data_nef_c17022_2kzx 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 1 MET start . . 2 A 2 LYS middle . . 3 A 3 ASP middle . . 4 A 4 GLY middle . false 5 A 5 THR middle . . 6 A 6 TYR middle . . 7 A 7 TYR middle . . 8 A 8 ALA middle . . 9 A 9 GLU middle . . 10 A 10 ALA middle . . 11 A 11 ASP middle . . 12 A 12 ASP middle . . 13 A 13 PHE middle . . 14 A 14 ASP middle . . 15 A 15 GLU middle . . 16 A 16 SER middle . . 17 A 17 GLY middle . false 18 A 18 TRP middle . . 19 A 19 LYS middle . . 20 A 20 ASP middle . . 21 A 21 THR middle . . 22 A 22 VAL middle . . 23 A 23 THR middle . . 24 A 24 ILE middle . . 25 A 25 GLU middle . . 26 A 26 VAL middle . . 27 A 27 LYS middle . . 28 A 28 ASN middle . . 29 A 29 GLY middle . false 30 A 30 LYS middle . . 31 A 31 ILE middle . . 32 A 32 VAL middle . . 33 A 33 SER middle . . 34 A 34 VAL middle . . 35 A 35 ASP middle . . 36 A 36 TRP middle . . 37 A 37 ASN middle . . 38 A 38 ALA middle . . 39 A 39 ILE middle . . 40 A 40 ASN middle . . 41 A 41 LYS middle . . 42 A 42 ASP middle . . 43 A 43 GLY middle . false 44 A 44 GLY middle . false 45 A 45 ASP middle . . 46 A 46 ASP middle . . 47 A 47 LYS middle . . 48 A 48 ASP middle . . 49 A 49 THR middle . . 50 A 50 LEU middle . . 51 A 51 SER middle . . 52 A 52 ARG middle . . 53 A 53 ASN middle . . 54 A 54 GLY middle . false 55 A 55 GLY middle . false 56 A 56 TYR middle . . 57 A 57 LYS middle . . 58 A 58 MET middle . . 59 A 59 VAL middle . . 60 A 60 GLU middle . . 61 A 61 TYR middle . . 62 A 62 GLY middle . false 63 A 63 GLY middle . false 64 A 64 ALA middle . . 65 A 65 GLN middle . . 66 A 66 ALA middle . . 67 A 67 GLU middle . . 68 A 68 TRP middle . . 69 A 69 HIS middle . . 70 A 70 GLU middle . . 71 A 71 GLN middle . . 72 A 72 ALA middle . . 73 A 73 GLU middle . . 74 A 74 LYS middle . . 75 A 75 VAL middle . . 76 A 76 GLU middle . . 77 A 77 ALA middle . . 78 A 78 TYR middle . . 79 A 79 LEU middle . . 80 A 80 VAL middle . . 81 A 81 GLU middle . . 82 A 82 LYS middle . . 83 A 83 GLN middle . . 84 A 84 ASP middle . . 85 A 85 PRO middle . false 86 A 86 THR middle . . 87 A 87 ASP middle . . 88 A 88 ILE middle . . 89 A 89 LYS middle . . 90 A 90 TYR middle . . 91 A 91 LYS middle . . 92 A 92 ASP middle . . 93 A 93 ASN middle . . 94 A 94 ASP middle . . 95 A 95 GLY middle . false 96 A 96 HIS middle . . 97 A 97 THR middle . . 98 A 98 ASP middle . . 99 A 99 ALA middle . . 100 A 100 ILE middle . . 101 A 101 SER middle . . 102 A 102 GLY middle . false 103 A 103 ALA middle . . 104 A 104 THR middle . . 105 A 105 ILE middle . . 106 A 106 LYS middle . . 107 A 107 VAL middle . . 108 A 108 LYS middle . . 109 A 109 LYS middle . . 110 A 110 PHE middle . . 111 A 111 PHE middle . . 112 A 112 ASP middle . . 113 A 113 LEU middle . . 114 A 114 ALA middle . . 115 A 115 GLN middle . . 116 A 116 LYS middle . . 117 A 117 ALA middle . . 118 A 118 LEU middle . . 119 A 119 LYS middle . . 120 A 120 ASP middle . . 121 A 121 ALA middle . . 122 A 122 GLU middle . . 123 A 123 LYS middle . . 124 A 124 LEU middle . . 125 A 125 GLU middle . . 126 A 126 HIS middle . . 127 A 127 HIS middle . . 128 A 128 HIS middle . . 129 A 129 HIS middle . . 130 A 130 HIS middle . . 131 A 131 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 3.922 0.020 A 1 MET HB2 H 1 1.922 0.020 A 1 MET HB3 H 1 1.922 0.020 A 1 MET HE% H 1 2.045 0.020 A 1 MET HGy H 1 2.493 0.020 A 1 MET HGx H 1 2.374 0.020 A 1 MET C C 13 172.233 0.200 A 1 MET CA C 13 55.276 0.200 A 1 MET CB C 13 34.929 0.200 A 1 MET CE C 13 17.355 0.200 A 1 MET CG C 13 31.564 0.200 A 2 LYS H H 1 8.671 0.020 A 2 LYS HA H 1 4.288 0.020 A 2 LYS HBy H 1 1.809 0.020 A 2 LYS HBx H 1 1.759 0.020 A 2 LYS HDy H 1 1.821 0.020 A 2 LYS HDx H 1 1.788 0.020 A 2 LYS HE2 H 1 3.080 0.020 A 2 LYS HE3 H 1 3.080 0.020 A 2 LYS HGy H 1 1.577 0.020 A 2 LYS HGx H 1 1.538 0.020 A 2 LYS C C 13 176.731 0.200 A 2 LYS CA C 13 56.022 0.200 A 2 LYS CB C 13 33.087 0.200 A 2 LYS CD C 13 29.272 0.200 A 2 LYS CE C 13 41.842 0.200 A 2 LYS CG C 13 24.653 0.200 A 2 LYS N N 15 124.086 0.200 A 3 ASP H H 1 8.597 0.020 A 3 ASP HA H 1 4.338 0.020 A 3 ASP HB2 H 1 2.716 0.020 A 3 ASP HB3 H 1 2.716 0.020 A 3 ASP C C 13 176.145 0.200 A 3 ASP CA C 13 55.318 0.200 A 3 ASP CB C 13 40.431 0.200 A 3 ASP N N 15 128.425 0.200 A 4 GLY H H 1 8.561 0.020 A 4 GLY HAy H 1 4.138 0.020 A 4 GLY HAx H 1 3.830 0.020 A 4 GLY C C 13 170.930 0.200 A 4 GLY CA C 13 44.621 0.200 A 4 GLY N N 15 107.914 0.200 A 5 THR H H 1 7.953 0.020 A 5 THR HA H 1 5.035 0.020 A 5 THR HB H 1 3.709 0.020 A 5 THR HG2% H 1 1.076 0.020 A 5 THR C C 13 173.625 0.200 A 5 THR CA C 13 61.878 0.200 A 5 THR CB C 13 69.860 0.200 A 5 THR CG2 C 13 21.952 0.200 A 5 THR N N 15 116.066 0.200 A 6 TYR H H 1 9.718 0.020 A 6 TYR HA H 1 4.745 0.020 A 6 TYR HBx H 1 2.425 0.020 A 6 TYR HBy H 1 3.048 0.020 A 6 TYR HD1 H 1 7.069 0.020 A 6 TYR HD2 H 1 7.069 0.020 A 6 TYR HE1 H 1 6.586 0.020 A 6 TYR HE2 H 1 6.586 0.020 A 6 TYR C C 13 173.625 0.200 A 6 TYR CA C 13 57.590 0.200 A 6 TYR CB C 13 40.588 0.200 A 6 TYR CD1 C 13 133.534 0.200 A 6 TYR CE1 C 13 116.705 0.200 A 6 TYR N N 15 127.899 0.200 A 7 TYR H H 1 8.832 0.020 A 7 TYR HA H 1 5.769 0.020 A 7 TYR HBy H 1 2.940 0.020 A 7 TYR HBx H 1 2.699 0.020 A 7 TYR HD1 H 1 7.158 0.020 A 7 TYR HD2 H 1 7.158 0.020 A 7 TYR HE1 H 1 6.583 0.020 A 7 TYR HE2 H 1 6.583 0.020 A 7 TYR C C 13 174.446 0.200 A 7 TYR CA C 13 56.427 0.200 A 7 TYR CB C 13 43.244 0.200 A 7 TYR CD1 C 13 133.379 0.200 A 7 TYR CE1 C 13 117.136 0.200 A 7 TYR N N 15 124.218 0.200 A 8 ALA H H 1 8.121 0.020 A 8 ALA HA H 1 4.279 0.020 A 8 ALA HB% H 1 1.169 0.020 A 8 ALA C C 13 173.157 0.200 A 8 ALA CA C 13 51.275 0.200 A 8 ALA CB C 13 23.868 0.200 A 8 ALA N N 15 127.045 0.200 A 9 GLU H H 1 8.217 0.020 A 9 GLU HA H 1 5.153 0.020 A 9 GLU HBx H 1 1.809 0.020 A 9 GLU HBy H 1 1.967 0.020 A 9 GLU HGy H 1 2.280 0.020 A 9 GLU HGx H 1 2.073 0.020 A 9 GLU C C 13 175.383 0.200 A 9 GLU CA C 13 52.667 0.200 A 9 GLU CB C 13 33.400 0.200 A 9 GLU CG C 13 34.492 0.200 A 9 GLU N N 15 113.765 0.200 A 10 ALA H H 1 8.517 0.020 A 10 ALA HA H 1 4.175 0.020 A 10 ALA HB% H 1 1.658 0.020 A 10 ALA C C 13 176.087 0.200 A 10 ALA CA C 13 51.888 0.200 A 10 ALA CB C 13 20.092 0.200 A 10 ALA N N 15 124.021 0.200 A 11 ASP H H 1 8.392 0.020 A 11 ASP HA H 1 4.236 0.020 A 11 ASP HBy H 1 2.684 0.020 A 11 ASP HBx H 1 2.516 0.020 A 11 ASP C C 13 175.266 0.200 A 11 ASP CA C 13 56.540 0.200 A 11 ASP CB C 13 41.030 0.200 A 11 ASP N N 15 117.972 0.200 A 12 ASP H H 1 7.660 0.020 A 12 ASP HA H 1 4.653 0.020 A 12 ASP HBy H 1 2.634 0.020 A 12 ASP HBx H 1 2.499 0.020 A 12 ASP C C 13 175.090 0.200 A 12 ASP CA C 13 51.578 0.200 A 12 ASP CB C 13 43.765 0.200 A 12 ASP N N 15 114.159 0.200 A 13 PHE H H 1 8.685 0.020 A 13 PHE HA H 1 4.155 0.020 A 13 PHE HBy H 1 2.857 0.020 A 13 PHE HBx H 1 2.691 0.020 A 13 PHE HD1 H 1 7.236 0.020 A 13 PHE HD2 H 1 7.236 0.020 A 13 PHE HE1 H 1 7.197 0.020 A 13 PHE HE2 H 1 7.197 0.020 A 13 PHE HZ H 1 7.282 0.020 A 13 PHE C C 13 175.911 0.200 A 13 PHE CA C 13 58.138 0.200 A 13 PHE CB C 13 40.275 0.200 A 13 PHE CD1 C 13 133.208 0.200 A 13 PHE CE1 C 13 131.324 0.200 