PRO HA A 59 GLN H 1.0 . 5.47 1582 1463 A 59 GLN H A 60 PRO HDy 1.0 . 5.50 1583 1464 A 59 GLN H A 60 PRO HDx 1.0 . 5.50 1584 1465 A 58 ILE HA A 59 GLN H 1.0 . 2.92 1585 1466 A 59 GLN H A 59 GLN HGx 1.0 . 3.80 1586 1466 A 59 GLN HGy A 59 GLN H 1.0 . 3.80 1587 1467 A 59 GLN H A 59 GLN HBy 1.0 . 3.84 1588 1468 A 59 GLN H A 59 GLN HBx 1.0 . 3.84 1589 1469 A 58 ILE HB A 59 GLN H 1.0 . 3.86 1590 1470 A 3 ARG HGy A 59 GLN H 1.0 . 5.50 1591 1471 A 58 ILE HG2% A 59 GLN H 1.0 . 3.69 1592 1472 A 58 ILE HG1y A 59 GLN H 1.0 . 4.96 1593 1473 A 61 GLU H A 60 PRO HGx 1.0 . 3.16 1594 1473 A 60 PRO HGy A 61 GLU H 1.0 . 3.16 1595 1474 A 62 LEU H A 59 GLN HBy 1.0 . 4.95 1596 1475 A 62 LEU H A 60 PRO HGx 1.0 . 3.85 1597 1475 A 60 PRO HGy A 62 LEU H 1.0 . 3.85 1598 1476 A 62 LEU H A 59 GLN HBx 1.0 . 4.95 1599 1477 A 62 LEU HG A 62 LEU H 1.0 . 3.35 1600 1478 A 62 LEU H A 62 LEU HDx% 1.0 . 4.75 1601 1479 A 62 LEU H A 62 LEU HDy% 1.0 . 4.75 1602 1480 A 2 GLN HBy A 1 ASN H 1.0 . 5.27 1603 1481 A 16 ASN HD2y B -4 SER HBx 1.0 . 5.10 1604 1481 A 16 ASN HD2y B -4 SER HBy 1.0 . 5.10 1605 1482 B -7 PHE HE% A 48 GLY H 1.0 . 4.72 1606 1483 A 48 GLY H B -7 PHE HD% 1.0 . 5.09 1607 1484 A 10 PHE HD% A 10 PHE H 1.0 . 4.74 1608 1485 A 54 PHE HE% A 10 PHE H 1.0 . 4.85 1609 1486 A 14 ASN HD2y A 13 GLU HBx 1.0 . 4.90 1610 1487 A 36 TRP HE1 A 35 GLY HAx 1.0 . 5.50 1611 1488 A 36 TRP HE1 B -5 PRO HA 1.0 . 5.50 1612 1489 A 54 PHE HA A 54 PHE HD% 1.0 . 3.65 1613 1490 A 10 PHE HA A 54 PHE HD% 1.0 . 4.29 1614 1491 A 54 PHE HD% A 8 TYR HD% 1.0 . 3.83 1615 1492 A 54 PHE HE% B 0 PRO HBx 1.0 . 4.36 1616 1493 A 54 PHE HE% B 3 PRO HDx 1.0 . 4.66 1617 1494 A 8 TYR HBy A 54 PHE HE% 1.0 . 4.07 1618 1495 A 54 PHE HE% B 0 PRO HGy 1.0 . 4.11 1619 1496 A 36 TRP HZ2 B -3 ARG HGx 1.0 . 4.08 1620 1497 A 36 TRP HZ2 B -3 ARG HGy 1.0 . 4.08 1621 1498 A 27 PHE HE% A 42 GLU HGx 1.0 . 3.94 1622 1498 A 42 GLU HGy A 27 PHE HE% 1.0 . 3.94 1623 1499 A 10 PHE HD% B 0 PRO HGx 1.0 . 3.94 1624 1500 A 49 LEU HBx A 36 TRP HZ3 1.0 . 4.62 1625 1501 A 36 TRP HD1 A 49 LEU HDy% 1.0 . 5.50 1626 1502 A 57 TYR HE% A 28 ILE HG2% 1.0 . 3.32 1627 1503 A 57 TYR HE% A 37 LEU HDx% 1.0 . 3.54 1628 1504 A 57 TYR HE% A 28 ILE HG1x 1.0 . 3.12 1629 1505 A -2 ILE HG2% A 30 TYR HD% 1.0 . 4.14 1630 1506 A 30 TYR HD% A -2 ILE HD1% 1.0 . 4.54 1631 1507 A 28 ILE HG1y A 57 TYR HE% 1.0 . 3.95 1632 1508 A 57 TYR HE% A 2 GLN HBx 1.0 . 3.52 1633 1509 A 2 GLN HBy A 57 TYR HE% 1.0 . 3.83 1634 1510 A 8 TYR HE% B 3 PRO HDx 1.0 . 4.13 1635 1511 A 2 GLN HGy A 57 TYR HE% 1.0 . 3.01 1636 1512 A 57 TYR HD% A 4 ALA HB% 1.0 . 2.81 1637 1513 A 57 TYR HD% A 28 ILE HG1x 1.0 . 4.08 1638 1514 A 57 TYR HD% A 55 VAL HB 1.0 . 4.68 1639 1515 A 57 TYR HD% A 2 GLN HBx 1.0 . 4.43 1640 1516 A 2 GLN HGy A 57 TYR HD% 1.0 . 3.49 1641 1517 B 0 PRO HGy A 54 PHE HD% 1.0 . 4.61 1642 1518 A 38 VAL HGy% A 32 HIS HD2 1.0 . 4.72 1643 1519 A 32 HIS HD2 B -5 PRO HGx 1.0 . 4.17 1644 1520 A 32 HIS HD2 B -5 PRO HGy 1.0 . 4.17 1645 1521 A 32 HIS HD2 A 34 GLN HBx 1.0 . 4.43 1646 1521 A 34 GLN HBy A 32 HIS HD2 1.0 . 4.43 1647 1522 A 32 HIS HD2 A 34 GLN HGx 1.0 . 4.67 1648 1522 A 34 GLN HGy A 32 HIS HD2 1.0 . 4.67 1649 1523 A 7 LEU HBy A 8 TYR HD% 1.0 . 3.58 1650 1524 A 7 LEU HBx A 8 TYR HD% 1.0 . 4.29 1651 1525 A 7 LEU HDx% A 8 TYR HD% 1.0 . 3.81 1652 1526 A 7 LEU HBy A 8 TYR HE% 1.0 . 3.46 1653 1527 A 7 LEU HBx A 8 TYR HE% 1.0 . 4.05 1654 1528 A 57 TYR HE% A 55 VAL HGy% 1.0 . 4.61 1655 1529 A 8 TYR HE% A 7 LEU HDx% 1.0 . 3.08 1656 1530 A 8 TYR HE% A 54 PHE HD% 1.0 . 4.37 1657 1531 A 29 SER HBx A 30 TYR HD% 1.0 . 3.44 1658 1532 A 29 SER HBy A 30 TYR HD% 1.0 . 3.92 1659 1533 A 38 VAL HB A 30 TYR HD% 1.0 . 4.00 1660 1534 A 38 VAL HGy% A 30 TYR HD% 1.0 . 3.78 1661 1535 A 30 TYR HD% A 38 VAL HGx% 1.0 . 4.18 1662 1536 A 29 SER HBx A 30 TYR HE% 1.0 . 3.94 1663 1537 A 30 TYR HE% A 32 HIS HBx 1.0 . 5.15 1664 1538 A 38 VAL HGy% A 30 TYR HE% 1.0 . 3.21 1665 1539 A 30 TYR HE% A 38 VAL HGx% 1.0 . 3.35 1666 1540 A 32 HIS HD2 A 32 HIS HBx 1.0 . 3.54 1667 1541 A 32 HIS HBy A 32 HIS HD2 1.0 . 3.91 1668 1542 A 36 TRP HD1 A 32 HIS HD2 1.0 . 5.50 1669 1543 A 36 TRP HD1 A 34 GLN HBx 1.0 . 2.98 1670 1543 A 34 GLN HBy A 36 TRP HD1 1.0 . 2.98 1671 1544 A 36 TRP HD1 A 36 TRP HBy 1.0 . 3.23 1672 1545 A 36 TRP HA A 36 TRP HE3 1.0 . 3.57 1673 1546 A 36 TRP HBx A 36 TRP HE3 1.0 . 4.03 1674 1547 A 49 LEU HBx A 36 TRP HE3 1.0 . 3.57 1675 1548 A 49 LEU HBy A 36 TRP HE3 1.0 . 4.39 1676 1549 A 36 TRP HE3 A 49 LEU HDx% 1.0 . 5.44 1677 1550 A 36 TRP HE3 A 49 LEU HDy% 1.0 . 5.44 1678 1551 A 8 TYR HBy A 54 PHE HD% 1.0 . 3.75 1679 1552 A 10 PHE HBx A 54 PHE HD% 1.0 . 3.80 1680 1553 A 54 PHE HD% A 51 PRO HBx 1.0 . 3.74 1681 1553 A 51 PRO HBy A 54 PHE HD% 1.0 . 3.74 1682 1554 A 54 PHE HD% A 53 GLU HBx 1.0 . 4.05 1683 1555 A 54 PHE HD% A 53 GLU HBy 1.0 . 4.59 1684 1556 A 10 PHE HBy A 54 PHE HD% 1.0 . 3.30 1685 1557 A 10 PHE HBy A 54 PHE HE% 1.0 . 3.81 1686 1558 A 10 PHE HBx A 54 PHE HE% 1.0 . 4.40 1687 1559 A 57 TYR HD% A 55 VAL HGy% 1.0 . 3.77 1688 1560 B -1 ALA HB% A 36 TRP HZ2 1.0 . 4.32 1689 1561 B -1 ALA HA A 36 TRP HZ2 1.0 . 3.60 1690 1562 A 36 TRP HZ2 B 0 PRO HDx 1.0 . 4.05 1691 1563 A 8 TYR HE% B 2 PRO HBy 1.0 . 3.74 1692 1564 A 8 TYR HE% B 2 PRO HGx 1.0 . 3.94 1693 1565 A 8 TYR HE% B 3 PRO HGx 1.0 . 4.61 1694 1566 A 8 TYR HE% B 3 PRO HDy 1.0 . 4.13 1695 1567 A 8 TYR HE% B 2 PRO HDx 1.0 . 4.94 1696 1568 A 57 TYR HE% A 37 LEU HBx 1.0 . 5.33 1697 1569 A 7 LEU HA A 8 TYR HE% 1.0 . 5.09 1698 1570 A 8 TYR HE% B 2 PRO HA 1.0 . 4.30 1699 1571 A 8 TYR HE% A 53 GLU HA 1.0 . 5.50 1700 1572 A 8 TYR HE% B 3 PRO HGy 1.0 . 3.76 1701 1573 A 57 TYR HE% A 52 GLU HA 1.0 . 5.41 1702 1574 A 57 TYR HE% A 57 TYR HA 1.0 . 4.53 1703 1575 A 38 VAL HB A 30 TYR HE% 1.0 . 3.96 1704 1576 A 29 SER HBy A 30 TYR HE% 1.0 . 4.12 1705 1577 A 30 TYR HE% A 32 HIS HBy 1.0 . 3.68 1706 1578 A 32 HIS HA A 32 HIS HD2 1.0 . 4.94 1707 1579 A 50 VAL HA A 36 TRP HE3 1.0 . 4.56 1708 1580 A 51 PRO HA A 36 TRP HE3 1.0 . 4.16 1709 1581 B -1 ALA HB% A 36 TRP HH2 1.0 . 4.77 1710 1582 A 50 VAL HA A 36 TRP HH2 1.0 . 5.50 1711 1583 B -1 ALA HA A 36 TRP HH2 1.0 . 4.37 1712 1584 A 36 TRP HH2 B 0 PRO HDx 1.0 . 4.20 1713 1585 A 51 PRO HDx A 36 TRP HH2 1.0 . 4.56 1714 1586 A 36 TRP HH2 B 0 PRO HGx 1.0 . 4.90 1715 1587 A 17 GLU HBx A 36 TRP HH2 1.0 . 5.50 1716 1588 A 36 TRP HH2 B 0 PRO HBy 1.0 . 5.50 1717 1589 A 36 TRP HD1 A 36 TRP HA 1.0 . 4.37 1718 1590 A 36 TRP HD1 B -5 PRO HBx 1.0 . 3.94 1719 1591 A 36 TRP HD1 B -5 PRO HBy 1.0 . 3.94 1720 1592 A 36 TRP HD1 B -5 PRO HGx 1.0 . 3.54 1721 1593 A 36 TRP HD1 A 49 LEU HDx% 1.0 . 5.50 1722 1594 A 36 TRP HD1 B -1 ALA HB% 1.0 . 4.27 1723 1595 A 36 TRP HD1 B -5 PRO HGy 1.0 . 3.54 1724 1596 A 10 PHE HE% B 0 PRO HGx 1.0 . 4.05 1725 1597 A 10 PHE HE% A 51 PRO HDx 1.0 . 4.62 1726 1598 A 50 VAL HA A 36 TRP HZ3 1.0 . 