A 13 PHE CZ C 13 129.717 0.200 A 13 PHE N N 15 118.695 0.200 A 14 ASP H H 1 8.883 0.020 A 14 ASP HA H 1 4.670 0.020 A 14 ASP HBy H 1 3.459 0.020 A 14 ASP HBx H 1 2.924 0.020 A 14 ASP C C 13 177.727 0.200 A 14 ASP CA C 13 52.713 0.200 A 14 ASP CB C 13 41.130 0.200 A 14 ASP N N 15 122.640 0.200 A 15 GLU H H 1 9.183 0.020 A 15 GLU HA H 1 4.204 0.020 A 15 GLU HBy H 1 2.192 0.020 A 15 GLU HBx H 1 2.149 0.020 A 15 GLU HGy H 1 2.439 0.020 A 15 GLU HGx H 1 2.400 0.020 A 15 GLU C C 13 177.551 0.200 A 15 GLU CA C 13 59.179 0.200 A 15 GLU CB C 13 28.578 0.200 A 15 GLU CG C 13 36.037 0.200 A 15 GLU N N 15 117.907 0.200 A 16 SER H H 1 8.466 0.020 A 16 SER HA H 1 4.708 0.020 A 16 SER HBy H 1 4.272 0.020 A 16 SER HBx H 1 4.223 0.020 A 16 SER C C 13 173.508 0.200 A 16 SER CA C 13 58.187 0.200 A 16 SER CB C 13 64.579 0.200 A 16 SER N N 15 115.934 0.200 A 17 GLY H H 1 8.239 0.020 A 17 GLY HAy H 1 3.963 0.020 A 17 GLY HAx H 1 3.381 0.020 A 17 GLY C C 13 172.512 0.200 A 17 GLY CA C 13 45.286 0.200 A 17 GLY N N 15 109.031 0.200 A 18 TRP H H 1 8.297 0.020 A 18 TRP HA H 1 5.420 0.020 A 18 TRP HBy H 1 3.248 0.020 A 18 TRP HBx H 1 2.732 0.020 A 18 TRP HD1 H 1 7.326 0.020 A 18 TRP HE1 H 1 10.134 0.020 A 18 TRP HZ2 H 1 7.313 0.020 A 18 TRP C C 13 176.673 0.200 A 18 TRP CA C 13 56.176 0.200 A 18 TRP CB C 13 32.618 0.200 A 18 TRP CD1 C 13 129.048 0.200 A 18 TRP CZ2 C 13 114.413 0.200 A 18 TRP N N 15 119.221 0.200 A 18 TRP NE1 N 15 128.902 0.200 A 19 LYS H H 1 10.122 0.020 A 19 LYS HA H 1 4.731 0.020 A 19 LYS HBx H 1 0.878 0.020 A 19 LYS HBy H 1 1.507 0.020 A 19 LYS HD2 H 1 1.581 0.020 A 19 LYS HD3 H 1 1.581 0.020 A 19 LYS HE2 H 1 2.965 0.020 A 19 LYS HE3 H 1 2.965 0.020 A 19 LYS HG2 H 1 1.205 0.020 A 19 LYS HG3 H 1 1.205 0.020 A 19 LYS C C 13 174.153 0.200 A 19 LYS CA C 13 54.770 0.200 A 19 LYS CB C 13 35.019 0.200 A 19 LYS CD C 13 28.695 0.200 A 19 LYS CE C 13 42.155 0.200 A 19 LYS CG C 13 24.775 0.200 A 19 LYS N N 15 128.294 0.200 A 20 ASP H H 1 8.195 0.020 A 20 ASP HA H 1 5.058 0.020 A 20 ASP HBy H 1 2.643 0.020 A 20 ASP HBx H 1 2.474 0.020 A 20 ASP C C 13 174.270 0.200 A 20 ASP CA C 13 55.945 0.200 A 20 ASP CB C 13 44.287 0.200 A 20 ASP N N 15 127.702 0.200 A 21 THR H H 1 9.447 0.020 A 21 THR HA H 1 4.986 0.020 A 21 THR HB H 1 4.356 0.020 A 21 THR HG2% H 1 1.357 0.020 A 21 THR C C 13 172.981 0.200 A 21 THR CA C 13 59.896 0.200 A 21 THR CB C 13 72.204 0.200 A 21 THR CG2 C 13 21.958 0.200 A 21 THR N N 15 111.924 0.200 A 22 VAL H H 1 8.744 0.020 A 22 VAL HA H 1 5.130 0.020 A 22 VAL HB H 1 1.451 0.020 A 22 VAL HGx% H 1 0.466 0.020 A 22 VAL HGy% H 1 0.713 0.020 A 22 VAL C C 13 173.039 0.200 A 22 VAL CA C 13 61.505 0.200 A 22 VAL CB C 13 36.056 0.200 A 22 VAL CG1 C 13 21.804 0.200 A 22 VAL CG2 C 13 23.653 0.200 A 22 VAL N N 15 120.273 0.200 A 23 THR H H 1 8.120 0.020 A 23 THR HA H 1 5.302 0.020 A 23 THR HB H 1 4.106 0.020 A 23 THR HG2% H 1 1.276 0.020 A 23 THR C C 13 174.739 0.200 A 23 THR CA C 13 61.728 0.200 A 23 THR CB C 13 70.721 0.200 A 23 THR CG2 C 13 21.340 0.200 A 23 THR N N 15 120.602 0.200 A 24 ILE H H 1 9.813 0.020 A 24 ILE HA H 1 4.820 0.020 A 24 ILE HB H 1 1.643 0.020 A 24 ILE HD1% H 1 0.614 0.020 A 24 ILE HG1y H 1 1.503 0.020 A 24 ILE HG1x H 1 0.930 0.020 A 24 ILE HG2% H 1 0.962 0.020 A 24 ILE C C 13 173.508 0.200 A 24 ILE CA C 13 60.204 0.200 A 24 ILE CB C 13 42.932 0.200 A 24 ILE CD1 C 13 14.337 0.200 A 24 ILE CG1 C 13 28.607 0.200 A 24 ILE CG2 C 13 19.217 0.200 A 24 ILE N N 15 129.477 0.200 A 25 GLU H H 1 8.737 0.020 A 25 GLU HA H 1 5.286 0.020 A 25 GLU HBy H 1 1.992 0.020 A 25 GLU HBx H 1 1.917 0.020 A 25 GLU HGy H 1 2.155 0.020 A 25 GLU HGx H 1 2.047 0.020 A 25 GLU C C 13 175.442 0.200 A 25 GLU CA C 13 55.092 0.200 A 25 GLU CB C 13 31.993 0.200 A 25 GLU CG C 13 35.483 0.200 A 25 GLU N N 15 127.505 0.200 A 26 VAL H H 1 9.315 0.020 A 26 VAL HA H 1 5.003 0.020 A 26 VAL HB H 1 2.335 0.020 A 26 VAL HGx% H 1 0.635 0.020 A 26 VAL HGy% H 1 0.830 0.020 A 26 VAL C C 13 176.087 0.200 A 26 VAL CA C 13 60.639 0.200 A 26 VAL CB C 13 33.999 0.200 A 26 VAL CG1 C 13 21.065 0.200 A 26 VAL CG2 C 13 22.100 0.200 A 26 VAL N N 15 128.162 0.200 A 27 LYS H H 1 9.220 0.020 A 27 LYS HA H 1 4.518 0.020 A 27 LYS HBx H 1 1.604 0.020 A 27 LYS HBy H 1 1.751 0.020 A 27 LYS HD2 H 1 1.700 0.020 A 27 LYS HD3 H 1 1.700 0.020 A 27 LYS HE2 H 1 2.969 0.020 A 27 LYS HE3 H 1 2.969 0.020 A 27 LYS HGx H 1 1.352 0.020 A 27 LYS HGy H 1 1.415 0.020 A 27 LYS C C 13 176.555 0.200 A 27 LYS CA C 13 55.401 0.200 A 27 LYS CB C 13 36.746 0.200 A 27 LYS CD C 13 28.902 0.200 A 27 LYS CE C 13 42.063 0.200 A 27 LYS CG C 13 25.206 0.200 A 27 LYS N N 15 128.754 0.200 A 28 ASN H H 1 10.561 0.020 A 28 ASN HA H 1 4.454 0.020 A 28 ASN HBx H 1 2.865 0.020 A 28 ASN HBy H 1 3.065 0.020 A 28 ASN HD2y H 1 7.606 0.020 A 28 ASN HD2x H 1 6.992 0.020 A 28 ASN C C 13 176.438 0.200 A 28 ASN CA C 13 54.289 0.200 A 28 ASN CB C 13 37.453 0.200 A 28 ASN N N 15 127.308 0.200 A 28 ASN ND2 N 15 113.365 0.200 A 29 GLY H H 1 10.048 0.020 A 29 GLY HAy H 1 4.080 0.020 A 29 GLY HAx H 1 3.897 0.020 A 29 GLY C C 13 173.743 0.200 A 29 GLY CA C 13 45.508 0.200 A 29 GLY N N 15 104.955 0.200 A 30 LYS H H 1 7.506 0.020 A 30 LYS HA H 1 4.687 0.020 A 30 LYS HB2 H 1 1.655 0.020 A 30 LYS HB3 H 1 1.655 0.020 A 30 LYS HD2 H 1 1.619 0.020 A 30 LYS HD3 H 1 1.619 0.020 A 30 LYS HE2 H 1 2.984 0.020 A 30 LYS HE3 H 1 2.984 0.020 A 30 LYS HGy H 1 1.387 0.020 A 30 LYS HGx H 1 1.337 0.020 A 30 LYS C C 13 175.383 0.200 A 30 LYS CA C 13 53.729 0.200 A 30 LYS CB C 13 35.326 0.200 A 30 LYS CD C 13 28.917 0.200 A 30 LYS CE C 13 42.082 0.200 A 30 LYS CG C 13 24.318 0.200 A 30 LYS N N 15 118.630 0.200 A 31 ILE H H 1 9.843 0.020 A 31 ILE HA H 1 4.232 0.020 A 31 ILE HB H 1 1.705 0.020 A 31 ILE HD1% H 1 0.647 0.020 A 31 ILE HG1y H 1 0.724 0.020 A 31 ILE HG1x H 1 0.660 0.020 A 31 ILE HG2% H 1 0.740 0.020 A 31 ILE C C 13 177.669 0.200 A 31 ILE CA C 13 63.611 0.200 A 31 ILE CB C 13 38.749 0.200 A 31 ILE CD1 C 13 14.070 0.200 A 31 ILE CG1 C 13 27.941 0.200 A 31 ILE CG2 C 13 18.181 0.200 A 31 ILE N N 15 123.232 0.200 A 32 VAL H H 1 9.125 0.020 A 32 VAL HA H 1 4.612 0.020 A 32 VAL HB H 1 2.275 0.020 A 32 VAL HGx% H 1 1.032 0.020 A 32 VAL HGy% H 1 0.844 0.020 A 32 VAL C C 13 175.676 0.200 A 32 VAL CA C 13 61.388 0.200 A 32 VAL CB C 13 33.556 0.200 A 32 VAL CG1 C 13 22.356 0.200 A 32 VAL CG2 C 13 19.074 0.200 A 32 VAL N N 15 121.654 0.200 A 33 SER H H 1 7.587 0.020 A 33 SER HA H 1 4.639 0.020 A 33 SER HBy H 1 3.847 0.020 A 33 SER HBx H 1 3.815 0.020 A 33 SER C C 13 171.926 0.200 A 33 SER CA C 13 57.814 0.200 A 33 SER CB C 13 64.939 0.200 A 33 SER N N 15 115.145 0.200 A 34 VAL H H 1 8.905 0.020 A 34 VAL HA H 1 4.813 0.020 A 34 VAL HB H 1 1.975 0.020 A 34 VAL HGx% H 1 1.167 0.020 A 34 VAL HGy% H 1 0.950 0.020 A 34 VAL C C 13 172.981 0.200 A 34 VAL CA C 13 60.481 0.200 A 34 VAL CB C 13 35.473 0.200 A 34 VAL CG1 C 13 22.287 0.200 A 34 VAL CG2 C 13 23.604 0.200 A 34 VAL N N 15 123.560 0.200 A 35 ASP H H 1 9.008 0.020 A 35 ASP HA H 1 5.272 0.020 A 35 ASP HBy H 1 2.807 0.020 A 35 ASP HBx H 1 2.599 0.020 A 35 ASP C C 13 176.555 0.200 A 35 ASP CA C 13 52.088 0.200 A 35 ASP CB C 13 43.088 0.200 A 35 ASP N N 15 124.284 0.200 A 36 TRP HA H 1 4.288 0.020 A 36 TRP HBy H 1 1.610 0.020 A 36 TRP HBx H 1 1.510 0.020 A 36 TRP HE1 H 1 11.205 0.020 A 36 TRP C C 13 179.206 0.200 A 36 TRP CA C 13 55.276 0.200 A 36 TRP CB C 13 30.118 0.200 A 36 TRP NE1 N 15 133.619 0.200 A 37 ASN H H 1 8.297 0.020 A 37 ASN HA H 1 4.961 0.020 A 37 ASN HBy H 1 2.874 0.020 A 37 ASN HBx H 1 2.782 0.020 A 37 ASN HD2y H 1 7.788 0.020 A 37 ASN HD2x H 1 7.594 0.020 A 37 ASN C C 13 177.727 0.200 A 37 ASN CA C 13 50.914 0.200 A 37 ASN CB C 13 42.169 0.200 A 37 ASN N N 15 120.010 0.200 A 37 ASN ND2 N 15 112.341 0.200 A 38 ALA H H 1 9.037 0.020 A 38 ALA HA H 1 5.244 0.020 A 38 ALA HB% H 1 1.094 0.020 A 38 ALA C C 13 175.383 0.200 A 38 ALA CA C 13 52.851 0.200 A 38 ALA CB C 13 22.904 0.200 A 38 ALA N N 15 118.301 0.200 A 39 ILE H H 1 8.751 0.020 A 39 ILE HA H 1 4.936 0.020 A 39 ILE HB H 1 1.954 0.020 A 39 ILE HD1% H 1 0.947 0.020 A 39 ILE HG1x H 1 1.287 0.020 A 39 ILE HG1y H 1 1.691 0.020 A 39 ILE HG2% H 1 1.099 0.020 A 39 ILE C C 13 175.676 0.200 A 39 ILE CA C 13 59.311 0.200 A 39 ILE CB C 13 41.347 0.200 A 39 ILE CD1 C 13 13.523 0.200 A 39 ILE CG1 C 13 26.610 0.200 A 39 ILE CG2 C 13 18.034 0.200 A 39 ILE N N 15 117.249 0.200 A 40 ASN H H 1 9.542 0.020 A 40 ASN HA H 1 4.645 0.020 A 40 ASN HBx H 1 1.693 0.020 A 40 ASN HBy H 1 2.433 0.020 A 40 ASN HD2y H 1 6.445 0.020 A 40 ASN HD2x H 1 4.043 0.020 A 40 ASN C C 13 177.200 0.200 A 40 ASN CA C 13 52.623 0.200 A 40 ASN CB C 13 40.744 0.200 A 40 ASN N N 15 126.453 0.200 A 40 ASN ND2 N 15 110.276 0.200 A 41 LYS H H 1 8.634 0.020 A 41 LYS HA H 1 2.908 0.020 A 41 LYS HBx H 1 0.495 0.020 A 41 LYS HBy H 1 0.646 0.020 A 41 LYS HDy H 1 1.229 0.020 A 41 LYS HDx H 1 1.182 0.020 A 41 LYS HE2 H 1 2.738 0.020 A 41 LYS HE3 H 1 2.738 0.020 A 41 LYS HG2 H 1 0.608 0.020 A 41 LYS HG3 H 1 0.608 0.020 A 41 LYS C C 13 176.262 0.200 A 41 LYS CA C 13 59.001 0.200 A 41 LYS CB C 13 31.264 0.200 A 41 LYS CD C 13 29.227 0.200 A 41 LYS CE C 13 41.755 0.200 A 41 LYS CG C 13 23.209 0.200 A 41 LYS N N 15 129.872 0.200 A 42 ASP H H 1 8.363 0.020 A 42 ASP HA H 1 4.604 0.020 A 42 ASP HBy H 1 2.707 0.020 A 42 ASP HBx H 1 2.250 0.020 A 42 ASP C C 13 176.380 0.200 A 42 ASP CA C 13 53.911 0.200 A 42 ASP CB C 13 40.802 0.200 A 42 ASP N N 15 117.512 0.200 A 43 GLY H H 1 7.631 0.020 A 43 GLY HAy H 1 4.088 0.020 A 43 GLY HAx H 1 3.755 0.020 A 43 GLY C C 13 173.977 0.200 A 43 GLY CA C 13 44.821 0.200 A 43 GLY N N 15 107.782 0.200 A 44 GLY H H 1 8.319 0.020 A 44 GLY HAy H 1 4.046 0.020 A 44 GLY HAx H 1 3.838 0.020 A 44 GLY C C 13 174.036 0.200 A 44 GLY CA C 13 44.325 0.200 A 44 GLY N N 15 107.782 0.200 A 45 ASP H H 1 8.319 0.020 A 45 ASP HA H 1 4.580 0.020 A 45 ASP HBx H 1 2.491 0.020 A 45 ASP HBy H 1 2.624 0.020 A 45 ASP C C 13 176.438 0.200 A 45 ASP CA C 13 55.749 0.200 A 45 ASP CB C 13 42.431 0.200 A 45 ASP N N 15 121.391 0.200 A 46 ASP H H 1 8.268 0.020 A 46 ASP HA H 1 5.020 0.020 A 46 ASP HBx H 1 2.857 0.020 A 46 ASP HBy H 1 3.339 0.020 A 46 ASP C C 13 174.680 0.200 A 46 ASP CA C 13 53.027 0.200 A 46 ASP CB C 13 41.161 0.200 A 46 ASP N N 15 117.578 0.200 A 47 LYS H H 1 8.165 0.020 A 47 LYS HA H 1 2.843 0.020 A 47 LYS HBy H 1 0.404 0.020 A 47 LYS HBx H 1 -0.076 0.020 A 47 LYS HDy H 1 -1.179 0.020 A 47 LYS HDx H 1 -1.266 0.020 A 47 LYS HEy H 1 0.606 0.020 A 47 LYS HEx H 1 0.074 0.020 A 47 LYS HGy H 1 -0.241 0.020 A 47 LYS HGx H 1 -1.261 0.020 A 47 LYS C C 13 177.551 0.200 A 47 LYS CA C 13 60.792 0.200 A 47 LYS CB C 13 32.306 0.200 A 47 LYS CD C 13 27.566 0.200 A 47 LYS CE C 13 40.311 0.200 A 47 LYS CG C 13 24.244 0.200 A 47 LYS N N 15 120.931 0.200 A 48 ASP H H 1 8.839 0.020 A 48 ASP HA H 1 4.487 0.020 A 48 ASP HBy H 1 2.683 0.020 A 48 ASP HBx H 1 2.560 0.020 A 48 ASP C C 13 178.489 0.200 A 48 ASP CA C 13 58.523 0.200 A 48 ASP CB C 13 41.213 0.200 A 48 ASP N N 15 119.024 0.200 A 49 THR H H 1 8.121 0.020 A 49 THR HA H 1 3.667 0.020 A 49 THR HB H 1 4.098 0.020 A 49 THR HG2% H 1 1.130 0.020 A 49 THR C C 13 176.511 0.200 A 49 THR CA C 13 67.169 0.200 A 49 THR CB C 13 68.300 0.200 A 49 THR CG2 C 13 20.991 0.200 A 49 THR N N 15 117.315 0.200 A 50 LEU H H 1 8.510 0.020 A 50 LEU HA H 1 4.221 0.020 A 50 LEU HBy H 1 1.643 0.020 A 50 LEU HBx H 1 1.510 0.020 A 50 LEU HDx% H 1 1.126 0.020 A 50 LEU HDy% H 1 1.115 0.020 A 50 LEU HG H 1 1.601 0.020 A 50 LEU C C 13 179.720 0.200 A 50 LEU CA C 13 57.567 0.200 A 50 LEU CB C 13 43.027 0.200 A 50 LEU CD1 C 13 24.984 0.200 A 50 LEU CD2 C 13 25.395 0.200 A 50 LEU CG C 13 26.684 0.200 A 50 LEU N N 15 121.522 0.200 A 51 SER H H 1 8.920 0.020 A 51 SER HA H 1 4.576 0.020 A 51 SER HB2 H 1 4.102 0.020 A 51 SER HB3 H 1 4.102 0.020 A 51 SER C C 13 179.237 0.200 A 51 SER CA C 13 61.256 0.200 A 51 SER CB C 13 62.798 0.200 A 51 SER N N 15 113.239 0.200 A 52 ARG HA H 1 3.489 0.020 A 52 ARG HB2 H 1 1.593 0.020 A 52 ARG HB3 H 1 1.593 0.020 A 52 ARG C C 13 177.741 0.200 A 52 ARG CA C 13 59.449 0.200 A 52 ARG CB C 13 29.650 0.200 A 52 ARG CG C 13 28.828 0.200 A 53 ASN H H 1 7.909 0.020 A 53 ASN HA H 1 4.837 0.020 A 53 ASN HB2 H 1 2.949 0.020 A 53 ASN HB3 H 1 2.949 0.020 A 53 ASN HD2y H 1 7.645 0.020 A 53 ASN HD2x H 1 6.784 0.020 A 53 ASN C C 13 176.204 0.200 A 53 ASN CA C 13 52.857 0.200 A 53 ASN CB C 13 38.556 0.200 A 53 ASN N N 15 115.803 0.200 A 53 ASN ND2 N 15 111.789 0.200 A 54 GLY H H 1 7.836 0.020 A 54 GLY HAy H 1 4.288 0.020 A 54 GLY HAx H 1 4.105 0.020 A 54 GLY C C 13 175.208 0.200 A 54 GLY CA C 13 46.173 0.200 A 54 GLY N N 15 108.111 0.200 A 55 GLY H H 1 8.663 0.020 A 55 GLY HAy H 1 4.370 0.020 A 55 GLY HAx H 1 3.739 0.020 A 55 GLY C C 13 173.274 0.200 A 55 GLY CA C 13 45.339 0.200 A 55 GLY N N 15 107.651 0.200 A 56 TYR H H 1 8.019 0.020 A 56 TYR HA H 1 4.802 0.020 A 56 TYR HBy H 1 2.767 0.020 A 56 TYR HBx H 1 2.699 0.020 A 56 TYR HD1 H 1 7.125 0.020 A 56 TYR HD2 H 1 7.125 0.020 A 56 TYR HE1 H 1 6.619 0.020 A 56 TYR HE2 H 1 6.619 0.020 A 56 TYR C C 13 176.497 0.200 A 56 TYR CA C 13 57.196 0.200 A 56 TYR CB C 13 39.924 0.200 A 56 TYR CD1 C 13 132.422 0.200 A 56 TYR CE1 C 13 117.955 0.200 A 56 TYR N N 15 122.048 0.200 A 57 LYS H H 1 8.099 0.020 A 57 LYS HA H 1 4.396 0.020 A 57 LYS HBy H 1 1.680 0.020 A 57 LYS HBx H 1 1.585 0.020 A 57 LYS HD2 H 1 1.621 0.020 A 57 LYS HD3 H 1 1.621 0.020 A 57 LYS HE2 H 1 2.966 0.020 A 57 LYS HE3 H 1 2.966 0.020 A 57 LYS HGy H 1 1.348 0.020 A 57 LYS HGx H 1 1.277 0.020 A 57 LYS C C 13 175.149 0.200 A 57 LYS CA C 13 54.783 0.200 A 57 LYS CB C 13 33.374 0.200 A 57 LYS CD C 13 28.902 0.200 A 57 LYS CE C 13 42.137 0.200 A 57 LYS CG C 13 24.466 0.200 A 57 LYS N N 15 128.031 0.200 A 58 MET H H 1 8.444 0.020 A 58 MET HA H 1 4.313 0.020 A 58 MET HBx H 1 1.967 0.020 A 58 MET HBy H 1 2.075 0.020 A 58 MET HE% H 1 2.119 0.020 A 58 MET HGy H 1 2.655 0.020 A 58 MET HGx H 1 2.581 0.020 A 58 MET C C 13 176.087 0.200 A 58 MET CA C 13 55.201 0.200 A 58 MET CB C 13 33.595 0.200 A 58 MET CE C 13 17.119 0.200 A 58 MET CG C 13 32.082 0.200 A 58 MET N N 15 122.508 0.200 A 59 VAL H H 1 8.180 0.020 A 59 VAL HA H 1 4.086 0.020 A 59 VAL HB