3.74 1727 1599 A 49 LEU HBy A 36 TRP HZ3 1.0 . 5.09 1728 1600 A 10 PHE HE% A 36 TRP HZ3 1.0 . 3.97 1729 1601 A 51 PRO HDx A 36 TRP HZ3 1.0 . 3.90 1730 1602 A 51 PRO HDy A 36 TRP HZ3 1.0 . 4.12 1731 1603 A 51 PRO HGx A 36 TRP HZ3 1.0 . 4.63 1732 1604 A 10 PHE HE% A 36 TRP HH2 1.0 . 3.42 1733 1605 A 30 TYR HA A 30 TYR HD% 1.0 . 3.75 1734 1606 A 32 HIS HA A 30 TYR HD% 1.0 . 3.91 1735 1607 A 30 TYR HD% A 29 SER HA 1.0 . 5.00 1736 1608 A 30 TYR HD% A -2 ILE HA 1.0 . 4.36 1737 1609 A 8 TYR HD% B 3 PRO HGy 1.0 . 4.34 1738 1610 B 2 PRO HGx A 8 TYR HD% 1.0 . 5.34 1739 1611 B 3 PRO HGx A 8 TYR HD% 1.0 . 4.13 1740 1612 A 22 GLU HGx A 8 TYR HD% 1.0 . 4.40 1741 1613 A 54 PHE HBx A 8 TYR HD% 1.0 . 4.07 1742 1614 A 54 PHE HE% A 8 TYR HD% 1.0 . 4.36 1743 1615 A 42 GLU HA A 27 PHE HZ 1.0 . 4.56 1744 1616 A 27 PHE HZ A 3 ARG HDx 1.0 . 5.00 1745 1616 A 3 ARG HDy A 27 PHE HZ 1.0 . 5.00 1746 1617 A 27 PHE HZ A 42 GLU HGx 1.0 . 4.40 1747 1617 A 42 GLU HGy A 27 PHE HZ 1.0 . 4.40 1748 1618 A 25 ILE HG2% A 27 PHE HZ 1.0 . 4.26 1749 1619 A 54 PHE HZ B 3 PRO HDy 1.0 . 4.91 1750 1620 B 2 PRO HA A 54 PHE HZ 1.0 . 3.70 1751 1621 A 8 TYR HBy A 54 PHE HZ 1.0 . 4.48 1752 1622 B 0 PRO HBx A 54 PHE HZ 1.0 . 4.52 1753 1623 A 54 PHE HZ B 3 PRO HDx 1.0 . 4.91 1754 1624 B 0 PRO HGy A 54 PHE HZ 1.0 . 4.73 1755 1625 A 54 PHE HE% B 2 PRO HDx 1.0 . 4.08 1756 1626 A 54 PHE HE% B 2 PRO HA 1.0 . 3.69 1757 1627 A 54 PHE HE% B 1 LYS HA 1.0 . 4.01 1758 1628 A 54 PHE HA A 54 PHE HE% 1.0 . 4.40 1759 1629 A 10 PHE HA A 54 PHE HE% 1.0 . 3.78 1760 1630 A 11 GLU HA A 10 PHE HD% 1.0 . 4.33 1761 1631 A 42 GLU HA A 27 PHE HE% 1.0 . 3.62 1762 1632 A 3 ARG HBx A 27 PHE HE% 1.0 . 4.17 1763 1633 A 3 ARG HGy A 27 PHE HE% 1.0 . 4.91 1764 1634 A 10 PHE HD% A 36 TRP HZ3 1.0 . 4.41 1765 1635 A 57 TYR HD% A 56 SER HA 1.0 . 3.90 1766 1636 A 57 TYR HD% A 57 TYR HA 1.0 . 2.92 1767 1637 A 25 ILE HG2% A 27 PHE HE% 1.0 . 4.42 1768 1638 B 0 PRO HDy A 36 TRP HZ2 1.0 . 4.61 1769 1639 A 36 TRP HD1 A 35 GLY HAx 1.0 . 4.79 1770 1640 A 54 PHE HD% B 2 PRO HA 1.0 . 4.33 1771 1641 A 12 PRO HA A 10 PHE HD% 1.0 . 4.79 1772 1642 A 50 VAL HA A 10 PHE HD% 1.0 . 4.43 1773 1643 A 10 PHE HE% A 12 PRO HBy 1.0 . 4.05 1774 1644 A 10 PHE HE% B 0 PRO HBy 1.0 . 4.65 1775 1645 A 10 PHE HE% A 17 GLU HBx 1.0 . 3.80 1776 1646 A 10 PHE HE% A 12 PRO HA 1.0 . 4.08 1777 1647 A 10 PHE HE% A 50 VAL HA 1.0 . 4.28 1778 1648 A 27 PHE HE% A 27 PHE HZ 1.0 . 2.45 1779 1649 A 27 PHE HA A 27 PHE HD% 1.0 . 3.33 1780 1650 A 3 ARG HA A 27 PHE HD% 1.0 . 3.77 1781 1651 A 57 TYR HD% A 4 ALA HA 1.0 . 4.46 1782 1652 A 27 PHE HD% A 42 GLU HA 1.0 . 4.19 1783 1653 A 27 PHE HD% A 40 GLU HBx 1.0 . 5.50 1784 1654 A 27 PHE HD% A 42 GLU HGx 1.0 . 5.50 1785 1654 A 27 PHE HD% A 42 GLU HGy 1.0 . 5.50 1786 1655 A 27 PHE HD% A 40 GLU HBy 1.0 . 4.97 1787 1656 A 3 ARG HBx A 27 PHE HD% 1.0 . 4.30 1788 1657 A 10 PHE HD% A 51 PRO HGy 1.0 . 4.69 1789 1658 A 54 PHE HA A 8 TYR HD% 1.0 . 3.00 1790 1659 A 54 PHE HA A 8 TYR HE% 1.0 . 3.46 1791 1660 B 0 PRO HGy A 36 TRP HH2 1.0 . 5.50 1792 1661 B 2 PRO HBy A 54 PHE HD% 1.0 . 4.42 1793 1662 A 54 PHE HE% B 2 PRO HBx 1.0 . 4.49 1794 1663 B 2 PRO HBy A 54 PHE HE% 1.0 . 4.67 1795 1664 A 54 PHE HE% B 3 PRO HDy 1.0 . 4.66 1796 1665 A 54 PHE HE% B 2 PRO HGy 1.0 . 5.34 1797 1666 A 32 HIS HD2 B -5 PRO HDy 1.0 . 4.55 1798 1667 A 32 HIS HD2 B -5 PRO HDx 1.0 . 4.55 1799 1668 A 47 THR HG2% B -7 PHE HE% 1.0 . 3.48 1800 1669 A 47 THR HG2% B -7 PHE HD% 1.0 . 4.01 1801 1670 A 38 VAL HGx% B -7 PHE HE% 1.0 . 3.93 1802 1671 A 38 VAL HGx% B -7 PHE HD% 1.0 . 3.58 1803 1672 A 38 VAL HGy% B -7 PHE HD% 1.0 . 3.64 1804 1673 A 38 VAL HGy% B -7 PHE HE% 1.0 . 5.04 1805 1674 A 38 VAL HGy% B -7 PHE HBy 1.0 . 3.55 1806 1675 A 38 VAL HGy% B -7 PHE HBx 1.0 . 4.30 1807 1676 B -7 PHE HBx A 49 LEU HDy% 1.0 . 4.16 1808 1677 B -7 PHE HA A 49 LEU HDy% 1.0 . 4.95 1809 1678 B -7 PHE HD% A 49 LEU HDy% 1.0 . 4.22 1810 1679 B -6 ILE HG2% A 49 LEU HDy% 1.0 . 5.43 1811 1680 B -7 PHE HBy A 49 LEU HDy% 1.0 . 4.06 1812 1681 B -5 PRO HGy A 49 LEU HDy% 1.0 . 4.58 1813 1682 B -7 PHE HBx A 49 LEU HDx% 1.0 . 4.16 1814 1683 B -7 PHE HA A 49 LEU HDx% 1.0 . 4.95 1815 1684 B -7 PHE HD% A 49 LEU HDx% 1.0 . 4.22 1816 1685 A 49 LEU HDx% B -5 PRO HBx 1.0 . 5.12 1817 1686 A 49 LEU HDx% B -5 PRO HGx 1.0 . 4.58 1818 1687 A 49 LEU HDx% B -5 PRO HGy 1.0 . 4.58 1819 1688 A 49 LEU HDx% B -5 PRO HDy 1.0 . 4.71 1820 1689 A 49 LEU HG B -7 PHE HBx 1.0 . 4.11 1821 1690 A 49 LEU HG B -7 PHE HD% 1.0 . 4.15 1822 1691 A 49 LEU HG B -7 PHE HBy 1.0 . 4.18 1823 1692 B -1 ALA HB% A 51 PRO HBx 1.0 . 3.69 1824 1692 A 51 PRO HBy B -1 ALA HB% 1.0 . 3.69 1825 1693 B 0 PRO HDy A 51 PRO HBx 1.0 . 4.43 1826 1693 A 51 PRO HBy B 0 PRO HDy 1.0 . 4.43 1827 1694 B -1 ALA HB% A 51 PRO HA 1.0 . 3.84 1828 1695 B -7 PHE HD% A 16 ASN HBx 1.0 . 3.72 1829 1696 B -7 PHE HE% A 16 ASN HBx 1.0 . 4.87 1830 1697 B -7 PHE HD% A 16 ASN HBy 1.0 . 3.85 1831 1698 B -7 PHE HE% A 16 ASN HBy 1.0 . 4.59 1832 1699 A 16 ASN HBx B -7 PHE HA 1.0 . 4.34 1833 1700 A 16 ASN HBy B -7 PHE HA 1.0 . 4.27 1834 1701 B -7 PHE HBy A 16 ASN HBy 1.0 . 4.83 1835 1702 B -7 PHE HE% A 48 GLY HAx 1.0 . 3.66 1836 1702 A 48 GLY HAy B -7 PHE HE% 1.0 . 3.66 1837 1703 B -7 PHE HD% A 48 GLY HAx 1.0 . 3.76 1838 1703 A 48 GLY HAy B -7 PHE HD% 1.0 . 3.76 1839 1704 B -1 ALA HB% A 35 GLY HAx 1.0 . 3.68 1840 1705 A -2 ILE H A -2 ILE HG1x 1.0 . 4.04 1841 1705 A -2 ILE H A -2 ILE HG1y 1.0 . 4.04 1842 1706 A -2 ILE HA A -2 ILE HG1x 1.0 . 3.68 1843 1706 A -2 ILE HA A -2 ILE HG1y 1.0 . 3.68 1844 1707 A -2 ILE HG2% A -2 ILE HG1x 1.0 . 3.23 1845 1707 A -2 ILE HG2% A -2 ILE HG1y 1.0 . 3.23 1846 1708 A -2 ILE HG2% A 1 ASN HBx 1.0 . 4.67 1847 1708 A -2 ILE HG2% A 1 ASN HBy 1.0 . 4.67 1848 1709 A -1 VAL H A -2 ILE HG1x 1.0 . 4.72 1849 1709 A -1 VAL H A -2 ILE HG1y 1.0 . 4.72 1850 1710 A 30 TYR HE% A -2 ILE HG1x 1.0 . 4.69 1851 1710 A 30 TYR HE% A -2 ILE HG1y 1.0 . 4.69 1852 1711 A -1 VAL H A -1 VAL HGx% 1.0 . 3.58 1853 1711 A -1 VAL H A -1 VAL HG21 1.0 . 3.58 1854 1712 A 1 ASN H A -1 VAL HGx% 1.0 . 4.37 1855 1712 A 1 ASN H A -1 VAL HG21 1.0 . 4.37 1856 1713 A -1 VAL HG21 A 1 ASN HBx 1.0 . 5.28 1857 1713 A -1 VAL HGx% A 1 ASN HBx 1.0 . 5.28 1858 1713 A 1 ASN HBy A -1 VAL HGx% 1.0 . 5.28 1859 1713 A 1 ASN HBy A -1 VAL HG21 1.0 . 5.28 1860 1714 A 2 GLN H A -1 VAL HGx% 1.0 . 3.42 1861 1714 A 2 GLN H A -1 VAL HG21 1.0 . 3.42 1862 1715 A 2 GLN HA A -1 VAL HGx% 1.0 . 4.93 1863 1715 A 2 GLN HA A -1 VAL HG21 1.0 . 4.93 1864 1716 A 2 GLN HBy A -1 VAL HGx% 1.0 . 4.35 1865 1716 A 2 GLN HBy A -1 VAL HG21 1.0 . 4.35 1866 1717 A 2 GLN HBx A -1 VAL HGx% 1.0 . 4.07 1867 1717 A 2 GLN HBx A -1 VAL HG21 1.0 . 4.07 1868 1718 A 2 GLN HGy A -1 VAL HGx% 1.0 . 5.03 1869 1718 A 2 GLN HGy A -1 VAL HG21 1.0 . 5.03 1870 1719 A 2 GLN HGx A -1 VAL HGx% 1.0 . 4.94 1871 1719 A 2 GLN HGx A -1 VAL HG21 1.0 . 