H 1 2.085 0.020 A 59 VAL HG1% H 1 0.901 0.020 A 59 VAL HG2% H 1 0.900 0.020 A 59 VAL C C 13 176.262 0.200 A 59 VAL CA C 13 62.687 0.200 A 59 VAL CB C 13 32.499 0.200 A 59 VAL CG1 C 13 21.183 0.200 A 59 VAL CG2 C 13 20.547 0.200 A 59 VAL N N 15 120.273 0.200 A 60 GLU H H 1 8.290 0.020 A 60 GLU HA H 1 4.315 0.020 A 60 GLU HBy H 1 1.987 0.020 A 60 GLU HBx H 1 1.930 0.020 A 60 GLU HGy H 1 2.214 0.020 A 60 GLU HGx H 1 2.170 0.020 A 60 GLU C C 13 175.852 0.200 A 60 GLU CA C 13 56.315 0.200 A 60 GLU CB C 13 30.714 0.200 A 60 GLU CG C 13 36.370 0.200 A 60 GLU N N 15 122.771 0.200 A 61 TYR H H 1 8.312 0.020 A 61 TYR HA H 1 4.496 0.020 A 61 TYR HBy H 1 3.048 0.020 A 61 TYR HBx H 1 3.007 0.020 A 61 TYR HD1 H 1 7.082 0.020 A 61 TYR HD2 H 1 7.082 0.020 A 61 TYR HE1 H 1 6.806 0.020 A 61 TYR HE2 H 1 6.806 0.020 A 61 TYR C C 13 176.492 0.200 A 61 TYR CA C 13 58.366 0.200 A 61 TYR CB C 13 38.713 0.200 A 61 TYR CD1 C 13 132.994 0.200 A 61 TYR CE1 C 13 118.141 0.200 A 61 TYR N N 15 121.421 0.200 A 62 GLY H H 1 8.363 0.020 A 62 GLY HAy H 1 3.922 0.020 A 62 GLY HAx H 1 3.797 0.020 A 62 GLY C C 13 174.563 0.200 A 62 GLY CA C 13 45.518 0.200 A 62 GLY N N 15 111.398 0.200 A 63 GLY H H 1 7.982 0.020 A 63 GLY HAy H 1 3.951 0.020 A 63 GLY HAx H 1 3.886 0.020 A 63 GLY C C 13 173.684 0.200 A 63 GLY CA C 13 45.136 0.200 A 63 GLY N N 15 108.374 0.200 A 64 ALA H H 1 8.180 0.020 A 64 ALA HA H 1 4.310 0.020 A 64 ALA HB% H 1 1.353 0.020 A 64 ALA C C 13 177.493 0.200 A 64 ALA CA C 13 52.565 0.200 A 64 ALA CB C 13 19.053 0.200 A 64 ALA N N 15 123.823 0.200 A 65 GLN H H 1 8.261 0.020 A 65 GLN HA H 1 4.338 0.020 A 65 GLN HBy H 1 2.059 0.020 A 65 GLN HBx H 1 1.909 0.020 A 65 GLN HE2x H 1 6.761 0.020 A 65 GLN HE2y H 1 7.490 0.020 A 65 GLN HG2 H 1 2.284 0.020 A 65 GLN HG3 H 1 2.284 0.020 A 65 GLN C C 13 175.032 0.200 A 65 GLN CA C 13 55.260 0.200 A 65 GLN CB C 13 29.493 0.200 A 65 GLN CG C 13 33.686 0.200 A 65 GLN N N 15 118.695 0.200 A 65 GLN NE2 N 15 112.348 0.200 A 66 ALA H H 1 7.953 0.020 A 66 ALA HA H 1 4.387 0.020 A 66 ALA HB% H 1 1.286 0.020 A 66 ALA C C 13 176.965 0.200 A 66 ALA CA C 13 51.685 0.200 A 66 ALA CB C 13 20.230 0.200 A 66 ALA N N 15 123.823 0.200 A 67 GLU H H 1 8.612 0.020 A 67 GLU HA H 1 4.460 0.020 A 67 GLU HB2 H 1 2.246 0.020 A 67 GLU HB3 H 1 2.246 0.020 A 67 GLU HGy H 1 2.542 0.020 A 67 GLU HGx H 1 2.457 0.020 A 67 GLU C C 13 177.493 0.200 A 67 GLU CA C 13 55.846 0.200 A 67 GLU CB C 13 30.482 0.200 A 67 GLU CG C 13 36.054 0.200 A 67 GLU N N 15 119.419 0.200 A 68 TRP H H 1 9.963 0.020 A 68 TRP HA H 1 6.024 0.020 A 68 TRP HBy H 1 3.614 0.020 A 68 TRP HBx H 1 3.145 0.020 A 68 TRP HD1 H 1 8.205 0.020 A 68 TRP HE1 H 1 11.410 0.020 A 68 TRP HH2 H 1 7.540 0.020 A 68 TRP HZ2 H 1 7.673 0.020 A 68 TRP HZ3 H 1 6.842 0.020 A 68 TRP CA C 13 54.154 0.200 A 68 TRP CB C 13 30.825 0.200 A 68 TRP CD1 C 13 125.944 0.200 A 68 TRP CH2 C 13 124.110 0.200 A 68 TRP CZ2 C 13 113.941 0.200 A 68 TRP CZ3 C 13 120.520 0.200 A 68 TRP N N 15 132.946 0.200 A 68 TRP NE1 N 15 129.539 0.200 A 71 GLN HA H 1 3.722 0.020 A 71 GLN C C 13 178.152 0.200 A 71 GLN CA C 13 55.432 0.200 A 72 ALA H H 1 8.334 0.020 A 72 ALA HA H 1 3.531 0.020 A 72 ALA HB% H 1 -0.024 0.020 A 72 ALA C C 13 179.720 0.200 A 72 ALA CA C 13 55.179 0.200 A 72 ALA CB C 13 17.200 0.200 A 72 ALA N N 15 120.536 0.200 A 73 GLU H H 1 7.338 0.020 A 73 GLU HA H 1 4.359 0.020 A 73 GLU HBy H 1 2.175 0.020 A 73 GLU HBx H 1 2.025 0.020 A 73 GLU HGy H 1 2.534 0.020 A 73 GLU HGx H 1 2.378 0.020 A 73 GLU C C 13 180.013 0.200 A 73 GLU CA C 13 58.742 0.200 A 73 GLU CB C 13 29.552 0.200 A 73 GLU CG C 13 36.888 0.200 A 73 GLU N N 15 116.329 0.200 A 74 LYS H H 1 7.250 0.020 A 74 LYS HA H 1 4.096 0.020 A 74 LYS HBy H 1 2.034 0.020 A 74 LYS HBx H 1 1.709 0.020 A 74 LYS HD2 H 1 1.674 0.020 A 74 LYS HD3 H 1 1.674 0.020 A 74 LYS HE2 H 1 3.047 0.020 A 74 LYS HE3 H 1 3.047 0.020 A 74 LYS HG2 H 1 1.641 0.020 A 74 LYS HG3 H 1 1.641 0.020 A 74 LYS C C 13 179.368 0.200 A 74 LYS CA C 13 58.299 0.200 A 74 LYS CB C 13 31.993 0.200 A 74 LYS CD C 13 29.272 0.200 A 74 LYS CE C 13 42.063 0.200 A 74 LYS CG C 13 24.762 0.200 A 74 LYS N N 15 118.104 0.200 A 75 VAL H H 1 7.425 0.020 A 75 VAL HA H 1 3.456 0.020 A 75 VAL HB H 1 1.992 0.020 A 75 VAL HGx% H 1 -0.134 0.020 A 75 VAL HGy% H 1 0.915 0.020 A 75 VAL C C 13 176.731 0.200 A 75 VAL CA C 13 66.343 0.200 A 75 VAL CB C 13 31.556 0.200 A 75 VAL CG1 C 13 21.856 0.200 A 75 VAL CG2 C 13 23.306 0.200 A 75 VAL N N 15 122.903 0.200 A 76 GLU H H 1 8.473 0.020 A 76 GLU HA H 1 3.534 0.020 A 76 GLU HBx H 1 2.050 0.020 A 76 GLU HBy H 1 2.408 0.020 A 76 GLU HGy H 1 2.543 0.020 A 76 GLU HGx H 1 2.092 0.020 A 76 GLU C C 13 178.489 0.200 A 76 GLU CA C 13 59.472 0.200 A 76 GLU CB C 13 29.025 0.200 A 76 GLU CG C 13 36.222 0.200 A 76 GLU N N 15 119.353 0.200 A 77 ALA H H 1 7.828 0.020 A 77 ALA HA H 1 4.094 0.020 A 77 ALA HB% H 1 1.544 0.020 A 77 ALA C C 13 180.481 0.200 A 77 ALA CA C 13 54.689 0.200 A 77 ALA CB C 13 18.131 0.200 A 77 ALA N N 15 117.578 0.200 A 78 TYR H H 1 7.872 0.020 A 78 TYR HA H 1 4.304 0.020 A 78 TYR HBx H 1 3.132 0.020 A 78 TYR HBy H 1 3.589 0.020 A 78 TYR HD1 H 1 7.163 0.020 A 78 TYR HD2 H 1 7.163 0.020 A 78 TYR HE1 H 1 6.731 0.020 A 78 TYR HE2 H 1 6.731 0.020 A 78 TYR C C 13 177.141 0.200 A 78 TYR CA C 13 61.578 0.200 A 78 TYR CB C 13 38.400 0.200 A 78 TYR CD1 C 13 133.224 0.200 A 78 TYR CE1 C 13 117.886 0.200 A 78 TYR N N 15 121.588 0.200 A 79 LEU H H 1 7.953 0.020 A 79 LEU HA H 1 4.296 0.020 A 79 LEU HBy H 1 2.292 0.020 A 79 LEU HBx H 1 1.601 0.020 A 79 LEU HDx% H 1 0.903 0.020 A 79 LEU HDy% H 1 0.811 0.020 A 79 LEU HG H 1 1.620 0.020 A 79 LEU C C 13 178.723 0.200 A 79 LEU CA C 13 57.751 0.200 A 79 LEU CB C 13 40.168 0.200 A 79 LEU CD1 C 13 24.964 0.200 A 79 LEU CD2 C 13 23.465 0.200 A 79 LEU CG C 13 27.054 0.200 A 79 LEU N N 15 119.221 0.200 A 80 VAL H H 1 7.770 0.020 A 80 VAL HA H 1 3.285 0.020 A 80 VAL HB H 1 2.170 0.020 A 80 VAL HGx% H 1 0.913 0.020 A 80 VAL HGy% H 1 0.909 0.020 A 80 VAL C C 13 177.962 0.200 A 80 VAL CA C 13 66.892 0.200 A 80 VAL CB C 13 31.212 0.200 A 80 VAL CG1 C 13 21.435 0.200 A 80 VAL CG2 C 13 23.283 0.200 A 80 VAL N N 15 119.747 0.200 A 81 GLU H H 1 8.121 0.020 A 81 GLU HA H 1 4.038 0.020 A 81 GLU HB2 H 1 2.084 0.020 A 81 GLU HB3 H 1 2.084 0.020 A 81 GLU HGx H 1 2.042 0.020 A 81 GLU HGy H 1 2.271 0.020 A 81 GLU C C 13 178.723 0.200 A 81 GLU CA C 13 59.546 0.200 A 81 GLU CB C 13 29.493 0.200 A 81 GLU CG C 13 35.927 0.200 A 81 GLU N N 15 120.405 0.200 A 82 LYS H H 1 8.473 0.020 A 82 LYS HA H 1 4.048 0.020 A 82 LYS HBx H 1 1.709 0.020 A 82 LYS HBy H 1 1.817 0.020 A 82 LYS HD2 H 1 1.712 0.020 A 82 LYS HD3 H 1 1.712 0.020 A 82 LYS HE2 H 1 3.053 0.020 A 82 LYS HE3 H 1 3.053 0.020 A 82 LYS HG2 H 1 1.282 0.020 A 82 LYS HG3 H 1 1.282 0.020 A 82 LYS C C 13 179.134 0.200 A 82 LYS CA C 13 56.450 0.200 A 82 LYS CB C 13 33.244 0.200 A 82 LYS CD C 13 29.139 0.200 A 82 LYS CE C 13 42.008 0.200 A 82 LYS CG C 13 24.775 0.200 A 82 LYS N N 15 115.080 0.200 A 83 GLN H H 1 8.971 0.020 A 83 GLN HA H 1 3.400 0.020 A 83 GLN HBy H 1 2.516 0.020 A 83 GLN HBx H 1 2.408 0.020 A 83 GLN HE2y H 1 9.102 0.020 A 83 GLN HE2x H 1 8.218 0.020 A 83 GLN HGx H 1 2.207 0.020 A 83 GLN HGy H 1 2.396 0.020 A 83 GLN C C 13 173.801 0.200 A 83 GLN CA C 13 58.454 0.200 A 83 GLN CB C 13 26.056 0.200 A 83 GLN CG C 13 33.339 0.200 A 83 GLN N N 15 111.267 0.200 A 83 GLN NE2 N 15 119.679 0.200 A 84 ASP H H 1 6.671 0.020 A 84 ASP HA H 1 4.938 0.020 A 84 ASP HBy H 1 2.761 0.020 A 84 ASP HBx H 1 2.664 0.020 A 84 ASP C C 13 175.676 0.200 A 84 ASP CA C 13 50.316 0.200 A 84 ASP CB C 13 42.597 0.200 A 84 ASP N N 15 115.277 0.200 A 85 PRO HA H 1 4.545 0.020 A 85 PRO HBy H 1 2.333 0.020 A 85 PRO HBx H 1 1.809 0.020 A 85 PRO HDy H 1 4.188 0.020 A 85 PRO HDx H 1 3.415 0.020 A 85 PRO HGy H 1 1.877 0.020 A 85 PRO HGx H 1 1.767 0.020 A 85 PRO C C 13 174.401 0.200 A 85 PRO CA C 13 63.714 0.200 A 85 PRO CB C 13 31.993 0.200 A 85 PRO CD C 13 50.344 0.200 A 85 PRO CG C 13 26.758 0.200 A 86 THR H H 1 8.539 0.020 A 86 THR HA H 1 4.382 0.020 A 86 THR HB H 1 4.324 0.020 A 86 THR HG2% H 1 1.116 0.020 A 86 THR C C 13 175.325 0.200 A 86 THR CA C 13 61.794 0.200 A 86 THR CB C 13 69.694 0.200 A 86 THR CG2 C 13 21.657 0.200 A 86 THR N N 15 108.966 0.200 A 87 ASP H H 1 7.462 0.020 A 87 ASP HA H 1 4.602 0.020 A 87 ASP HBx H 1 2.208 0.020 A 87 ASP HBy H 1 2.940 0.020 A 87 ASP C C 13 173.215 0.200 A 87 ASP CA C 13 52.513 0.200 A 87 ASP CB C 13 38.713 0.200 A 87 ASP N N 15 124.547 0.200 A 88 ILE H H 1 7.528 0.020 A 88 ILE HA H 1 4.055 0.020 A 88 ILE HB H 1 0.755 0.020 A 88 ILE HD1% H 1 0.187 0.020 A 88 ILE HG1y H 1 0.035 0.020 A 88 ILE HG1x H 1 -0.239 0.020 A 88 ILE HG2% H 1 -0.085 0.020 A 88 ILE C C 13 171.223 0.200 A 88 ILE CA C 13 57.106 0.200 A 88 ILE CB C 13 39.387 0.200 A 88 ILE CD1 C 13 13.841 0.200 A 88 ILE CG1 C 13 27.349 0.200 A 88 ILE CG2 C 13 15.815 0.200 A 88 ILE N N 15 120.733 0.200 A 89 LYS H H 1 6.708 0.020 A 89 LYS HA H 1 4.354 0.020 A 89 LYS HBy H 1 1.626 0.020 A 89 LYS HBx H 1 1.485 0.020 A 89 LYS HD2 H 1 1.680 0.020 A 89 LYS HD3 H 1 1.680 0.020 A 89 LYS HE2 H 1 2.970 0.020 A 89 LYS HE3 H 1 2.970 0.020 A 89 LYS HGy H 1 1.314 0.020 A 89 LYS HGx H 1 1.232 0.020 A 89 LYS C C 13 175.559 0.200 A 89 LYS CA C 13 53.820 0.200 A 89 LYS CB C 13 34.650 0.200 A 89 LYS CD C 13 28.917 0.200 A 89 LYS CE C 13 42.063 0.200 A 89 LYS CG C 13 24.331 0.200 A 89 LYS N N 15 124.086 0.200 A 90 TYR H H 1 9.059 0.020 A 90 TYR HA H 1 4.837 0.020 A 90 TYR HBy H 1 3.547 0.020 A 90 TYR HBx H 1 2.807 0.020 A 90 TYR HD1 H 1 6.891 0.020 A 90 TYR HD2 H 1 6.891 0.020 A 90 TYR HE1 H 1 6.500 0.020 A 90 TYR HE2 H 1 6.500 0.020 A 90 TYR C C 13 175.794 0.200 A 90 TYR CA C 13 57.917 0.200 A 90 TYR CB C 13 40.119 0.200 A 90 TYR CD1 C 13 132.077 0.200 A 90 TYR CE1 C 13 117.508 0.200 A 90 TYR N N 15 126.256 0.200 A 91 LYS H H 1 9.022 0.020 A 91 LYS HA H 1 4.612 0.020 A 91 LYS HBy H 1 2.000 0.020 A 91 LYS HBx H 1 1.560 0.020 A 91 LYS HDy H 1 1.561 0.020 A 91 LYS HDx H 1 1.468 0.020 A 91 LYS HEx H 1 2.764 0.020 A 91 LYS HEy H 1 2.924 0.020 A 91 LYS HG2 H 1 1.147 0.020 A 91 LYS HG3 H 1 1.147 0.020 A 91 LYS C C 13 174.622 0.200 A 91 LYS CA C 13 55.329 0.200 A 91 LYS CB C 13 33.712 0.200 A 91 LYS CD C 13 29.296 0.200 A 91 LYS CE C 13 41.424 0.200 A 91 LYS CG C 13 23.331 0.200 A 91 LYS N N 15 119.287 0.200 A 92 ASP H H 1 7.792 0.020 A 92 ASP HA H 1 4.758 0.020 A 92 ASP HBy H 1 3.289 0.020 A 92 ASP HBx H 1 2.965 0.020 A 92 ASP C C 13 176.028 0.200 A 92 ASP CA C 13 52.213 0.200 A 92 ASP CB C 13 41.966 0.200 A 92 ASP N N 15 118.301 0.200 A 93 ASN HA H 1 4.712 0.020 A 93 ASN HBy H 1 2.899 0.020 A 93 ASN HBx H 1 2.766 0.020 A 93 ASN HD2y H 1 7.645 0.020 A 93 ASN HD2x H 1 6.943 0.020 A 93 ASN C C 13 175.749 0.200 A 93 ASN CA C 13 54.156 0.200 A 93 ASN CB C 13 38.244 0.200 A 93 ASN ND2 N 15 113.050 0.200 A 94 ASP H H 1 8.011 0.020 A 94 ASP HA H 1 4.640 0.020 A 94 ASP HBy H 1 2.564 0.020 A 94 ASP HBx H 1 2.428 0.020 A 94 ASP C C 13 175.676 0.200 A 94 ASP CA C 13 54.469 0.200 A 94 ASP CB C 13 42.143 0.200 A 94 ASP N N 15 118.432 0.200 A 95 GLY H H 1 7.836 0.020 A 95 GLY HAx H 1 3.290 0.020 A 95 GLY HAy H 1 3.988 0.020 A 95 GLY C C 13 175.501 0.200 A 95 GLY CA C 13 46.913 0.200 A 95 GLY N N 15 103.706 0.200 A 96 HIS H H 1 8.920 0.020 A 96 HIS HA H 1 4.886 0.020 A 96 HIS HBx H 1 3.015 0.020 A 96 HIS HBy H 1 3.473 0.020 A 96 HIS HD2 H 1 7.336 0.020 A 96 HIS C C 13 174.446 0.200 A 96 HIS CA C 13 57.985 0.200 A 96 HIS CB C 13 28.868 0.200 A 96 HIS CD2 C 13 119.931 0.200 A 96 HIS N N 15 117.907 0.200 A 96 HIS ND1 N 15 181.595 0.200 A 96 HIS NE2 N 15 185.507 0.200 A 97 THR H H 1 9.931 0.020 A 97 THR HA H 1 4.787 0.020 A 97 THR HB H 1 3.894 0.020 A 97 THR HG2% H 1 1.187 0.020 A 97 THR C C 13 171.340 0.200 A 97 THR CA C 13 60.812 0.200 A 97 THR CB C 13 70.797 0.200 A 97 THR CG2 C 13 19.512 0.200 A 97 THR N N 15 117.315 0.200 A 98 ASP H H 1 9.000 0.020 A 98 ASP HA H 1 5.101 0.020 A 98 ASP HBy H 1 2.807 0.020 A 98 ASP HBx H 1 2.450 0.020 A 98 ASP C C 13 177.200 0.200 A 98 ASP CA C 13 54.374 0.200 A 98 ASP CB C 13 41.838 0.200 A 98 ASP N N 15 126.453 0.200 A 99 ALA H H 1 8.502 0.020 A 99 ALA HA H 1 4.113 0.020 A 99 ALA HB% H 1 1.303 0.020 A 99 ALA C C 13 176.321 0.200 A 99 ALA CA C 13 53.912 0.200 A 99 ALA CB C 13 20.408 0.200 A 99 ALA N N 15 122.574 0.200 A 100 ILE H H 1 7.513 0.020 A 100 ILE HA H 1 4.146 0.020 A 100 ILE HB H 1 1.539 0.020 A 100 ILE HD1% H 1 0.529 0.020 A 100 ILE HG1y H 1 0.845 0.020 A 100 ILE HG1x H 1 0.137 0.020 A 100 ILE HG2% H 1 0.589 0.020 A 100 ILE C C 13 174.856 0.200 A 100 ILE CA C 13 59.582 0.200 A 100 ILE CB C 13 38.764 0.200 A 100 ILE CD1 C 13 15.365 0.200 A 100 ILE CG1 C 13 25.797 0.200 A 100 ILE CG2 C 13 18.034 0.200 A 100 ILE N N 15 116.394 0.200 A 101 SER H H 1 8.737 0.020 A 101 SER HA H 1 4.105 0.020 A 101 SER HBy H 1 3.845 0.020 A 101 SER HBx H 1 3.823 0.020 A 101 SER C C 13 175.911 0.200 A 101 SER CA C 13 60.329 0.200 A 101 SER CB C 13 62.525 0.200 A 101 SER N N 15 123.823 0.200 A 102 GLY H H 1 8.883 0.020 A 102 GLY HAy H 1 4.116 0.020 A 102 GLY HAx H 1 3.622 0.020 A 102 GLY C C 13 173.508 0.200 A 102 GLY CA C 13 45.314 0.200 A 102 GLY N N 15 113.568 0.200 A 103 ALA H H 1 8.011 0.020 A 103 ALA HA H 1 5.144 0.020 A 103 ALA HB% H 1 1.114 0.020 A 103 ALA C C 13 176.497 0.200 A 103 ALA CA C 13 50.404 0.200 A 103 ALA CB C 13 18.348 0.200 A 103 ALA N N 15 122.903 0.200 A 104 THR H H 1 9.044 0.020 A 104 THR HA H 1 4.645 0.020 A 104 THR HB H 1 4.430 0.020 A 104 THR HG2% H 1 1.122 0.020 A 104 THR C C 13 175.969 0.200 A 104 THR CA C 13 61.477 0.200 A 104 THR CB C 13 69.313 0.200 A 104 THR CG2 C 13 21.929 0.200 A 104 THR N N 15 115.408 0.200 A 105 ILE H H 1 7.228 0.020 A 105 ILE HA H 1 4.542 0.020 A 105 ILE HB H 1 2.328 0.020 A 105 ILE HD1% H 1 0.618 0.020 A 105 ILE HG1y H 1 1.279 0.020 A 105 ILE HG1x H 1 1.158 0.020 A 105 ILE HG2% H 1 1.049 0.020 A 105 ILE C C 13 175.911 0.200 A 105 ILE CA C 13 61.069 0.200 A 105 ILE CB C 13 40.036 0.200 A 105 ILE CD1 C 13 14.337 0.200 A 105 ILE CG1 C 13 23.505 0.200 A 105 ILE CG2 C 13 18.255 0.200 A 105 ILE N N 15 115.014 0.200 A 106 LYS H H 1 8.707 0.020 A 106 LYS HA H 1 3.747 0.020 A 106 LYS HBy H 1 