4.94 1872 1720 A 30 TYR HA A -1 VAL HGx% 1.0 . 4.58 1873 1720 A 30 TYR HA A -1 VAL HG21 1.0 . 4.58 1874 1721 A 30 TYR HBy A -1 VAL HGx% 1.0 . 5.44 1875 1721 A 30 TYR HBy A -1 VAL HG21 1.0 . 5.44 1876 1722 A 31 LYS H A -1 VAL HGx% 1.0 . 4.59 1877 1722 A 31 LYS H A -1 VAL HG21 1.0 . 4.59 1878 1723 A 1 ASN H A 1 ASN HBx 1.0 . 3.46 1879 1723 A 1 ASN H A 1 ASN HBy 1.0 . 3.46 1880 1724 A 1 ASN HD2x A 1 ASN HBx 1.0 . 3.03 1881 1724 A 1 ASN HD2x A 1 ASN HBy 1.0 . 3.03 1882 1725 A 1 ASN HD2y A 1 ASN HBx 1.0 . 3.47 1883 1725 A 1 ASN HD2y A 1 ASN HBy 1.0 . 3.47 1884 1726 A 2 GLN H A 1 ASN HBx 1.0 . 4.15 1885 1726 A 2 GLN H A 1 ASN HBy 1.0 . 4.15 1886 1727 A 2 GLN HE2y A 60 PRO HDy 1.0 . 4.90 1887 1727 A 2 GLN HE2y A 60 PRO HDx 1.0 . 4.90 1888 1728 A 6 ALA H A 24 ASP HBx 1.0 . 4.21 1889 1728 A 6 ALA H A 24 ASP HBy 1.0 . 4.21 1890 1729 A 6 ALA HA A 20 LEU HDy% 1.0 . 4.01 1891 1729 A 6 ALA HA A 20 LEU HDx% 1.0 . 4.01 1892 1730 A 6 ALA HB% A 20 LEU HDy% 1.0 . 2.89 1893 1730 A 6 ALA HB% A 20 LEU HDx% 1.0 . 2.89 1894 1731 A 6 ALA HB% A 24 ASP HBx 1.0 . 3.34 1895 1731 A 6 ALA HB% A 24 ASP HBy 1.0 . 3.34 1896 1732 A 7 LEU H A 20 LEU HDy% 1.0 . 4.96 1897 1732 A 7 LEU H A 20 LEU HDx% 1.0 . 4.96 1898 1733 A 7 LEU HG A 20 LEU HDy% 1.0 . 5.44 1899 1733 A 7 LEU HG A 20 LEU HDx% 1.0 . 5.44 1900 1734 A 8 TYR H A 20 LEU HDy% 1.0 . 4.61 1901 1734 A 8 TYR H A 20 LEU HDx% 1.0 . 4.61 1902 1735 A 8 TYR HBy B 3 PRO HDy 1.0 . 4.74 1903 1735 A 8 TYR HBy B 3 PRO HDx 1.0 . 4.74 1904 1736 A 8 TYR HBx B 3 PRO HDy 1.0 . 5.04 1905 1736 A 8 TYR HBx B 3 PRO HDx 1.0 . 5.04 1906 1737 A 8 TYR HD% B 3 PRO HDy 1.0 . 4.50 1907 1737 A 8 TYR HD% B 3 PRO HDx 1.0 . 4.50 1908 1738 A 9 ASP H A 9 ASP HBx 1.0 . 2.78 1909 1738 A 9 ASP H A 9 ASP HBy 1.0 . 2.78 1910 1739 A 10 PHE H A 9 ASP HBx 1.0 . 3.30 1911 1739 A 10 PHE H A 9 ASP HBy 1.0 . 3.30 1912 1740 A 21 ALA HA A 9 ASP HBx 1.0 . 4.07 1913 1740 A 21 ALA HA A 9 ASP HBy 1.0 . 4.07 1914 1741 A 21 ALA HB% A 9 ASP HBx 1.0 . 4.70 1915 1741 A 21 ALA HB% A 9 ASP HBy 1.0 . 4.70 1916 1742 A 22 GLU H A 9 ASP HBx 1.0 . 3.81 1917 1742 A 22 GLU H A 9 ASP HBy 1.0 . 3.81 1918 1743 A 10 PHE H A 20 LEU HDy% 1.0 . 4.36 1919 1743 A 10 PHE H A 20 LEU HDx% 1.0 . 4.36 1920 1744 A 10 PHE HBy A 20 LEU HDy% 1.0 . 4.47 1921 1744 A 10 PHE HBy A 20 LEU HDx% 1.0 . 4.47 1922 1745 A 10 PHE HBx A 20 LEU HDy% 1.0 . 3.81 1923 1745 A 10 PHE HBx A 20 LEU HDx% 1.0 . 3.81 1924 1746 A 10 PHE HD% A 20 LEU HDy% 1.0 . 4.79 1925 1746 A 10 PHE HD% A 20 LEU HDx% 1.0 . 4.79 1926 1747 A 10 PHE HD% A 50 VAL HGx% 1.0 . 4.22 1927 1747 A 10 PHE HD% A 50 VAL HGy% 1.0 . 4.22 1928 1748 A 10 PHE HE% A 50 VAL HGx% 1.0 . 5.05 1929 1748 A 10 PHE HE% A 50 VAL HGy% 1.0 . 5.05 1930 1749 A 11 GLU HA A 19 ARG HGx 1.0 . 4.40 1931 1749 A 11 GLU HA A 19 ARG HGy 1.0 . 4.40 1932 1750 A 12 PRO HA A 11 GLU HGx 1.0 . 5.34 1933 1750 A 12 PRO HA A 11 GLU HGy 1.0 . 5.34 1934 1751 A 12 PRO HGy A 11 GLU HGx 1.0 . 3.68 1935 1751 A 12 PRO HGy A 11 GLU HGy 1.0 . 3.68 1936 1752 A 12 PRO HGx A 11 GLU HGx 1.0 . 4.51 1937 1752 A 12 PRO HGx A 11 GLU HGy 1.0 . 4.51 1938 1753 A 12 PRO HDy A 11 GLU HGx 1.0 . 4.12 1939 1753 A 12 PRO HDy A 11 GLU HGy 1.0 . 4.12 1940 1754 A 12 PRO HDx A 11 GLU HGx 1.0 . 4.56 1941 1754 A 12 PRO HDx A 11 GLU HGy 1.0 . 4.56 1942 1755 A 12 PRO HGy A 19 ARG HGx 1.0 . 3.99 1943 1755 A 12 PRO HGy A 19 ARG HGy 1.0 . 3.99 1944 1756 A 12 PRO HGx A 19 ARG HGx 1.0 . 3.21 1945 1756 A 12 PRO HGx A 19 ARG HGy 1.0 . 3.21 1946 1757 A 12 PRO HGx A 19 ARG HDx 1.0 . 3.98 1947 1757 A 12 PRO HGx A 19 ARG HDy 1.0 . 3.98 1948 1758 A 12 PRO HDy A 19 ARG HGx 1.0 . 3.98 1949 1758 A 12 PRO HDy A 19 ARG HGy 1.0 . 3.98 1950 1759 A 12 PRO HDx A 19 ARG HGx 1.0 . 3.94 1951 1759 A 12 PRO HDx A 19 ARG HGy 1.0 . 3.94 1952 1760 A 12 PRO HDx A 19 ARG HDx 1.0 . 4.48 1953 1760 A 12 PRO HDx A 19 ARG HDy 1.0 . 4.48 1954 1761 A 13 GLU H A 13 GLU HBy 1.0 . 2.95 1955 1761 A 13 GLU H A 13 GLU HBx 1.0 . 2.95 1956 1762 A 13 GLU H A 13 GLU HGx 1.0 . 3.99 1957 1762 A 13 GLU H A 13 GLU HGy 1.0 . 3.99 1958 1763 A 13 GLU H A 17 GLU HGx 1.0 . 5.34 1959 1763 A 13 GLU H A 17 GLU HGy 1.0 . 5.34 1960 1764 A 13 GLU HA A 13 GLU HGx 1.0 . 3.26 1961 1764 A 13 GLU HA A 13 GLU HGy 1.0 . 3.26 1962 1765 A 14 ASN H A 13 GLU HBy 1.0 . 3.45 1963 1765 A 14 ASN H A 13 GLU HBx 1.0 . 3.45 1964 1766 A 14 ASN HD2x A 13 GLU HBy 1.0 . 3.76 1965 1766 A 14 ASN HD2x A 13 GLU HBx 1.0 . 3.76 1966 1767 A 14 ASN HD2y A 13 GLU HBy 1.0 . 4.10 1967 1767 A 14 ASN HD2y A 13 GLU HBx 1.0 . 4.10 1968 1768 A 14 ASN H A 17 GLU HGx 1.0 . 3.16 1969 1768 A 14 ASN H A 17 GLU HGy 1.0 . 3.16 1970 1769 A 14 ASN HBy A 17 GLU HGx 1.0 . 4.60 1971 1769 A 14 ASN HBy A 17 GLU HGy 1.0 . 4.60 1972 1770 A 14 ASN HBx A 17 GLU HGx 1.0 . 5.18 1973 1770 A 14 ASN HBx A 17 GLU HGy 1.0 . 5.18 1974 1771 A 14 ASN HD2x A 17 GLU HGx 1.0 . 3.88 1975 1771 A 14 ASN HD2x A 17 GLU HGy 1.0 . 3.88 1976 1772 A 14 ASN HD2x B -3 ARG HGx 1.0 . 5.05 1977 1772 A 14 ASN HD2x B -3 ARG HGy 1.0 . 5.05 1978 1773 A 14 ASN HD2x B -3 ARG HDx 1.0 . 4.09 1979 1773 A 14 ASN HD2x B -3 ARG HDy 1.0 . 4.09 1980 1774 A 14 ASN HD2y A 17 GLU HGx 1.0 . 4.85 1981 1774 A 14 ASN HD2y A 17 GLU HGy 1.0 . 4.85 1982 1775 A 14 ASN HD2y B -3 ARG HGx 1.0 . 4.82 1983 1775 A 14 ASN HD2y B -3 ARG HGy 1.0 . 4.82 1984 1776 A 14 ASN HD2y B -3 ARG HDx 1.0 . 3.80 1985 1776 A 14 ASN HD2y B -3 ARG HDy 1.0 . 3.80 1986 1777 A 16 ASN H A 17 GLU HGx 1.0 . 3.85 1987 1777 A 16 ASN H A 17 GLU HGy 1.0 . 3.85 1988 1778 A 16 ASN HBy A 49 LEU HDy% 1.0 . 4.38 1989 1778 A 16 ASN HBy A 49 LEU HDx% 1.0 . 4.38 1990 1779 A 16 ASN HBx A 49 LEU HDy% 1.0 . 4.82 1991 1779 A 16 ASN HBx A 49 LEU HDx% 1.0 . 4.82 1992 1780 A 16 ASN HD2x A 17 GLU HGx 1.0 . 4.38 1993 1780 A 16 ASN HD2x A 17 GLU HGy 1.0 . 4.38 1994 1781 A 16 ASN HD2x A 49 LEU HDy% 1.0 . 3.72 1995 1781 A 16 ASN HD2x A 49 LEU HDx% 1.0 . 3.72 1996 1782 A 16 ASN HD2y A 49 LEU HDy% 1.0 . 4.17 1997 1782 A 16 ASN HD2y A 49 LEU HDx% 1.0 . 4.17 1998 1783 A 16 ASN HD2y B -5 PRO HDy 1.0 . 5.35 1999 1783 A 16 ASN HD2y B -5 PRO HDx 1.0 . 5.35 2000 1784 A 17 GLU H A 17 GLU HGx 1.0 . 3.25 2001 1784 A 17 GLU H A 17 GLU HGy 1.0 . 3.25 2002 1785 A 17 GLU H A 49 LEU HDy% 1.0 . 4.60 2003 1785 A 17 GLU H A 49 LEU HDx% 1.0 . 4.60 2004 1786 A 17 GLU HA A 17 GLU HGx 1.0 . 3.29 2005 1786 A 17 GLU HA A 17 GLU HGy 1.0 . 3.29 2006 1787 A 17 GLU HA A 49 LEU HDy% 1.0 . 4.51 2007 1787 A 17 GLU HA A 49 LEU HDx% 1.0 . 4.51 2008 1788 A 17 GLU HBx A 18 LEU HBx 1.0 . 5.02 2009 1788 A 17 GLU HBx A 18 LEU HBy 1.0 . 5.02 2010 1789 A 18 LEU H A 17 GLU HGx 1.0 . 4.01 2011 1789 A 18 LEU H A 17 GLU HGy 1.0 . 4.01 2012 1790 A 49 LEU H A 17 GLU HGx 1.0 . 4.32 2013 1790 A 49 LEU H A 17 GLU HGy 1.0 . 4.32 2014 1791 A 49 LEU HBy A 17 GLU HGx 1.0 . 4.52 2015 1791 A 49 LEU HBy A 17 GLU HGy 1.0 . 4.52 2016 1792 A 49 LEU HBx A 17 GLU HGx 1.0 . 4.91 2017 1792 A 49 LEU HBx A 17 GLU HGy 1.0 . 4.91 2018 1793 A 17 GLU HGy A 49 LEU HDy% 1.0 . 3.89 2019 1793 A 17 GLU HGx A 49 LEU HDy% 1.0 . 3.89 2020 1793 A 49 LEU HDx% A 17 GLU HGx 1.0 . 3.89 2021 1793 A 17 GLU HGy A 49 LEU HDx% 1.0 . 3.89 2022 1794 A 18 LEU H A 18 LEU HBx 1.0 . 2.79 2023 1794 A 18 LEU H A 18 LEU HBy 1.0 . 2.79 2024 1795 A 18 LEU H A 18 LEU HDy% 1.0 . 4.31 2025 1795 A 18 LEU H A 18 LEU HDx% 1.0 . 4.31 2026 1796 A 18 LEU H A 19 ARG HGx 1.0 . 5.34 2027 1796 A 18 LEU H A 19 ARG HGy 1.0 . 5.34 2028 1797 A 18 LEU H A 49 LEU HDy% 1.0 . 5.20 2029 1797 A 18 LEU H A 49 LEU HDx% 1.0 . 5.20 2030 1798 A 18 LEU H A 50 VAL HGx% 1.0 . 3.77 2031 1798 A 18 LEU H A 50 VAL HGy% 1.0 . 3.77 2032 1799 A 18 LEU HA A 18 LEU HDy% 1.0 . 2.91 2033 1799 A 18 LEU HA A 18 LEU HDx% 1.0 . 2.91 2034 1800 A 18 LEU HA A 50 VAL HGx% 1.0 . 4.66 2035 1800 A 18 LEU HA A 50 VAL HGy% 1.0 . 4.66 2036 1801 A 18 LEU HBx A 18 LEU HDy% 1.0 . 2.73 2037 1801 A 18 LEU HDx% A 18 LEU HBx 1.0 . 2.73 2038 1801 A 18 LEU HBy A 18 LEU HDx% 1.0 . 2.73 2039 1801 A 18 LEU HBy A 18 LEU HDy% 1.0 . 2.73 2040 1802 A 19 ARG H A 18 LEU HBx 1.0 . 4.00 2041 1802 A 19 ARG H A 18 LEU HBy 1.0 . 4.00 2042 1803 A 39 ALA HB% A 18 LEU HBx 1.0 . 4.82 2043 1803 A 39 ALA HB% A 18 LEU HBy 1.0 . 4.82 2044 1804 A 48 GLY H A 18 LEU HBx 1.0 . 4.31 2045 1804 A 48 GLY H A 18 LEU HBy 1.0 . 4.31 2046 1805 A 49 LEU H A 18 LEU HBx 1.0 . 4.15 2047 1805 A 49 LEU H A 18 LEU HBy 1.0 . 4.15 2048 1806 A 18 LEU HBy A 50 VAL HGx% 1.0 . 3.12 2049 1806 A 18 LEU HBx A 50 VAL HGx% 1.0 . 3.12 2050 1806 A 50 VAL HGy% A 18 LEU HBx 1.0 . 3.12 2051 1806 A 50 VAL HGy% A 18 LEU HBy 1.0 . 3.12 2052 1807 A 18 LEU HG A 50 VAL HGx% 1.0 . 4.71 2053 1807 A 18 LEU HG A 50 VAL HGy% 1.0 . 4.71 2054 1808 A 19 ARG H A 18 LEU HDy% 1.0 . 3.00 2055 1808 A 19 ARG H A 18 LEU HDx% 1.0 . 3.00 2056 1809 A 19 ARG HA A 18 LEU HDy% 1.0 . 4.85 2057 1809 A 19 ARG HA A 18 LEU HDx% 1.0 . 4.85 2058 1810 A 18 LEU HDy% A 20 LEU HDy% 1.0 . 4.88 2059 1810 A 18 LEU HDx% A 20 LEU HDy% 1.0 . 4.88 2060 1810 A 20 LEU HDx% A 18 LEU HDy% 1.0 . 4.88 2061 1810 A 20 LEU HDx% A 18 LEU HDx% 1.0 . 4.88 2062 1811 A 39 ALA H A 18 LEU HDy% 1.0 . 4.45 2063 1811 A 39 ALA H A 18 LEU HDx% 1.0 . 4.45 2064 1812 A 39 ALA HA A 18 LEU HDy% 1.0 . 5.44 2065 1812 A 39 ALA HA A 18 LEU HDx% 1.0 . 5.44 2066 1813 A 40 GLU H A 18 LEU HDy% 1.0 . 4.15 2067 1813 A 40 GLU H A 18 LEU HDx% 1.0 . 4.15 2068 1814 A 40 GLU HA A 18 LEU HDy% 1.0 . 3.78 2069 1814 A 40 GLU HA A 18 LEU HDx% 1.0 . 3.78 2070 1815 A 40 GLU HBy A 18 LEU HDy% 1.0 . 5.33 2071 1815 A 40 GLU HBy A 18 LEU HDx% 1.0 . 5.33 2072 1816 A 41 ASN H A 18 LEU HDy% 1.0 . 3.42 2073 1816 A 41 ASN H A 18 LEU HDx% 1.0 . 3.42 2074 1817 A 41 ASN HA A 18 LEU HDy% 1.0 . 4.24 2075 1817 A 41 ASN HA A 18 LEU HDx% 1.0 . 4.24 2076 1818 A 41 ASN HBx A 18 LEU HDy% 1.0 . 3.64 2077 1818 A 41 ASN HBx A 18 LEU HDx% 1.0 . 3.64 2078 1819 A 46 LYS HA A 18 LEU HDy% 1.0 . 5.08 2079 1819 A 46 LYS HA A 18 LEU HDx% 1.0 . 5.08 2080 1820 A 46 LYS HBy A 18 LEU HDy% 1.0 . 4.12 2081 1820 A 46 LYS HBy A 18 LEU HDx% 1.0 . 4.12 2082 1821 A 46 LYS HBx A 18 LEU HDy% 1.0 . 4.28 2083 1821 A 46 LYS HBx A 18 LEU HDx% 1.0 . 4.28 2084 1822 A 46 LYS HGy A 18 LEU HDy% 1.0 . 3.67 2085 1822 A 46 LYS HGy A 18 LEU HDx% 1.0 . 3.67 2086 1823 A 46 LYS HGx A 18 LEU HDy% 1.0 . 3.52 2087 1823 A 46 LYS HGx A 18 LEU HDx% 1.0 . 3.52 2088 1824 A 18 LEU HDx% A 46 LYS HDx 1.0 . 2.95 2089 1824 A 18 LEU HDy% A 46 LYS HDx 1.0 . 2.95 2090 1824 A 46 LYS HDy A 18 LEU HDy% 1.0 . 2.95 2091 1824 A 46 LYS HDy A 18 LEU HDx% 1.0 . 2.95 2092 1825 A 18 LEU HDx% A 46 LYS HEx 1.0 . 3.70 2093 1825 A 46 LYS HEy A 18 LEU HDy% 1.0 . 3.70 2094 1825 A 46 LYS HEy A 18 LEU HDx% 1.0 . 3.70 2095 1825 A 18 LEU HDy% A 46 LYS HEx 1.0 . 3.70 2096 1826 A 47 THR H A 18 LEU HDy% 1.0 . 4.75 2097 1826 A 47 THR H A 18 LEU HDx% 1.0 . 4.75 2098 1827 A 47 THR HA A 18 LEU HDy% 1.0 . 3.71 2099 1827 A 47 THR HA A 18 LEU HDx% 1.0 . 3.71 2100 1828 A 47 THR HG2% A 18 LEU HDy% 1.0 . 3.98 2101 1828 A 47 THR HG2% A 18 LEU HDx% 1.0 . 3.98 2102 1829 A 48 GLY H A 18 LEU HDy% 1.0 . 3.44 2103 1829 A 48 GLY H A 18 LEU HDx% 1.0 . 3.44 2104 1830 A 49 LEU H A 18 LEU HDy% 1.0 . 5.41 2105 1830 A 49 LEU H A 18 LEU HDx% 1.0 . 5.41 2106 1831 A 18 LEU HDy% A 50 VAL HGx% 1.0 . 3.11 2107 1831 A 18 LEU HDx% A 50 VAL HGx% 1.0 . 3.11 2108 1831 A 50 VAL HGy% A 18 LEU HDy% 1.0 . 3.11 2109 1831 A 50 VAL HGy% A 18 LEU HDx% 1.0 . 3.11 2110 1832 A 19 ARG H A 19 ARG HGx 1.0 . 3.17 2111 1832 A 19 ARG H A 19 ARG HGy 1.0 . 3.17 2112 1833 A 19 ARG H A 19 ARG HDx 1.0 . 4.20 2113 1833 A 19 ARG H A 19 ARG HDy 1.0 . 4.20 2114 1834 A 19 ARG H A 50 VAL HGx% 1.0 . 4.62 2115 1834 A 19 ARG H A 50 VAL HGy% 1.0 . 4.62 2116 1835 A 19 ARG HBx A 19 ARG HDx 1.0 . 3.33 2117 1835 A 19 ARG HBx A 19 ARG HDy 1.0 . 3.33 2118 1836 A 20 LEU H A 20 LEU HDy% 1.0 . 4.42 2119 1836 A 20 LEU H A 20 LEU HDx% 1.0 . 4.42 2120 1837 A 20 LEU HA A 20 LEU HDy% 1.0 . 3.02 2121 1837 A 20 LEU HA A 20 LEU HDx% 1.0 . 3.02 2122 1838 A 20 LEU HA A 24 ASP HBx 1.0 . 4.26 2123 1838 A 20 LEU HA A 24 ASP HBy 1.0 . 4.26 2124 1839 A 20 LEU HBy A 50 VAL HGx% 1.0 . 4.17 2125 1839 A 20 LEU HBy A 50 VAL HGy% 1.0 . 4.17 2126 1840 A 20 LEU HG A 24 ASP HBx 1.0 . 5.34 2127 1840 A 20 LEU HG A 24 ASP HBy 1.0 . 5.34 2128 1841 A 20 LEU HG A 50 VAL HGx% 1.0 . 4.34 2129 1841 A 20 LEU HG A 50 VAL HGy% 1.0 . 4.34 2130 1842 A 21 ALA H A 20 LEU HDy% 1.0 . 3.32 2131 1842 A 21 ALA H A 20 LEU HDx% 1.0 . 3.32 2132 1843 A 21 ALA HA A 20 LEU HDy% 1.0 . 5.27 2133 1843 A 21 ALA HA A 20 LEU HDx% 1.0 . 5.27 2134 1844 A 24 ASP HA A 20 LEU HDy% 1.0 . 5.44 2135 1844 A 24 ASP HA A 20 LEU HDx% 1.0 . 5.44 2136 1845 A 20 LEU HDx% A 24 ASP HBx 1.0 . 3.70 2137 1845 A 20 LEU HDy% A 24 ASP HBx 1.0 . 3.70 2138 1845 A 24 ASP HBy A 20 LEU HDy% 1.0 . 3.70 2139 1845 A 24 ASP HBy A 20 LEU HDx% 1.0 . 3.70 2140 1846 A 26 VAL HA A 20 LEU HDy% 1.0 . 5.33 2141 1846 A 26 VAL HA A 20 LEU HDx% 1.0 . 5.33 2142 1847 A 26 VAL HGx% A 20 LEU HDy% 1.0 . 2.85 2143 1847 A 26 VAL HGx% A 20 LEU HDx% 1.0 . 2.85 2144 1848 A 26 VAL HGy% A 20 LEU HDy% 1.0 . 3.40 2145 1848 A 26 VAL HGy% A 20 LEU HDx% 1.0 . 3.40 2146 1849 A 39 ALA HB% A 20 LEU HDy% 1.0 . 4.15 2147 1849 A 39 ALA HB% A 20 LEU HDx% 1.0 . 4.15 2148 1850 A 41 ASN HA A 20 LEU HDy% 1.0 . 5.44 2149 1850 A 41 ASN HA A 20 LEU HDx% 1.0 . 5.44 2150 1851 A 50 VAL H A 20 LEU HDy% 1.0 . 5.44 2151 1851 A 50 VAL H A 20 LEU HDx% 1.0 . 5.44 2152 1852 A 50 VAL HA A 20 LEU HDy% 1.0 . 4.60 2153 1852 A 50 VAL HA A 20 LEU HDx% 1.0 . 4.60 2154 1853 A 50 VAL HB A 20 LEU HDy% 1.0 . 4.17 2155 1853 A 50 VAL HB A 20 LEU HDx% 1.0 . 4.17 2156 1854 A 20 LEU HDx% A 50 VAL HGx% 1.0 . 2.99 2157 1854 A 20 LEU HDy% A 50 VAL HGx% 1.0 . 2.99 2158 1854 A 50 VAL HGy% A 20 LEU HDy% 1.0 . 2.99 2159 1854 A 20 LEU HDx% A 50 VAL HGy% 1.0 . 2.99 2160 1855 A 51 PRO HDy A 20 LEU HDy% 1.0 . 