1.859 0.020 A 106 LYS HBx H 1 1.809 0.020 A 106 LYS HD2 H 1 1.517 0.020 A 106 LYS HD3 H 1 1.517 0.020 A 106 LYS HE2 H 1 3.005 0.020 A 106 LYS HE3 H 1 3.005 0.020 A 106 LYS HG2 H 1 1.326 0.020 A 106 LYS HG3 H 1 1.326 0.020 A 106 LYS C C 13 179.016 0.200 A 106 LYS CA C 13 58.208 0.200 A 106 LYS CB C 13 32.618 0.200 A 106 LYS CD C 13 29.986 0.200 A 106 LYS CE C 13 42.137 0.200 A 106 LYS CG C 13 24.910 0.200 A 106 LYS N N 15 120.733 0.200 A 107 VAL H H 1 8.422 0.020 A 107 VAL HA H 1 5.028 0.020 A 107 VAL HB H 1 2.695 0.020 A 107 VAL HGx% H 1 1.079 0.020 A 107 VAL HGy% H 1 1.194 0.020 A 107 VAL C C 13 176.204 0.200 A 107 VAL CA C 13 60.790 0.200 A 107 VAL CB C 13 33.376 0.200 A 107 VAL CG1 C 13 22.209 0.200 A 107 VAL CG2 C 13 19.159 0.200 A 107 VAL N N 15 112.713 0.200 A 108 LYS H H 1 7.242 0.020 A 108 LYS HA H 1 4.773 0.020 A 108 LYS HBy H 1 1.676 0.020 A 108 LYS HBx H 1 1.235 0.020 A 108 LYS HD2 H 1 1.678 0.020 A 108 LYS HD3 H 1 1.678 0.020 A 108 LYS HE2 H 1 2.966 0.020 A 108 LYS HE3 H 1 2.966 0.020 A 108 LYS HG2 H 1 1.247 0.020 A 108 LYS HG3 H 1 1.247 0.020 A 108 LYS C C 13 177.083 0.200 A 108 LYS CA C 13 59.438 0.200 A 108 LYS CB C 13 33.678 0.200 A 108 LYS CD C 13 28.962 0.200 A 108 LYS CE C 13 42.137 0.200 A 108 LYS CG C 13 24.466 0.200 A 108 LYS N N 15 124.875 0.200 A 109 LYS H H 1 8.737 0.020 A 109 LYS HA H 1 4.006 0.020 A 109 LYS HBy H 1 1.901 0.020 A 109 LYS HBx H 1 1.751 0.020 A 109 LYS HDy H 1 1.819 0.020 A 109 LYS HDx H 1 1.795 0.020 A 109 LYS HE2 H 1 3.091 0.020 A 109 LYS HE3 H 1 3.091 0.020 A 109 LYS HGy H 1 1.616 0.020 A 109 LYS HGx H 1 1.564 0.020 A 109 LYS C C 13 178.430 0.200 A 109 LYS CA C 13 59.230 0.200 A 109 LYS CB C 13 32.306 0.200 A 109 LYS CD C 13 29.298 0.200 A 109 LYS CE C 13 41.842 0.200 A 109 LYS CG C 13 25.058 0.200 A 109 LYS N N 15 116.131 0.200 A 110 PHE H H 1 6.568 0.020 A 110 PHE HA H 1 3.036 0.020 A 110 PHE HBx H 1 0.329 0.020 A 110 PHE HBy H 1 2.059 0.020 A 110 PHE HD1 H 1 5.421 0.020 A 110 PHE HD2 H 1 5.421 0.020 A 110 PHE HE1 H 1 6.408 0.020 A 110 PHE HE2 H 1 6.408 0.020 A 110 PHE HZ H 1 6.697 0.020 A 110 PHE C C 13 175.676 0.200 A 110 PHE CA C 13 60.960 0.200 A 110 PHE CB C 13 35.900 0.200 A 110 PHE CD1 C 13 131.979 0.200 A 110 PHE CE1 C 13 129.187 0.200 A 110 PHE CZ C 13 127.214 0.200 A 110 PHE N N 15 114.751 0.200 A 111 PHE H H 1 7.132 0.020 A 111 PHE HA H 1 3.464 0.020 A 111 PHE HBx H 1 3.115 0.020 A 111 PHE HBy H 1 3.248 0.020 A 111 PHE HD1 H 1 7.567 0.020 A 111 PHE HD2 H 1 7.567 0.020 A 111 PHE HE1 H 1 7.141 0.020 A 111 PHE HE2 H 1 7.141 0.020 A 111 PHE C C 13 178.430 0.200 A 111 PHE CA C 13 63.753 0.200 A 111 PHE CB C 13 38.244 0.200 A 111 PHE CD1 C 13 132.717 0.200 A 111 PHE CE1 C 13 129.888 0.200 A 111 PHE N N 15 117.512 0.200 A 112 ASP H H 1 8.861 0.020 A 112 ASP HA H 1 4.188 0.020 A 112 ASP HBy H 1 2.670 0.020 A 112 ASP HBx H 1 2.493 0.020 A 112 ASP C C 13 179.954 0.200 A 112 ASP CA C 13 57.502 0.200 A 112 ASP CB C 13 39.799 0.200 A 112 ASP N N 15 120.602 0.200 A 113 LEU H H 1 7.828 0.020 A 113 LEU HA H 1 3.841 0.020 A 113 LEU HBy H 1 1.726 0.020 A 113 LEU HBx H 1 0.803 0.020 A 113 LEU HD1% H 1 0.427 0.020 A 113 LEU HD2% H 1 0.427 0.020 A 113 LEU HG H 1 0.579 0.020 A 113 LEU C C 13 178.196 0.200 A 113 LEU CA C 13 57.165 0.200 A 113 LEU CB C 13 41.178 0.200 A 113 LEU CD1 C 13 22.987 0.200 A 113 LEU CG C 13 26.684 0.200 A 113 LEU N N 15 121.062 0.200 A 114 ALA H H 1 8.583 0.020 A 114 ALA HA H 1 3.481 0.020 A 114 ALA HB% H 1 0.672 0.020 A 114 ALA C C 13 178.841 0.200 A 114 ALA CA C 13 54.938 0.200 A 114 ALA CB C 13 17.483 0.200 A 114 ALA N N 15 122.574 0.200 A 115 GLN H H 1 7.975 0.020 A 115 GLN HA H 1 3.705 0.020 A 115 GLN HBx H 1 2.002 0.020 A 115 GLN HBy H 1 2.039 0.020 A 115 GLN HE2y H 1 7.176 0.020 A 115 GLN HE2x H 1 6.950 0.020 A 115 GLN HGx H 1 2.174 0.020 A 115 GLN HGy H 1 2.490 0.020 A 115 GLN C C 13 178.489 0.200 A 115 GLN CA C 13 58.864 0.200 A 115 GLN CB C 13 28.302 0.200 A 115 GLN CG C 13 34.078 0.200 A 115 GLN N N 15 114.948 0.200 A 115 GLN NE2 N 15 111.142 0.200 A 116 LYS H H 1 7.396 0.020 A 116 LYS HA H 1 3.872 0.020 A 116 LYS HB2 H 1 1.801 0.020 A 116 LYS HB3 H 1 1.801 0.020 A 116 LYS HDy H 1 1.646 0.020 A 116 LYS HDx H 1 1.516 0.020 A 116 LYS HE2 H 1 3.008 0.020 A 116 LYS HE3 H 1 3.008 0.020 A 116 LYS HG2 H 1 1.327 0.020 A 116 LYS HG3 H 1 1.327 0.020 A 116 LYS C C 13 179.016 0.200 A 116 LYS CA C 13 59.614 0.200 A 116 LYS CB C 13 32.618 0.200 A 116 LYS CD C 13 29.992 0.200 A 116 LYS CE C 13 42.137 0.200 A 116 LYS CG C 13 24.836 0.200 A 116 LYS N N 15 120.076 0.200 A 117 ALA H H 1 8.678 0.020 A 117 ALA HA H 1 3.949 0.020 A 117 ALA HB% H 1 1.171 0.020 A 117 ALA C C 13 179.368 0.200 A 117 ALA CA C 13 54.813 0.200 A 117 ALA CB C 13 17.715 0.200 A 117 ALA N N 15 121.062 0.200 A 118 LEU H H 1 7.330 0.020 A 118 LEU HA H 1 3.830 0.020 A 118 LEU HBy H 1 1.560 0.020 A 118 LEU HBx H 1 1.443 0.020 A 118 LEU HDx% H 1 0.633 0.020 A 118 LEU HDy% H 1 0.262 0.020 A 118 LEU HG H 1 1.518 0.020 A 118 LEU C C 13 178.137 0.200 A 118 LEU CA C 13 55.017 0.200 A 118 LEU CB C 13 41.423 0.200 A 118 LEU CD1 C 13 25.366 0.200 A 118 LEU CD2 C 13 21.831 0.200 A 118 LEU CG C 13 26.733 0.200 A 118 LEU N N 15 112.844 0.200 A 119 LYS H H 1 7.513 0.020 A 119 LYS HA H 1 4.038 0.020 A 119 LYS HBy H 1 1.959 0.020 A 119 LYS HBx H 1 1.859 0.020 A 119 LYS HD2 H 1 1.048 0.020 A 119 LYS HD3 H 1 1.048 0.020 A 119 LYS HEy H 1 2.814 0.020 A 119 LYS HEx H 1 2.785 0.020 A 119 LYS HG2 H 1 1.508 0.020 A 119 LYS HG3 H 1 1.508 0.020 A 119 LYS C C 13 178.079 0.200 A 119 LYS CA C 13 59.216 0.200 A 119 LYS CB C 13 32.150 0.200 A 119 LYS CD C 13 29.257 0.200 A 119 LYS CE C 13 42.211 0.200 A 119 LYS CG C 13 24.318 0.200 A 119 LYS N N 15 122.377 0.200 A 120 ASP H H 1 8.217 0.020 A 120 ASP HA H 1 4.770 0.020 A 120 ASP HBy H 1 2.957 0.020 A 120 ASP HBx H 1 2.741 0.020 A 120 ASP C C 13 176.614 0.200 A 120 ASP CA C 13 55.143 0.200 A 120 ASP CB C 13 40.900 0.200 A 120 ASP N N 15 118.235 0.200 A 121 ALA H H 1 7.609 0.020 A 121 ALA HA H 1 4.254 0.020 A 121 ALA HB% H 1 1.044 0.020 A 121 ALA C C 13 177.786 0.200 A 121 ALA CA C 13 53.436 0.200 A 121 ALA CB C 13 19.024 0.200 A 121 ALA N N 15 121.917 0.200 A 122 GLU H H 1 7.916 0.020 A 122 GLU HA H 1 4.329 0.020 A 122 GLU HBy H 1 2.092 0.020 A 122 GLU HBx H 1 1.926 0.020 A 122 GLU HGy H 1 2.296 0.020 A 122 GLU HGx H 1 2.178 0.020 A 122 GLU C C 13 176.497 0.200 A 122 GLU CA C 13 56.139 0.200 A 122 GLU CB C 13 30.118 0.200 A 122 GLU CG C 13 36.000 0.200 A 122 GLU N N 15 117.118 0.200 A 123 LYS H H 1 7.975 0.020 A 123 LYS HA H 1 4.246 0.020 A 123 LYS HBx H 1 1.762 0.020 A 123 LYS HBy H 1 1.830 0.020 A 123 LYS HD2 H 1 1.683 0.020 A 123 LYS HD3 H 1 1.683 0.020 A 123 LYS HE2 H 1 3.044 0.020 A 123 LYS HE3 H 1 3.044 0.020 A 123 LYS HGy H 1 1.466 0.020 A 123 LYS HGx H 1 1.379 0.020 A 123 LYS C C 13 176.497 0.200 A 123 LYS CA C 13 56.728 0.200 A 123 LYS CB C 13 32.982 0.200 A 123 LYS CD C 13 29.124 0.200 A 123 LYS CE C 13 42.063 0.200 A 123 LYS CG C 13 24.855 0.200 A 123 LYS N N 15 121.325 0.200 A 124 LEU H H 1 8.239 0.020 A 124 LEU HA H 1 4.288 0.020 A 124 LEU HBy