3.92 2161 1855 A 51 PRO HDy A 20 LEU HDx% 1.0 . 3.92 2162 1856 A 54 PHE H A 20 LEU HDy% 1.0 . 4.93 2163 1856 A 54 PHE H A 20 LEU HDx% 1.0 . 4.93 2164 1857 A 54 PHE HBy A 20 LEU HDy% 1.0 . 4.13 2165 1857 A 54 PHE HBy A 20 LEU HDx% 1.0 . 4.13 2166 1858 A 54 PHE HBx A 20 LEU HDy% 1.0 . 3.95 2167 1858 A 54 PHE HBx A 20 LEU HDx% 1.0 . 3.95 2168 1859 A 54 PHE HD% A 20 LEU HDy% 1.0 . 3.85 2169 1859 A 54 PHE HD% A 20 LEU HDx% 1.0 . 3.85 2170 1860 A 55 VAL H A 20 LEU HDy% 1.0 . 4.69 2171 1860 A 55 VAL H A 20 LEU HDx% 1.0 . 4.69 2172 1861 A 55 VAL HA A 20 LEU HDy% 1.0 . 4.59 2173 1861 A 55 VAL HA A 20 LEU HDx% 1.0 . 4.59 2174 1862 A 55 VAL HGx% A 20 LEU HDy% 1.0 . 2.86 2175 1862 A 55 VAL HGx% A 20 LEU HDx% 1.0 . 2.86 2176 1863 A 21 ALA H A 24 ASP HBx 1.0 . 3.24 2177 1863 A 21 ALA H A 24 ASP HBy 1.0 . 3.24 2178 1864 A 23 GLY H A 24 ASP HBx 1.0 . 4.71 2179 1864 A 23 GLY H A 24 ASP HBy 1.0 . 4.71 2180 1865 A 24 ASP H A 24 ASP HBx 1.0 . 2.76 2181 1865 A 24 ASP H A 24 ASP HBy 1.0 . 2.76 2182 1866 A 25 ILE H A 24 ASP HBx 1.0 . 3.15 2183 1866 A 25 ILE H A 24 ASP HBy 1.0 . 3.15 2184 1867 A 25 ILE HA A 24 ASP HBx 1.0 . 5.34 2185 1867 A 25 ILE HA A 24 ASP HBy 1.0 . 5.34 2186 1868 A 26 VAL HGx% A 24 ASP HBx 1.0 . 3.94 2187 1868 A 26 VAL HGx% A 24 ASP HBy 1.0 . 3.94 2188 1869 A 26 VAL HGx% A 42 GLU HBy 1.0 . 5.34 2189 1869 A 26 VAL HGx% A 42 GLU HBx 1.0 . 5.34 2190 1870 A 26 VAL HGx% A 50 VAL HGx% 1.0 . 3.57 2191 1870 A 26 VAL HGx% A 50 VAL HGy% 1.0 . 3.57 2192 1871 A 26 VAL HGy% A 50 VAL HGx% 1.0 . 3.93 2193 1871 A 26 VAL HGy% A 50 VAL HGy% 1.0 . 3.93 2194 1872 A 27 PHE H A 40 GLU HGx 1.0 . 4.61 2195 1872 A 27 PHE H A 40 GLU HGy 1.0 . 4.61 2196 1873 A 27 PHE HD% A 40 GLU HGx 1.0 . 4.17 2197 1873 A 27 PHE HD% A 40 GLU HGy 1.0 . 4.17 2198 1874 A 28 ILE HG2% A 50 VAL HGx% 1.0 . 5.44 2199 1874 A 28 ILE HG2% A 50 VAL HGy% 1.0 . 5.44 2200 1875 A 28 ILE HD1% A 50 VAL HGx% 1.0 . 4.27 2201 1875 A 28 ILE HD1% A 50 VAL HGy% 1.0 . 4.27 2202 1876 A 32 HIS H A 49 LEU HDy% 1.0 . 5.44 2203 1876 A 32 HIS H A 49 LEU HDx% 1.0 . 5.44 2204 1877 A 32 HIS HBy A 49 LEU HDy% 1.0 . 4.55 2205 1877 A 32 HIS HBy A 49 LEU HDx% 1.0 . 4.55 2206 1878 A 32 HIS HBx A 49 LEU HDy% 1.0 . 4.68 2207 1878 A 32 HIS HBx A 49 LEU HDx% 1.0 . 4.68 2208 1879 A 32 HIS HD2 A 49 LEU HDy% 1.0 . 3.94 2209 1879 A 32 HIS HD2 A 49 LEU HDx% 1.0 . 3.94 2210 1880 A 32 HIS HD2 B -5 PRO HGx 1.0 . 3.66 2211 1880 A 32 HIS HD2 B -5 PRO HGy 1.0 . 3.66 2212 1881 A 32 HIS HD2 B -5 PRO HDy 1.0 . 3.70 2213 1881 A 32 HIS HD2 B -5 PRO HDx 1.0 . 3.70 2214 1882 A 34 GLN HE2y A 34 GLN HBx 1.0 . 4.07 2215 1882 A 34 GLN HBy A 34 GLN HE2y 1.0 . 4.07 2216 1882 A 34 GLN HBy A 34 GLN HE2x 1.0 . 4.07 2217 1882 A 34 GLN HE2x A 34 GLN HBx 1.0 . 4.07 2218 1883 A 35 GLY HAy A 52 GLU HGx 1.0 . 5.34 2219 1883 A 35 GLY HAy A 52 GLU HGy 1.0 . 5.34 2220 1884 A 35 GLY HAx A 52 GLU HBy 1.0 . 5.00 2221 1884 A 35 GLY HAx A 52 GLU HBx 1.0 . 5.00 2222 1885 A 36 TRP H A 49 LEU HDy% 1.0 . 5.31 2223 1885 A 36 TRP H A 49 LEU HDx% 1.0 . 5.31 2224 1886 A 36 TRP H A 52 GLU HBy 1.0 . 5.34 2225 1886 A 36 TRP H A 52 GLU HBx 1.0 . 5.34 2226 1887 A 36 TRP H B -5 PRO HGx 1.0 . 4.70 2227 1887 A 36 TRP H B -5 PRO HGy 1.0 . 4.70 2228 1888 A 36 TRP HA A 49 LEU HDy% 1.0 . 4.85 2229 1888 A 36 TRP HA A 49 LEU HDx% 1.0 . 4.85 2230 1889 A 36 TRP HBy A 49 LEU HDy% 1.0 . 3.91 2231 1889 A 36 TRP HBy A 49 LEU HDx% 1.0 . 3.91 2232 1890 A 36 TRP HBy B -5 PRO HGx 1.0 . 4.89 2233 1890 A 36 TRP HBy B -5 PRO HGy 1.0 . 4.89 2234 1891 A 36 TRP HBx A 49 LEU HDy% 1.0 . 3.53 2235 1891 A 36 TRP HBx A 49 LEU HDx% 1.0 . 3.53 2236 1892 A 36 TRP HBx B -5 PRO HGx 1.0 . 5.35 2237 1892 A 36 TRP HBx B -5 PRO HGy 1.0 . 5.35 2238 1893 A 36 TRP HD1 A 49 LEU HDy% 1.0 . 4.76 2239 1893 A 36 TRP HD1 A 49 LEU HDx% 1.0 . 4.76 2240 1894 A 36 TRP HD1 B -5 PRO HBy 1.0 . 3.42 2241 1894 A 36 TRP HD1 B -5 PRO HBx 1.0 . 3.42 2242 1895 A 36 TRP HD1 B -5 PRO HGx 1.0 . 3.09 2243 1895 A 36 TRP HD1 B -5 PRO HGy 1.0 . 3.09 2244 1896 A 36 TRP HE3 A 49 LEU HDy% 1.0 . 4.26 2245 1896 A 36 TRP HE3 A 49 LEU HDx% 1.0 . 4.26 2246 1897 A 36 TRP HE1 B -5 PRO HBy 1.0 . 3.65 2247 1897 A 36 TRP HE1 B -5 PRO HBx 1.0 . 3.65 2248 1898 A 36 TRP HE1 B -5 PRO HGx 1.0 . 5.01 2249 1898 A 36 TRP HE1 B -5 PRO HGy 1.0 . 5.01 2250 1899 A 36 TRP HE1 B -3 ARG HBy 1.0 . 5.03 2251 1899 A 36 TRP HE1 B -3 ARG HBx 1.0 . 5.03 2252 1900 A 36 TRP HE1 B -3 ARG HGx 1.0 . 4.05 2253 1900 A 36 TRP HE1 B -3 ARG HGy 1.0 . 4.05 2254 1901 A 36 TRP HE1 B -2 PRO HDy 1.0 . 5.35 2255 1901 A 36 TRP HE1 B -2 PRO HDx 1.0 . 5.35 2256 1902 A 36 TRP HZ3 A 50 VAL HGx% 1.0 . 4.65 2257 1902 A 36 TRP HZ3 A 50 VAL HGy% 1.0 . 4.65 2258 1903 A 36 TRP HZ2 B -3 ARG HBy 1.0 . 5.34 2259 1903 A 36 TRP HZ2 B -3 ARG HBx 1.0 . 5.34 2260 1904 A 36 TRP HZ2 B -3 ARG HGx 1.0 . 3.55 2261 1904 A 36 TRP HZ2 B -3 ARG HGy 1.0 . 3.55 2262 1905 A 36 TRP HZ2 B -3 ARG HDx 1.0 . 5.10 2263 1905 A 36 TRP HZ2 B -3 ARG HDy 1.0 . 5.10 2264 1906 A 36 TRP HH2 B -3 ARG HGx 1.0 . 5.34 2265 1906 A 36 TRP HH2 B -3 ARG HGy 1.0 . 5.34 2266 1907 A 37 LEU H A 49 LEU HDy% 1.0 . 4.37 2267 1907 A 37 LEU H A 49 LEU HDx% 1.0 . 4.37 2268 1908 A 37 LEU H A 50 VAL HGx% 1.0 . 4.52 2269 1908 A 37 LEU H A 50 VAL HGy% 1.0 . 4.52 2270 1909 A 37 LEU HA A 49 LEU HDy% 1.0 . 4.66 2271 1909 A 37 LEU HA A 49 LEU HDx% 1.0 . 4.66 2272 1910 A 37 LEU HBy A 50 VAL HGx% 1.0 . 3.77 2273 1910 A 37 LEU HBy A 50 VAL HGy% 1.0 . 3.77 2274 1911 A 37 LEU HBx A 50 VAL HGx% 1.0 . 4.71 2275 1911 A 37 LEU HBx A 50 VAL HGy% 1.0 . 4.71 2276 1912 A 37 LEU HBx A 52 GLU HGx 1.0 . 5.34 2277 1912 A 37 LEU HBx A 52 GLU HGy 1.0 . 5.34 2278 1913 A 37 LEU HG A 52 GLU HGx 1.0 . 4.55 2279 1913 A 37 LEU HG A 52 GLU HGy 1.0 . 4.55 2280 1914 A 37 LEU HDx% A 52 GLU HBy 1.0 . 3.69 2281 1914 A 37 LEU HDx% A 52 GLU HBx 1.0 . 3.69 2282 1915 A 37 LEU HDx% A 52 GLU HGx 1.0 . 3.52 2283 1915 A 37 LEU HDx% A 52 GLU HGy 1.0 . 3.52 2284 1916 A 37 LEU HDy% A 49 LEU HDy% 1.0 . 5.28 2285 1916 A 37 LEU HDy% A 49 LEU HDx% 1.0 . 5.28 2286 1917 A 37 LEU HDy% A 52 GLU HBy 1.0 . 3.41 2287 1917 A 37 LEU HDy% A 52 GLU HBx 1.0 . 3.41 2288 1918 A 37 LEU HDy% A 52 GLU HGx 1.0 . 3.49 2289 1918 A 37 LEU HDy% A 52 GLU HGy 1.0 . 3.49 2290 1919 A 38 VAL H A 49 LEU HDy% 1.0 . 4.20 2291 1919 A 38 VAL H A 49 LEU HDx% 1.0 . 4.20 2292 1920 A 38 VAL HA A 49 LEU HDy% 1.0 . 3.74 2293 1920 A 38 VAL HA A 49 LEU HDx% 1.0 . 3.74 2294 1921 A 38 VAL HA A 50 VAL HGx% 1.0 . 5.44 2295 1921 A 38 VAL HA A 50 VAL HGy% 1.0 . 5.44 2296 1922 A 38 VAL HB A 50 VAL HGx% 1.0 . 5.44 2297 1922 A 38 VAL HB A 50 VAL HGy% 1.0 . 5.44 2298 1923 A 38 VAL HGy% A 49 LEU HDy% 1.0 . 3.10 2299 1923 A 38 VAL HGy% A 49 LEU HDx% 1.0 . 3.10 2300 1924 A 39 ALA H A 50 VAL HGx% 1.0 . 3.99 2301 1924 A 39 ALA H A 50 VAL HGy% 1.0 . 3.99 2302 1925 A 39 ALA HA A 50 VAL HGx% 1.0 . 5.44 2303 1925 A 39 ALA HA A 50 VAL HGy% 1.0 . 5.44 2304 1926 A 40 GLU H A 40 GLU HGx 1.0 . 3.59 2305 1926 A 40 GLU H A 40 GLU HGy 1.0 . 3.59 2306 1927 A 40 GLU HA A 40 GLU HGx 1.0 . 3.70 2307 1927 A 40 GLU HA A 40 GLU HGy 1.0 . 3.70 2308 1928 A 41 ASN H A 40 GLU HGx 1.0 . 3.54 2309 1928 A 41 ASN H A 40 GLU HGy 1.0 . 3.54 2310 1929 A 42 GLU HA A 40 GLU HGx 1.0 . 4.69 2311 1929 A 42 GLU HA A 40 GLU HGy 1.0 . 4.69 2312 1930 A 44 GLY H A 40 GLU HGx 1.0 . 4.55 2313 1930 A 44 GLY H A 40 GLU HGy 1.0 . 4.55 2314 1931 A 44 GLY HAy A 40 GLU HGx 1.0 . 4.36 2315 1931 A 44 GLY HAy A 40 GLU HGy 1.0 . 4.36 2316 1932 A 44 GLY HAx A 40 GLU HGx 1.0 . 5.27 2317 1932 A 44 GLY HAx A 40 GLU HGy 1.0 . 5.27 2318 1933 A 47 THR HG2% A 40 GLU HGx 1.0 . 4.16 2319 1933 A 47 THR HG2% A 40 GLU HGy 1.0 . 4.16 2320 1934 A 41 ASN H A 41 ASN HD2x 1.0 . 3.86 2321 1934 A 41 ASN H A 41 ASN HD2y 1.0 . 3.86 2322 1935 A 41 ASN HD2x A 42 GLU H 1.0 . 4.06 2323 1935 A 42 GLU H A 41 ASN HD2y 1.0 . 4.06 2324 1936 A 41 ASN HD2x A 43 SER H 1.0 . 3.99 2325 1936 A 41 ASN HD2y A 43 SER H 1.0 . 3.99 2326 1937 A 41 ASN HD2x A 44 GLY H 1.0 . 3.67 2327 1937 A 44 GLY H A 41 ASN HD2y 1.0 . 3.67 2328 1938 A 41 ASN HD2x A 45 SER H 1.0 . 3.19 2329 1938 A 41 ASN HD2y A 45 SER H 1.0 . 3.19 2330 1939 A 46 LYS H A 41 ASN HD2x 1.0 . 2.81 2331 1939 A 46 LYS H A 41 ASN HD2y 1.0 . 2.81 2332 1940 A 42 GLU H A 42 GLU HBy 1.0 . 2.97 2333 1940 A 42 GLU H A 42 GLU HBx 1.0 . 2.97 2334 1941 A 43 SER H A 42 GLU HBy 1.0 . 3.32 2335 1941 A 43 SER H A 42 GLU HBx 1.0 . 3.32 2336 1942 A 43 SER HA A 42 GLU HBy 1.0 . 5.34 2337 1942 A 42 GLU HBx A 43 SER HA 1.0 . 5.34 2338 1943 A 44 GLY H A 42 GLU HBy 1.0 . 5.34 2339 1943 A 44 GLY H A 42 GLU HBx 1.0 . 5.34 2340 1944 A 43 SER H A 43 SER HBx 1.0 . 3.05 2341 1944 A 43 SER H A 43 SER HBy 1.0 . 3.05 2342 1945 A 43 SER HA A 43 SER HBx 1.0 . 2.63 2343 1945 A 43 SER HA A 43 SER HBy 1.0 . 2.63 2344 1946 A 44 GLY H A 43 SER HBx 1.0 . 3.45 2345 1946 A 44 GLY H A 43 SER HBy 1.0 . 3.45 2346 1947 A 45 SER H A 43 SER HBx 1.0 . 3.89 2347 1947 A 45 SER H A 43 SER HBy 1.0 . 3.89 2348 1948 A 46 LYS H A 43 SER HBx 1.0 . 4.57 2349 1948 A 46 LYS H A 43 SER HBy 1.0 . 4.57 2350 1949 A 45 SER H A 45 SER HBx 1.0 . 3.00 2351 1949 A 45 SER H A 45 SER HBy 1.0 . 3.00 2352 1950 A 46 LYS H A 45 SER HBx 1.0 . 3.52 2353 1950 A 46 LYS H A 45 SER HBy 1.0 . 3.52 2354 1951 A 48 GLY HAy A 49 LEU HDy% 1.0 . 5.06 2355 1951 A 48 GLY HAx A 49 LEU HDy% 1.0 . 5.06 2356 1951 A 49 LEU HDx% A 48 GLY HAx 1.0 . 5.06 2357 1951 A 48 GLY HAy A 49 LEU HDx% 1.0 . 5.06 2358 1952 A 48 GLY HAx A 50 VAL HGx% 1.0 . 5.04 2359 1952 A 50 VAL HGy% A 48 GLY HAx 1.0 . 5.04 2360 1952 A 48 GLY HAy A 50 VAL HGy% 1.0 . 5.04 2361 1952 A 48 GLY HAy A 50 VAL HGx% 1.0 . 5.04 2362 1953 A 49 LEU H A 49 LEU HDy% 1.0 . 3.45 2363 1953 A 49 LEU H A 49 LEU HDx% 1.0 . 3.45 2364 1954 A 49 LEU H A 50 VAL HGx% 1.0 . 5.16 2365 1954 A 49 LEU H A 50 VAL HGy% 1.0 . 5.16 2366 1955 A 49 LEU HA A 49 LEU HDy% 1.0 . 3.24 2367 1955 A 49 LEU HA A 49 LEU HDx% 1.0 . 3.24 2368 1956 A 49 LEU HBy A 49 LEU HDy% 1.0 . 3.13 2369 1956 A 49 LEU HBy A 49 LEU HDx% 1.0 . 3.13 2370 1957 A 49 LEU HBx A 50 VAL HGx% 1.0 . 5.44 2371 1957 A 49 LEU HBx A 50 VAL HGy% 1.0 . 5.44 2372 1958 B -7 PHE HA A 49 LEU HDy% 1.0 . 3.91 2373 1958 B -7 PHE HA A 49 LEU HDx% 1.0 . 3.91 2374 1959 B -7 PHE HBy A 49 LEU HDy% 1.0 . 3.32 2375 1959 B -7 PHE HBy A 49 LEU HDx% 1.0 . 3.32 2376 1960 B -7 PHE HBx A 49 LEU HDy% 1.0 . 3.47 2377 1960 B -7 PHE HBx A 49 LEU HDx% 1.0 . 3.47 2378 1961 B -7 PHE HD% A 49 LEU HDy% 1.0 . 3.66 2379 1961 B -7 PHE HD% A 49 LEU HDx% 1.0 . 3.66 2380 1962 B -6 ILE HG2% A 49 LEU HDy% 1.0 . 4.45 2381 1962 B -6 ILE HG2% A 49 LEU HDx% 1.0 . 4.45 2382 1963 B -5 PRO HA A 49 LEU HDy% 1.0 . 3.12 2383 1963 B -5 PRO HA A 49 LEU HDx% 1.0 . 3.12 2384 1964 A 49 LEU HDy% B -5 PRO HBy 1.0 . 3.30 2385 1964 A 49 LEU HDx% B -5 PRO HBy 1.0 . 3.30 2386 1964 B -5 PRO HBx A 49 LEU HDy% 1.0 . 3.30 2387 1964 A 49 LEU HDx% B -5 PRO HBx 1.0 . 3.30 2388 1965 A 49 LEU HDx% B -5 PRO HGx 1.0 . 3.44 2389 1965 A 49 LEU HDy% B -5 PRO HGx 1.0 . 3.44 2390 1965 B -5 PRO HGy A 49 LEU HDy% 1.0 . 3.44 2391 1965 A 49 LEU HDx% B -5 PRO HGy 1.0 . 3.44 2392 1966 A 49 LEU HDx% B -5 PRO HDy 1.0 . 3.54 2393 1966 A 49 LEU HDy% B -5 PRO HDy 1.0 . 3.54 2394 1966 B -5 PRO HDx A 49 LEU HDy% 1.0 . 3.54 2395 1966 A 49 LEU HDx% B -5 PRO HDx 1.0 . 3.54 2396 1967 A 50 VAL H A 50 VAL HGx% 1.0 . 3.24 2397 1967 A 50 VAL H A 50 VAL HGy% 1.0 . 3.24 2398 1968 A 51 PRO HA A 50 VAL HGx% 1.0 . 5.44 2399 1968 A 51 PRO HA A 50 VAL HGy% 1.0 . 5.44 2400 1969 A 51 PRO HDy A 50 VAL HGx% 1.0 . 3.89 2401 1969 A 51 PRO HDy A 50 VAL HGy% 1.0 . 3.89 2402 1970 A 52 GLU H A 50 VAL HGx% 1.0 . 5.44 2403 1970 A 52 GLU H A 50 VAL HGy% 1.0 . 5.44 2404 1971 A 52 GLU HA A 50 VAL HGx% 1.0 . 4.96 2405 1971 A 52 GLU HA A 50 VAL HGy% 1.0 . 4.96 2406 1972 A 55 VAL HB A 50 VAL HGx% 1.0 . 5.44 2407 1972 A 55 VAL HB A 50 VAL HGy% 1.0 . 5.44 2408 1973 A 55 VAL HGx% A 50 VAL HGx% 1.0 . 4.19 2409 1973 A 55 VAL HGx% A 50 VAL HGy% 1.0 . 4.19 2410 1974 A 55 VAL HGy% A 50 VAL HGx% 1.0 . 5.07 2411 1974 A 55 VAL HGy% A 50 VAL HGy% 1.0 . 5.07 2412 1975 A 51 PRO HA A 52 GLU HBy 1.0 . 5.34 2413 1975 A 51 PRO HA A 52 GLU HBx 1.0 . 5.34 2414 1976 A 52 GLU H A 52 GLU HGx 1.0 . 4.17 2415 1976 A 52 GLU H A 52 GLU HGy 1.0 . 4.17 2416 1977 A 53 GLU H A 52 GLU HBy 1.0 . 3.22 2417 1977 A 53 GLU H A 52 GLU HBx 1.0 . 3.22 2418 1978 A 54 PHE H A 52 GLU HBy 1.0 . 4.64 2419 1978 A 54 PHE H A 52 GLU HBx 1.0 . 4.64 2420 1979 A 53 GLU H A 52 GLU HGx 1.0 . 4.74 2421 1979 A 53 GLU H A 52 GLU HGy 1.0 . 4.74 2422 1980 A 53 GLU H A 53 GLU HGx 1.0 . 3.98 2423 1980 A 53 GLU H A 53 GLU HGy 1.0 . 3.98 2424 1981 A 53 GLU HA A 53 GLU HGx 1.0 . 3.28 2425 1981 A 53 GLU HA A 53 GLU HGy 1.0 . 3.28 2426 1982 A 54 PHE H A 53 GLU HGx 1.0 . 5.34 2427 1982 A 54 PHE H A 53 GLU HGy 1.0 . 5.34 2428 1983 A 54 PHE HE% B 3 PRO HDy 1.0 . 4.00 2429 1983 A 54 PHE HE% B 3 PRO HDx 1.0 . 4.00 2430 1984 A 54 PHE HZ B 3 PRO HDy 1.0 . 4.15 2431 1984 A 54 PHE HZ B 3 PRO HDx 1.0 . 4.15 2432 1985 A 58 ILE HG2% A 59 GLN HBy 1.0 . 4.42 2433 1985 A 58 ILE HG2% A 59 GLN HBx 1.0 . 4.42 2434 1986 A 59 GLN H A 59 GLN HBy 1.0 . 3.25 2435 1986 A 59 GLN H A 59 GLN HBx 1.0 . 3.25 2436 1987 A 59 GLN HA A 62 LEU HDy% 1.0 . 5.44 2437 1987 A 59 GLN HA A 62 LEU HDx% 1.0 . 5.44 2438 1988 A 59 GLN HE2x A 59 GLN HBy 1.0 . 4.21 2439 1988 A 59 GLN HE2y A 59 GLN HBx 1.0 . 4.21 2440 1988 A 59 GLN HE2y A 59 GLN HBy 1.0 . 4.21 2441 1988 A 59 GLN HE2x A 59 GLN HBx 1.0 . 4.21 2442 1989 A 60 PRO HA A 59 GLN HBy 1.0 . 4.64 2443 1989 A 60 PRO HA A 59 GLN HBx 1.0 . 4.64 2444 1990 A 59 GLN HBx A 60 PRO HGx 1.0 . 3.71 2445 1990 A 60 PRO HGy A 59 GLN HBy 1.0 . 3.71 2446 1990 A 60 PRO HGy A 59 GLN HBx 1.0 . 3.71 2447 1990 A 59 GLN HBy A 60 PRO HGx 1.0 . 3.71 2448 1991 A 59 GLN HBx A 60 PRO HDy 1.0 . 