H 1 1.606 0.020 A 124 LEU HBx H 1 1.511 0.020 A 124 LEU HDx% H 1 0.895 0.020 A 124 LEU HDy% H 1 0.830 0.020 A 124 LEU HG H 1 1.568 0.020 A 124 LEU C C 13 177.258 0.200 A 124 LEU CA C 13 55.143 0.200 A 124 LEU CB C 13 42.307 0.200 A 124 LEU CD1 C 13 24.923 0.200 A 124 LEU CD2 C 13 23.370 0.200 A 124 LEU CG C 13 26.980 0.200 A 124 LEU N N 15 123.100 0.200 A 125 GLU H H 1 8.297 0.020 A 125 GLU HA H 1 4.204 0.020 A 125 GLU HBy H 1 1.902 0.020 A 125 GLU HBx H 1 1.855 0.020 A 125 GLU HGy H 1 2.182 0.020 A 125 GLU HGx H 1 2.118 0.020 A 125 GLU C C 13 176.087 0.200 A 125 GLU CA C 13 56.455 0.200 A 125 GLU CB C 13 30.357 0.200 A 125 GLU CG C 13 36.074 0.200 A 125 GLU N N 15 121.062 0.200 A 126 HIS H H 1 8.261 0.020 A 126 HIS C C 13 174.856 0.200 A 126 HIS CA C 13 55.787 0.200 A 126 HIS CB C 13 30.275 0.200 A 126 HIS N N 15 119.682 0.200 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 LYS H A 4 GLY H 1.0 0.0 5.74 2 2 A 2 LYS H A 1 MET HA 1.0 0.0 3.21 3 3 A 2 LYS H A 1 MET HGy 1.0 0.0 5.15 4 4 A 2 LYS H A 1 MET HGx 1.0 0.0 5.15 5 5 A 2 LYS H A 26 VAL HB 1.0 0.0 5.51 6 6 A 2 LYS H A 2 LYS HGy 1.0 0.0 5.40 7 7 A 2 LYS H A 2 LYS HGx 1.0 0.0 5.40 8 8 A 2 LYS H A 121 ALA HB% 1.0 0.0 4.08 9 9 A 2 LYS H A 26 VAL HGx% 1.0 0.0 4.94 10 10 A 2 LYS H A 3 ASP H 1.0 0.0 4.78 11 11 A 3 ASP H A 2 LYS HA 1.0 0.0 2.74 12 12 A 3 ASP H A 3 ASP HB2 1.0 0.0 3.21 13 12 A 3 ASP H A 3 ASP HB3 1.0 0.0 3.21 14 13 A 26 VAL HB A 3 ASP H 1.0 0.0 5.68 15 14 A 3 ASP H A 2 LYS HBy 1.0 0.0 4.89 16 15 A 3 ASP H A 2 LYS HGy 1.0 0.0 5.26 17 16 A 3 ASP H A 26 VAL HGy% 1.0 0.0 6.30 18 17 A 26 VAL HGx% A 3 ASP H 1.0 0.0 4.17 19 18 A 4 GLY H A 26 VAL H 1.0 0.0 3.75 20 19 A 4 GLY H A 25 GLU HA 1.0 0.0 5.45 21 20 A 4 GLY H A 5 THR HA 1.0 0.0 5.79 22 21 A 4 GLY H A 26 VAL HA 1.0 0.0 6.12 23 22 A 4 GLY H A 27 LYS HA 1.0 0.0 5.05 24 23 A 4 GLY H A 3 ASP HA 1.0 0.0 3.14 25 24 A 4 GLY H A 3 ASP HB2 1.0 0.0 3.78 26 24 A 4 GLY H A 3 ASP HB3 1.0 0.0 3.78 27 25 A 4 GLY H A 26 VAL HB 1.0 0.0 3.49 28 26 A 4 GLY H A 25 GLU HGx 1.0 0.0 5.55 29 27 A 4 GLY H A 26 VAL HGy% 1.0 0.0 4.25 30 28 A 4 GLY H A 26 VAL HGx% 1.0 0.0 3.84 31 29 A 5 THR H A 6 TYR H 1.0 0.0 4.55 32 30 A 4 GLY H A 5 THR H 1.0 0.0 4.50 33 31 A 25 GLU HA A 5 THR H 1.0 0.0 5.88 34 32 A 5 THR H A 6 TYR HA 1.0 0.0 5.08 35 33 A 5 THR H A 4 GLY HAy 1.0 0.0 3.36 36 34 A 5 THR H A 4 GLY HAx 1.0 0.0 3.36 37 35 A 5 THR H A 5 THR HB 1.0 0.0 3.38 38 36 A 5 THR H A 5 THR HG2% 1.0 0.0 4.43 39 37 A 6 TYR H A 7 TYR H 1.0 0.0 4.75 40 38 A 6 TYR H A 6 TYR HD% 1.0 0.0 3.58 41 39 A 25 GLU HA A 6 TYR H 1.0 0.0 4.04 42 40 A 5 THR HA A 6 TYR H 1.0 0.0 2.98 43 41 A 6 TYR H A 5 THR HB 1.0 0.0 4.75 44 42 A 6 TYR H A 6 TYR HBy 1.0 0.0 4.08 45 43 A 6 TYR H A 6 TYR HBx 1.0 0.0 3.71 46 44 A 6 TYR H A 24 ILE HB 1.0 0.0 4.42 47 45 A 6 TYR H A 23 THR HG2% 1.0 0.0 4.50 48 46 A 6 TYR H A 117 ALA HB% 1.0 0.0 4.92 49 47 A 6 TYR H A 5 THR HG2% 1.0 0.0 3.48 50 48 A 6 TYR H A 24 ILE HG2% 1.0 0.0 4.61 51 49 A 7 TYR H A 8 ALA H 1.0 0.0 4.81 52 50 A 7 TYR H A 6 TYR HD% 1.0 0.0 5.07 53 51 A 7 TYR H A 23 THR HA 1.0 0.0 5.04 54 52 A 6 TYR HA A 7 TYR H 1.0 0.0 2.87 55 53 A 7 TYR H A 117 ALA HA 1.0 0.0 4.74 56 54 A 7 TYR H A 7 TYR HBy 1.0 0.0 4.08 57 55 A 7 TYR H A 7 TYR HBx 1.0 0.0 3.49 58 56 A 7 TYR H A 6 TYR HBx 1.0 0.0 4.66 59 57 A 7 TYR H A 23 THR HG2% 1.0 0.0 5.22 60 58 A 7 TYR H A 117 ALA HB% 1.0 0.0 3.91 61 59 A 5 THR HG2% A 7 TYR H 1.0 0.0 5.09 62 60 A 8 ALA H A 24 ILE H 1.0 0.0 5.66 63 61 A 8 ALA H A 22 VAL H 1.0 0.0 3.38 64 62 A 8 ALA H A 7 TYR HD% 1.0 0.0 4.01 65 63 A 8 ALA H A 7 TYR HE% 1.0 0.0 5.04 66 64 A 8 ALA H A 7 TYR HA 1.0 0.0 2.89 67 65 A 8 ALA H A 23 THR HA 1.0 0.0 4.24 68 66 A 8 ALA H A 9 GLU HA 1.0 0.0 5.55 69 67 A 8 ALA H A 22 VAL HA 1.0 0.0 5.96 70 68 A 8 ALA H A 21 THR HA 1.0 0.0 4.86 71 69 A 8 ALA H A 7 TYR HBy 1.0 0.0 4.32 72 70 A 8 ALA H A 7 TYR HBx 1.0 0.0 4.58 73 71 A 8 ALA H A 22 VAL HB 1.0 0.0 4.18 74 72 A 8 ALA H A 21 THR HG2% 1.0 0.0 5.35 75 73 A 23 THR HG2% A 8 ALA H 1.0 0.0 5.49 76 74 A 8 ALA H A 8 ALA HB% 1.0 0.0 3.28 77 75 A 8 ALA H A 22 VAL HGy% 1.0 0.0 5.12 78 76 A 8 ALA H A 22 VAL HGx% 1.0 0.0 4.92 79 77 A 7 TYR HE% A 9 GLU H 1.0 0.0 5.02 80 78 A 21 THR HA A 9 GLU H 1.0 0.0 5.33 81 79 A 9 GLU H A 8 ALA HA 1.0 0.0 2.80 82 80 A 9 GLU H A 116 LYS HE2 1.0 0.0 5.43 83 80 A 9 GLU H A 116 LYS HE3 1.0 0.0 5.43 84 81 A 9 GLU H A 9 GLU HGy 1.0 0.0 4.05 85 82 A 9 GLU H A 9 GLU HGx 1.0 0.0 4.05 86 83 A 9 GLU H A 9 GLU HBy 1.0 0.0 4.12 87 84 A 9 GLU H A 9 GLU HBx 1.0 0.0 4.24 88 85 A 9 GLU H A 10 ALA HB% 1.0 0.0 6.21 89 86 A 21 THR HG2% A 9 GLU H 1.0 0.0 4.68 90 87 A 8 ALA HB% A 9 GLU H 1.0 0.0 3.16 91 88 A 9 GLU H A 113 LEU HG 1.0 0.0 6.18 92 89 A 9 GLU H A 113 LEU HD1% 1.0 0.0 4.04 93 89 A 9 GLU H A 113 LEU HD2% 1.0 0.0 4.04 94 90 A 10 ALA H A 11 ASP H 1.0 0.0 5.03 95 91 A 10 ALA H A 20 ASP H 1.0 0.0 4.43 96 92 A 10 ALA H A 38 ALA HA 1.0 0.0 6.30 97 93 A 9 GLU HA A 10 ALA H 1.0 0.0 3.00 98 94 A 21 THR HA A 10 ALA H 1.0 0.0 4.09 99 95 A 10 ALA H A 9 GLU HGy 1.0 0.0 5.09 100 96 A 10 ALA H A 9 GLU HGx 1.0 0.0 5.09 101 97 A 9 GLU HBy A 10 ALA H 1.0 0.0 4.37 102 98 A 9 GLU HBx A 10 ALA H 1.0 0.0 3.69 103 99 A 10 ALA HB% A 10 ALA H 1.0 0.0 3.02 104 100 A 21 THR HG2% A 10 ALA H 1.0 0.0 4.27 105 101 A 10 ALA H A 19 LYS HG2 1.0 0.0 4.02 106 101 A 10 ALA H A 19 LYS HG3 1.0 0.0 4.02 107 102 A 113 LEU HG A 10 ALA H 1.0 0.0 4.13 108 103 A 10 ALA H A 113 LEU HD1% 1.0 0.0 3.86 109 103 A 113 LEU HD2% A 10 ALA H 1.0 0.0 3.86 110 104 A 11 ASP H A 12 ASP H 1.0 0.0 3.24 111 105 A 11 ASP H A 10 ALA HA 1.0 0.0 2.90 112 106 A 11 ASP H A 11 ASP HBy 1.0 0.0 3.84 113 107 A 11 ASP H A 11 ASP HBx 1.0 0.0 3.84 114 108 A 10 ALA HB% A 11 ASP H 1.0 0.0 3.16 115 109 A 41 LYS HBy A 42 ASP H 1.0 0.0 3.90 116 110 A 42 ASP H A 41 LYS HG2 1.0 0.0 4.43 117 110 A 42 ASP H A 41 LYS HG3 1.0 0.0 4.43 118 111 A 11 ASP H A 113 LEU HD1% 1.0 0.0 4.21 119 111 A 113 LEU HD2% A 11 ASP H 1.0 0.0 4.21 120 112 A 12 ASP H A 13 PHE H 1.0 0.0 4.69 121 113 A 12 ASP H A 12 ASP HBx 1.0 0.0 4.12 122 114 A 10 ALA HB% A 12 ASP H 1.0 0.0 3.32 123 115 A 13 PHE H A 14 ASP H 1.0 0.0 5.07 124 116 A 13 PHE H A 13 PHE HD% 1.0 0.0 3.42 125 117 A 13 PHE H A 12 ASP HA 1.0 0.0 3.13 126 118 A 13 PHE H A 13 PHE HBy 1.0 0.0 3.54 127 119 A 14 ASP H A 19 LYS H 1.0 0.0 5.09 128 120 A 14 ASP H A 18 TRP H 1.0 0.0 3.65 129 121 A 14 ASP H A 13 PHE HD% 1.0 0.0 4.36 130 122 A 14 ASP H A 18 TRP HA 1.0 0.0 5.13 131 123 A 14 ASP H A 13 PHE HA 1.0 0.0 3.00 132 124 A 14 ASP H A 14 ASP HBy 1.0 0.0 4.06 133 125 A 14 ASP H A 18 TRP HBy 1.0 0.0 5.08 134 126 A 14 ASP H A 14 ASP HBx 1.0 0.0 4.06 135 127 A 14 ASP H A 13 PHE HBx 1.0 0.0 3.86 136 128 A 14 ASP H A 19 LYS HBx 1.0 0.0 5.59 137 129 A 15 GLU H A 16 SER H 1.0 0.0 3.79 138 130 A 15 GLU H A 14 ASP HBy 1.0 0.0 3.86 139 131 A 15 GLU H A 14 ASP HBx 1.0 0.0 3.86 140 132 A 15 GLU H A 15 GLU HGy 1.0 0.0 4.62 141 133 A 15 GLU H A 15 GLU HGx 1.0 0.0 4.62 142 134 A 15 GLU H A 15 GLU HBy 1.0 0.0 4.20 143 135 A 16 SER H A 15 GLU HA 1.0 0.0 3.66 144 136 A 16 SER H A 15 GLU HBy 1.0 0.0 5.25 145 137 A 16 SER H A 15 GLU HBx 1.0 0.0 5.25 146 138 A 15 GLU H A 