3.16 2449 1991 A 59 GLN HBy A 60 PRO HDy 1.0 . 3.16 2450 1991 A 60 PRO HDx A 59 GLN HBy 1.0 . 3.16 2451 1991 A 60 PRO HDx A 59 GLN HBx 1.0 . 3.16 2452 1992 A 61 GLU H A 59 GLN HBy 1.0 . 4.31 2453 1992 A 61 GLU H A 59 GLN HBx 1.0 . 4.31 2454 1993 A 62 LEU H A 59 GLN HBy 1.0 . 4.22 2455 1993 A 62 LEU H A 59 GLN HBx 1.0 . 4.22 2456 1994 A 59 GLN HBx A 62 LEU HBy 1.0 . 4.38 2457 1994 A 59 GLN HBy A 62 LEU HBy 1.0 . 4.38 2458 1994 A 62 LEU HBx A 59 GLN HBy 1.0 . 4.38 2459 1994 A 59 GLN HBx A 62 LEU HBx 1.0 . 4.38 2460 1995 A 59 GLN HBy A 62 LEU HDy% 1.0 . 4.49 2461 1995 A 59 GLN HBx A 62 LEU HDy% 1.0 . 4.49 2462 1995 A 62 LEU HDx% A 59 GLN HBy 1.0 . 4.49 2463 1995 A 59 GLN HBx A 62 LEU HDx% 1.0 . 4.49 2464 1996 A 59 GLN HGy A 59 GLN HE2x 1.0 . 3.28 2465 1996 A 59 GLN HE2x A 59 GLN HGx 1.0 . 3.28 2466 1996 A 59 GLN HGy A 59 GLN HE2y 1.0 . 3.28 2467 1996 A 59 GLN HE2y A 59 GLN HGx 1.0 . 3.28 2468 1997 A 59 GLN HGx A 60 PRO HDy 1.0 . 3.98 2469 1997 A 59 GLN HGy A 60 PRO HDy 1.0 . 3.98 2470 1997 A 60 PRO HDx A 59 GLN HGx 1.0 . 3.98 2471 1997 A 59 GLN HGy A 60 PRO HDx 1.0 . 3.98 2472 1998 A 59 GLN HGx A 62 LEU HBy 1.0 . 5.04 2473 1998 A 59 GLN HGy A 62 LEU HBy 1.0 . 5.04 2474 1998 A 62 LEU HBx A 59 GLN HGx 1.0 . 5.04 2475 1998 A 59 GLN HGy A 62 LEU HBx 1.0 . 5.04 2476 1999 A 59 GLN HGx A 62 LEU HDy% 1.0 . 4.27 2477 1999 A 59 GLN HGy A 62 LEU HDy% 1.0 . 4.27 2478 1999 A 62 LEU HDx% A 59 GLN HGx 1.0 . 4.27 2479 1999 A 59 GLN HGy A 62 LEU HDx% 1.0 . 4.27 2480 2000 A 59 GLN HE2x A 62 LEU HDx% 1.0 . 4.41 2481 2000 A 59 GLN HE2y A 62 LEU HDy% 1.0 . 4.41 2482 2000 A 59 GLN HE2y A 62 LEU HDx% 1.0 . 4.41 2483 2000 A 59 GLN HE2x A 62 LEU HDy% 1.0 . 4.41 2484 2001 A 61 GLU H A 60 PRO HBy 1.0 . 3.29 2485 2001 A 61 GLU H A 60 PRO HBx 1.0 . 3.29 2486 2002 A 62 LEU H A 60 PRO HBy 1.0 . 5.04 2487 2002 A 62 LEU H A 60 PRO HBx 1.0 . 5.04 2488 2003 A 62 LEU HG A 60 PRO HBy 1.0 . 4.78 2489 2003 A 62 LEU HG A 60 PRO HBx 1.0 . 4.78 2490 2004 A 60 PRO HBy A 62 LEU HDy% 1.0 . 4.53 2491 2004 A 62 LEU HDx% A 60 PRO HBy 1.0 . 4.53 2492 2004 A 62 LEU HDx% A 60 PRO HBx 1.0 . 4.53 2493 2004 A 60 PRO HBx A 62 LEU HDy% 1.0 . 4.53 2494 2005 A 60 PRO HGx A 62 LEU HDy% 1.0 . 4.04 2495 2005 A 60 PRO HGy A 62 LEU HDy% 1.0 . 4.04 2496 2005 A 62 LEU HDx% A 60 PRO HGx 1.0 . 4.04 2497 2005 A 60 PRO HGy A 62 LEU HDx% 1.0 . 4.04 2498 2006 A 61 GLU H A 60 PRO HDy 1.0 . 4.11 2499 2006 A 61 GLU H A 60 PRO HDx 1.0 . 4.11 2500 2007 A 61 GLU H A 61 GLU HBy 1.0 . 3.05 2501 2007 A 61 GLU H A 61 GLU HBx 1.0 . 3.05 2502 2008 A 61 GLU HA A 61 GLU HGx 1.0 . 3.48 2503 2008 A 61 GLU HA A 61 GLU HGy 1.0 . 3.48 2504 2009 A 61 GLU HBy A 62 LEU HDy% 1.0 . 5.28 2505 2009 A 61 GLU HBx A 62 LEU HDy% 1.0 . 5.28 2506 2009 A 62 LEU HDx% A 61 GLU HBy 1.0 . 5.28 2507 2009 A 62 LEU HDx% A 61 GLU HBx 1.0 . 5.28 2508 2010 A 62 LEU H A 61 GLU HGx 1.0 . 5.34 2509 2010 A 62 LEU H A 61 GLU HGy 1.0 . 5.34 2510 2011 A 62 LEU H A 62 LEU HBy 1.0 . 3.12 2511 2011 A 62 LEU H A 62 LEU HBx 1.0 . 3.12 2512 2012 A 62 LEU H A 62 LEU HDy% 1.0 . 4.09 2513 2012 A 62 LEU H A 62 LEU HDx% 1.0 . 4.09 2514 2013 A 62 LEU HA A 62 LEU HDy% 1.0 . 3.37 2515 2013 A 62 LEU HA A 62 LEU HDx% 1.0 . 3.37 2516 2014 A 63 GLU H A 62 LEU HBy 1.0 . 3.67 2517 2014 A 63 GLU H A 62 LEU HBx 1.0 . 3.67 2518 2015 A 63 GLU HA A 62 LEU HBy 1.0 . 5.18 2519 2015 A 62 LEU HBx A 63 GLU HA 1.0 . 5.18 2520 2016 A 62 LEU HBx A 63 GLU HBx 1.0 . 5.34 2521 2016 A 62 LEU HBy A 63 GLU HBx 1.0 . 5.34 2522 2016 A 63 GLU HBy A 62 LEU HBy 1.0 . 5.34 2523 2016 A 63 GLU HBy A 62 LEU HBx 1.0 . 5.34 2524 2017 A 62 LEU HDy% A 63 GLU HBx 1.0 . 5.44 2525 2017 A 62 LEU HDx% A 63 GLU HBx 1.0 . 5.44 2526 2017 A 63 GLU HBy A 62 LEU HDy% 1.0 . 5.44 2527 2017 A 63 GLU HBy A 62 LEU HDx% 1.0 . 5.44 2528 2018 A 63 GLU H A 63 GLU HGy 1.0 . 4.22 2529 2018 A 63 GLU H A 63 GLU HGx 1.0 . 4.22 2530 2019 A 63 GLU HA A 63 GLU HGy 1.0 . 3.66 2531 2019 A 63 GLU HA A 63 GLU HGx 1.0 . 3.66 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 28 ILE H A 2 GLN O 1.0 . 2.0 2 2 A 2 GLN O A 28 ILE N 1.0 . 3.0 3 3 A 56 SER H A 5 VAL O 1.0 . 2.0 4 4 A 5 VAL O A 56 SER N 1.0 . 3.0 5 5 A 26 VAL H A 4 ALA O 1.0 . 2.0 6 6 A 4 ALA O A 26 VAL N 1.0 . 3.0 7 7 A 20 LEU H A 10 PHE O 1.0 . 2.0 8 8 A 10 PHE O A 20 LEU N 1.0 . 3.0 9 9 A 10 PHE H A 20 LEU O 1.0 . 2.0 10 10 A 20 LEU O A 10 PHE N 1.0 . 3.0 11 11 A 6 ALA H A 24 ASP O 1.0 . 2.0 12 12 A 24 ASP O A 6 ALA N 1.0 . 3.0 13 13 A 4 ALA H A 26 VAL O 1.0 . 2.0 14 14 A 26 VAL O A 4 ALA N 1.0 . 3.0 15 15 A 40 GLU H A 27 PHE O 1.0 . 2.0 16 16 A 27 PHE O A 40 GLU N 1.0 . 3.0 17 17 A 50 VAL H A 37 LEU O 1.0 . 2.0 18 18 A 37 LEU O A 50 VAL N 1.0 . 3.0 19 19 A 29 SER H A 38 VAL O 1.0 . 2.0 20 20 A 38 VAL O A 29 SER N 1.0 . 3.0 21 21 A 48 GLY H A 39 ALA O 1.0 . 2.0 22 22 A 39 ALA O A 48 GLY N 1.0 . 3.0 23 23 A 27 PHE H A 40 GLU O 1.0 . 2.0 24 24 A 40 GLU O A 27 PHE N 1.0 . 3.0 25 25 A 41 ASN H A 46 LYS O 1.0 . 2.0 26 26 A 46 LYS O A 41 ASN N 1.0 . 3.0 27 27 A 39 ALA H A 48 GLY O 1.0 . 2.0 28 28 A 48 GLY O A 39 ALA N 1.0 . 3.0 29 29 A 37 LEU H A 50 VAL O 1.0 . 2.0 30 30 A 50 VAL O A 37 LEU N 1.0 . 3.0 31 31 A 5 VAL H A 56 SER O 1.0 . 2.0 32 32 A 56 SER O A 5 VAL N 1.0 . 3.0 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 hbond _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 28 ILE H A 2 GLN O 1.0 . 1.8 2 2 A 2 GLN O A 28 ILE N 1.0 . 2.7 3 3 A 56 SER H A 5 VAL O 1.0 . 1.8 4 4 A 5 VAL O A 56 SER N 1.0 . 2.7 5 5 A 26 VAL H A 4 ALA O 1.0 . 1.8 6 6 A 4 ALA O A 26 VAL N 1.0 . 2.7 7 7 A 20 LEU H A 10 PHE O 1.0 . 1.8 8 8 A 10 PHE O A 20 LEU N 1.0 . 2.7 9 9 A 10 PHE H A 20 LEU O 1.0 . 1.8 10 10 A 20 LEU O A 10 PHE N 1.0 . 2.7 11 11 A 6 ALA H A 24 ASP O 1.0 . 1.8 12 12 A 24 ASP O A 6 ALA N 1.0 . 2.7 13 13 A 4 ALA H A 26 VAL O 1.0 . 1.8 14 14 A 26 VAL O A 4 ALA N 1.0 . 2.7 15 15 A 40 GLU H A 27 PHE O 1.0 . 1.8 16 16 A 27 PHE O A 40 GLU N 1.0 . 2.7 17 17 A 50 VAL H A 37 LEU O 1.0 . 1.8 18 18 A 37 LEU O A 50 VAL N 1.0 . 2.7 19 19 A 29 SER H A 38 VAL O 1.0 . 1.8 20 20 A 38 VAL O A 29 SER N 1.0 . 2.7 21 21 A 48 GLY H A 39 ALA O 1.0 . 1.8 22 22 A 39 ALA O A 48 GLY N 1.0 . 2.7 23 23 A 27 PHE H A 40 GLU O 1.0 . 1.8 24 24 A 40 GLU O A 27 PHE N 1.0 . 2.7 25 25 A 41 ASN H A 46 LYS O 1.0 . 1.8 26 26 A 46 LYS O A 41 ASN N 1.0 . 2.7 27 27 A 39 ALA H A 48 GLY O 1.0 . 1.8 28 28 A 48 GLY O A 39 ALA N 1.0 . 2.7 29 29 A 37 LEU H A 50 VAL O 1.0 . 1.8 30 30 A 50 VAL O A 37 LEU N 1.0 . 2.7 31 31 A 5 VAL H A 56 SER O 1.0 . 1.8 32 32 A 56 SER O A 5 VAL N 1.0 . 2.7 stop_ save_ save_DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_5 _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 -3 ALA C A -2 ILE N A -2 ILE CA A -2 ILE C 1.0 -153.6 -31.3 PHI 2 2 A 1 ASN C A 2 GLN N A 2 GLN CA A 2 GLN C 1.0 -185.1 -64.6 PHI 3 3 A 2 GLN C A 3 ARG N A 3 ARG CA A 3 ARG C 1.0 -170.4 -61.8 PHI 4 4 A 3 ARG C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -167.2 -112.5 PHI 5 5 A 4 ALA C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -158.9 -104.2 PHI 6 6 A 5 VAL C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -136.1 -58.1 PHI 7 7 A 7 LEU C A 8 TYR N A 8 TYR CA A 8 TYR C 1.0 -157.6 -99.1 PHI 8 8 A 9 ASP C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -162.3 -109.0 PHI 9 9 A 10 PHE C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -148.3 -83.3 PHI 10 10 A 13 GLU C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -182.7 -63.7 PHI 11 11 A 17 GLU C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -173.9 -73.6 PHI 12 12 A 18 LEU C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -126.4 -54.6 PHI 13 13 A 19 ARG C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -169.9 -68.9 PHI 14 14 A 20 LEU C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -176.4 -78.4 PHI 15 15 A 21 ALA C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -90.5 -33.5 PHI 16 16 A 22 GLU C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 85.8 106.5 PHI 17 17 A 24 ASP C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -122.1 -89.8 PHI 18 18 A 25 ILE C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -148.7 -117.3 PHI 19 19 A 26 VAL C A 27 PHE N A 27 PHE CA A 27 PHE C 1.0 -143.1 -97.2 PHI 20 20 A 27 PHE C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -135.9 -48.2 PHI 21 21 A 28 ILE C A 29 SER N A 29 SER CA A 29 SER C 1.0 -107.6 -66.1 PHI 22 22 A 29 SER C A 30 TYR N A 30 TYR CA A 30 TYR C 1.0 -186.0 -112.5 PHI 23 23 A 30 TYR C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -135.2 -65.1 PHI 24 24 A 31 LYS C A 32 HIS N A 32 HIS CA A 32 HIS C 1.0 -153.4 -23.0 PHI 25 25 A 34 GLN C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 49.6 119.7 PHI 26 26 A 35 GLY C A 36 TRP N A 36 TRP CA A 36 TRP C 1.0 -172.0 -72.6 PHI 27 27 A 36 TRP C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -170.6 -105.1 PHI 28 28 A 37 LEU C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -137.6 -49.5 PHI 29 29 A 38 VAL C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -156.9 -102.2 PHI 30 30 A 39 ALA C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -174.7 -91.0 PHI 31 31 A 40 GLU C A 41 ASN N A 41 ASN CA A 41 ASN C 1.0 -95.2 -55.1 PHI 32 32 A 41 ASN C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -77.7 -44.9 PHI 33 33 A 42 GLU C A 43 SER N A 43 SER CA A 43 SER C 1.0 -147.3 -49.4 PHI 34 34 A 43 SER C A 44 GLY N A 44 GLY CA A 44 GLY C 1.0 57.6 108.1 PHI 35 35 A 45 SER C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -177.2 -92.7 PHI 36 36 A 46 LYS C A 47 THR N A 47 THR CA A 47 THR C 1.0 -164.8 -97.8 PHI 37 37 A 48 GLY C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -131.3 -68.1 PHI 38 38 A 49 LEU C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -167.7 -92.2 PHI 39 39 A 52 GLU C A 53 GLU N A 53 GLU CA A 53 GLU C 1.0 -96.8 -43.9 PHI 40 40 A 54 PHE C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -152.6 -104.1 PHI 41 41 A 55 VAL C A 56 SER N A 56 SER CA A 56 SER C 1.0 -168.7 -64.9 PHI 42 42 A 57 TYR C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -140.8 -54.7 PHI 43 43 A 58 ILE C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -130.8 -46.2 PHI 44 44 B -2 PRO C B -1 ALA N B -1 ALA CA B -1 ALA C 1.0 -180.0 0.0 PHI 45 45 A -2 ILE N A -2 ILE CA A -2 ILE C A -1 VAL N 1.0 104.0 163.0 PSI 46 46 A 2 GLN N A 2 GLN CA A 2 GLN C A 3 ARG N 1.0 111.2 168.8 PSI 47 47 A 3 ARG N A 3 ARG CA A 3 ARG C A 4 ALA N 1.0 113.8 164.5 PSI 48 48 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 VAL N 1.0 136.4 173.0 PSI 49 49 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 ALA N 1.0 105.9 179.5 PSI 50 50 A 6 ALA N A 6 ALA CA A 6 ALA C A 7 LEU N 1.0 105.0 142.9 PSI 51 51 A 8 TYR N A 8 TYR CA A 8 TYR C A 9 ASP N 1.0 136.1 174.3 PSI 52 52 A 10 PHE N A 10 PHE CA A 10 PHE C A 11 GLU N 1.0 114.8 152.3 PSI 53 53 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 PRO N 1.0 79.2 156.2 PSI 54 54 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 ASP N 1.0 129.1 174.8 PSI 55 55 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 ARG N 1.0 88.1 164.1 PSI 56 56 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 LEU N 1.0 114.0 161.5 PSI 57 57 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 ALA N 1.0 107.7 163.9 PSI 58 58 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 GLU N 1.0 99.5 174.0 PSI 59 59 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 GLY N 1.0 119.8 140.5 PSI 60 60 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 ASP N 1.0 -36.0 4.2 PSI 61 61 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 VAL N 1.0 97.1 182.9 PSI 62 62 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 PHE N 1.0 136.9 189.1 PSI 63 63 A 27 PHE N A 27 PHE CA A 27 PHE C A 28 ILE N 1.0 104.8 157.4 PSI 64 64 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 SER N 1.0 56.5 165.3 PSI 65 65 A 29 SER N A 29 SER CA A 29 SER C A 30 TYR N 1.0 -59.8 -13.8 PSI 66 66 A 30 TYR N A 30 TYR CA A 30 TYR C A 31 LYS N 1.0 119.8 170.8 PSI 67 67 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 HIS N 1.0 100.5 169.5 PSI 68 68 A 32 HIS N A 32 HIS CA A 32 HIS C A 33 GLY N 1.0 99.0 158.3 PSI 69 69 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 TRP N 1.0 -33.5 44.0 PSI 70 70 A 36 TRP N A 36 TRP CA A 36 TRP C A 37 LEU N 1.0 125.2 174.6 PSI 71 71 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 VAL N 1.0 130.7 185.3 PSI 72 72 A 38 VAL N A 38 VAL CA A 38 VAL C A 39 ALA N 1.0 109.5 140.6 PSI 73 73 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 GLU N 1.0 130.1 181.1 PSI 74 74 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 ASN N 1.0 110.1 184.5 PSI 75 75 A 41 ASN N A 41 ASN CA A 41 ASN C A 42 GLU N 1.0 124.9 184.5 PSI 76 76 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 SER N 1.0 -54.3 -8.5 PSI 77 77 A 43 SER N A 43 SER CA A 43 SER C A 44 GLY N 1.0 -21.8 24.6 PSI 78 78 A 44 GLY N A 44 GLY CA A 44 GLY C A 45 SER N 1.0 -19.6 25.4 PSI 79 79 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 THR N 1.0 124.2 163.8 PSI 80 80 A 47 THR N A 47 THR CA A 47 THR C A 48 GLY N 1.0 105.0 178.7 PSI 81 81 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 VAL N 1.0 122.1 170.6 PSI 82 82 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 PRO N 1.0 147.2 174.8 PSI 83 83 A 53 GLU N A 53 GLU CA A 53 GLU C A 54 PHE N 1.0 -55.8 16.9 PSI 84 84 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 SER N 1.0 154.2 173.1 PSI 85 85 A 56 SER N A 56 SER CA A 56 SER C A 57 TYR N 1.0 109.5 164.7 PSI 86 86 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 GLN N 1.0 82.0 156.7 PSI 87 87 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 PRO N 1.0 76.5 189.9 PSI stop_ save_