17 GLY H 1.0 0.0 4.96 147 139 A 14 ASP H A 17 GLY H 1.0 0.0 4.70 148 140 A 16 SER H A 17 GLY H 1.0 0.0 3.17 149 141 A 15 GLU HA A 17 GLY H 1.0 0.0 4.16 150 142 A 13 PHE HBx A 17 GLY H 1.0 0.0 4.64 151 143 A 18 TRP HE1 A 56 TYR HD% 1.0 0.0 4.87 152 144 A 19 LYS H A 19 LYS HE2 1.0 0.0 4.94 153 144 A 19 LYS H A 19 LYS HE3 1.0 0.0 4.94 154 145 A 19 LYS H A 18 TRP H 1.0 0.0 4.95 155 146 A 18 TRP H A 13 PHE HA 1.0 0.0 4.97 156 147 A 18 TRP H A 18 TRP HBy 1.0 0.0 3.51 157 148 A 18 TRP H A 13 PHE HBx 1.0 0.0 4.02 158 149 A 13 PHE HD% A 19 LYS H 1.0 0.0 4.00 159 150 A 19 LYS H A 18 TRP HA 1.0 0.0 3.13 160 151 A 19 LYS H A 18 TRP HBy 1.0 0.0 4.87 161 152 A 19 LYS H A 18 TRP HBx 1.0 0.0 4.29 162 153 A 19 LYS H A 39 ILE HB 1.0 0.0 4.87 163 154 A 19 LYS H A 39 ILE HG1y 1.0 0.0 4.64 164 155 A 19 LYS H A 19 LYS HBy 1.0 0.0 3.78 165 156 A 21 THR HG2% A 19 LYS H 1.0 0.0 5.24 166 157 A 19 LYS H A 38 ALA HB% 1.0 0.0 4.09 167 158 A 19 LYS H A 19 LYS HBx 1.0 0.0 4.01 168 159 A 20 ASP H A 19 LYS H 1.0 0.0 5.06 169 160 A 20 ASP H A 19 LYS HA 1.0 0.0 3.20 170 161 A 20 ASP H A 13 PHE HA 1.0 0.0 5.03 171 162 A 20 ASP H A 20 ASP HBy 1.0 0.0 4.00 172 163 A 20 ASP H A 20 ASP HBx 1.0 0.0 4.00 173 164 A 10 ALA HB% A 20 ASP H 1.0 0.0 3.54 174 165 A 20 ASP H A 19 LYS HBy 1.0 0.0 5.06 175 166 A 20 ASP H A 19 LYS HG2 1.0 0.0 4.73 176 166 A 20 ASP H A 19 LYS HG3 1.0 0.0 4.73 177 167 A 20 ASP H A 38 ALA HB% 1.0 0.0 5.06 178 168 A 21 THR H A 68 TRP HE1 1.0 0.0 4.92 179 169 A 22 VAL H A 21 THR H 1.0 0.0 4.73 180 170 A 21 THR H A 68 TRP HD1 1.0 0.0 3.93 181 171 A 38 ALA HA A 21 THR H 1.0 0.0 3.66 182 172 A 21 THR H A 20 ASP HA 1.0 0.0 3.03 183 173 A 19 LYS HA A 21 THR H 1.0 0.0 6.30 184 174 A 21 THR H A 20 ASP HBy 1.0 0.0 4.60 185 175 A 21 THR H A 20 ASP HBx 1.0 0.0 4.60 186 176 A 21 THR HG2% A 21 THR H 1.0 0.0 3.75 187 177 A 38 ALA HB% A 21 THR H 1.0 0.0 3.95 188 178 A 22 VAL HGy% A 21 THR H 1.0 0.0 5.06 189 179 A 113 LEU HG A 21 THR H 1.0 0.0 5.47 190 180 A 22 VAL H A 7 TYR HE% 1.0 0.0 5.58 191 181 A 22 VAL H A 7 TYR HA 1.0 0.0 4.92 192 182 A 22 VAL H A 21 THR HA 1.0 0.0 2.97 193 183 A 22 VAL H A 21 THR HB 1.0 0.0 3.59 194 184 A 117 ALA H A 116 LYS HB2 1.0 0.0 3.33 195 184 A 116 LYS HB3 A 117 ALA H 1.0 0.0 3.33 196 185 A 22 VAL H A 22 VAL HB 1.0 0.0 3.54 197 186 A 22 VAL H A 8 ALA HB% 1.0 0.0 4.24 198 187 A 22 VAL H A 22 VAL HGy% 1.0 0.0 3.92 199 188 A 22 VAL H A 113 LEU HG 1.0 0.0 4.75 200 189 A 22 VAL H A 22 VAL HGx% 1.0 0.0 4.20 201 190 A 22 VAL HA A 23 THR H 1.0 0.0 3.11 202 191 A 81 GLU H A 81 GLU HB2 1.0 0.0 3.26 203 191 A 81 GLU H A 81 GLU HB3 1.0 0.0 3.26 204 192 A 81 GLU H A 81 GLU HGx 1.0 0.0 3.39 205 193 A 22 VAL HB A 23 THR H 1.0 0.0 4.62 206 194 A 23 THR H A 34 VAL HGy% 1.0 0.0 4.42 207 195 A 81 GLU H A 80 VAL HGy% 1.0 0.0 5.06 208 196 A 22 VAL HGy% A 23 THR H 1.0 0.0 4.55 209 197 A 24 ILE H A 7 TYR HA 1.0 0.0 4.48 210 198 A 23 THR HA A 24 ILE H 1.0 0.0 3.12 211 199 A 24 ILE H A 23 THR HB 1.0 0.0 5.01 212 200 A 6 TYR HBx A 24 ILE H 1.0 0.0 4.45 213 201 A 24 ILE HB A 24 ILE H 1.0 0.0 3.66 214 202 A 24 ILE H A 24 ILE HG1y 1.0 0.0 4.00 215 203 A 117 ALA HB% A 24 ILE H 1.0 0.0 4.84 216 204 A 5 THR HG2% A 24 ILE H 1.0 0.0 4.45 217 205 A 24 ILE H A 24 ILE HD1% 1.0 0.0 4.43 218 206 A 24 ILE H A 22 VAL HGx% 1.0 0.0 5.02 219 207 A 24 ILE H A 25 GLU H 1.0 0.0 4.69 220 208 A 26 VAL H A 25 GLU H 1.0 0.0 4.51 221 209 A 25 GLU H A 32 VAL H 1.0 0.0 5.11 222 210 A 25 GLU H A 34 VAL H 1.0 0.0 5.26 223 211 A 5 THR HA A 25 GLU H 1.0 0.0 5.95 224 212 A 26 VAL HA A 25 GLU H 1.0 0.0 6.30 225 213 A 25 GLU H A 24 ILE HA 1.0 0.0 3.04 226 214 A 25 GLU H A 25 GLU HBx 1.0 0.0 3.52 227 215 A 24 ILE HB A 25 GLU H 1.0 0.0 4.69 228 216 A 24 ILE HG1y A 25 GLU H 1.0 0.0 5.61 229 217 A 23 THR HG2% A 25 GLU H 1.0 0.0 5.13 230 218 A 24 ILE HG2% A 25 GLU H 1.0 0.0 3.29 231 219 A 26 VAL HGy% A 25 GLU H 1.0 0.0 4.67 232 220 A 25 GLU H A 31 ILE HG2% 1.0 0.0 4.27 233 221 A 24 ILE HD1% A 25 GLU H 1.0 0.0 4.73 234 222 A 26 VAL H A 25 GLU HA 1.0 0.0 3.11 235 223 A 26 VAL H A 5 THR HA 1.0 0.0 4.18 236 224 A 26 VAL HB A 26 VAL H 1.0 0.0 3.72 237 225 A 26 VAL H A 25 GLU HGy 1.0 0.0 4.87 238 226 A 26 VAL H A 25 GLU HBy 1.0 0.0 4.84 239 227 A 26 VAL H A 25 GLU HBx 1.0 0.0 4.87 240 228 A 26 VAL H A 24 ILE HG2% 1.0 0.0 5.01 241 229 A 26 VAL HGy% A 26 VAL H 1.0 0.0 3.72 242 230 A 26 VAL HGx% A 26 VAL H 1.0 0.0 4.34 243 231 A 27 LYS H A 28 ASN H 1.0 0.0 4.50 244 232 A 26 VAL H A 27 LYS H 1.0 0.0 4.86 245 233 A 26 VAL HA A 27 LYS H 1.0 0.0 2.93 246 234 A 27 LYS H A 30 LYS HA 1.0 0.0 5.11 247 235 A 3 ASP HA A 27 LYS H 1.0 0.0 5.10 248 236 A 27 LYS H A 31 ILE HA 1.0 0.0 4.16 249 237 A 26 VAL HB A 27 LYS H 1.0 0.0 4.76 250 238 A 27 LYS H A 1 MET HE% 1.0 0.0 5.72 251 239 A 25 GLU HGx A 27 LYS H 1.0 0.0 6.27 252 240 A 27 LYS H A 27 LYS HBy 1.0 0.0 3.77 253 241 A 27 LYS H A 27 LYS HBx 1.0 0.0 3.82 254 242 A 27 LYS H A 27 LYS HGx 1.0 0.0 6.07 255 243 A 27 LYS H A 32 VAL HGx% 1.0 0.0 3.50 256 244 A 27 LYS H A 32 VAL HGy% 1.0 0.0 3.83 257 245 A 26 VAL HGx% A 27 LYS H 1.0 0.0 3.39 258 246 A 28 ASN HA A 28 ASN HD2y 1.0 0.0 4.61 259 247 A 28 ASN HD2y A 28 ASN HBx 1.0 0.0 3.31 260 248 A 27 LYS HBy A 28 ASN HD2y 1.0 0.0 5.59 261 249 A 28 ASN HD2y A 27 LYS HD2 1.0 0.0 5.76 262 249 A 28 ASN HD2y A 27 LYS HD3 1.0 0.0 5.76 263 250 A 27 LYS HBx A 28 ASN HD2y 1.0 0.0 6.30 264 251 A 28 ASN HD2y A 30 LYS HD2 1.0 0.0 6.30 265 251 A 28 ASN HD2y A 30 LYS HD3 1.0 0.0 6.30 266 252 A 27 LYS HGx A 28 ASN HD2y 1.0 0.0 4.71 267 253 A 28 ASN H A 28 ASN HA 1.0 0.0 2.89 268 254 A 28 ASN H A 28 ASN HBy 1.0 0.0 4.38 269 255 A 28 ASN H A 3 ASP HB2 1.0 0.0 5.01 270 255 A 3 ASP HB3 A 28 ASN H 1.0 0.0 5.01 271 256 A 28 ASN H A 27 LYS HBy 1.0 0.0 4.45 272 257 A 28 ASN H A 27 LYS HBx 1.0 0.0 4.48 273 258 A 28 ASN H A 27 LYS HGx 1.0 0.0 4.34 274 259 A 26 VAL HGx% A 28 ASN H 1.0 0.0 4.87 275 260 A 28 ASN HA A 28 ASN HD2x 1.0 0.0 4.82 276 261 A 28 ASN HBy A 28 ASN HD2x 1.0 0.0 4.23 277 262 A 28 ASN HBx A 28 ASN HD2x 1.0 0.0 3.70 278 263 A 28 ASN HD2x A 27 LYS HD2 1.0 0.0 5.61 279 263 A 27 LYS HD3 A 28 ASN HD2x 1.0 0.0 5.61 280 264 A 28 ASN HD2x A 27 LYS HGy 1.0 0.0 5.30 281 265 A 28 ASN H A 29 GLY H 1.0 0.0 3.41 282 266 A 27 LYS H A 29 GLY H 1.0 0.0 4.61 283 267 A 28 ASN HA A 29 GLY H 1.0 0.0 3.40 284 268 A 3 ASP HA A 29 GLY H 1.0 0.0 4.80 285 269 A 26 VAL HGx% A 29 GLY H 1.0 0.0 3.63 286 270 A 28 ASN H A 30 LYS H 1.0 0.0 4.68 287 271 A 29 GLY H A 30 LYS H 1.0 0.0 3.35 288 272 A 27 LYS H A 30 LYS H 1.0 0.0 3.32 289 273 A 26 VAL HA A 30 LYS H 1.0 0.0 4.86 290 274 A 28 ASN HA A 30 LYS H 1.0 0.0 4.98 291 275 A 28 ASN HBy A 30 LYS H 1.0 0.0 4.44 292 276 A 28 ASN HBx A 30 LYS H 1.0 0.0 4.51 293 277 A 30 LYS H A 30 LYS HB2 1.0 0.0 3.40 294 277 A 30 LYS H A 30 LYS HB3 1.0 0.0 3.40 295 278 A 30 LYS H A 30 LYS HGx 1.0 0.0 4.01 296 279 A 32 VAL HGx% A 30 LYS H 1.0 0.0 4.45 297 280 A 26 VAL HGy% A 30 LYS H 1.0 0.0 5.47 298 281 A 26 VAL HGx% A 30 LYS H 1.0 0.0 3.34 299 282 A 31 ILE H A 83 GLN HE2x 1.0 0.0 3.80 300 283 A 30 LYS H A 31 ILE H 1.0 0.0 4.73 301 284 A 30 LYS HA A 31 ILE H 1.0 0.0 3.11 302 285 A 31 ILE H A 83 GLN HBx 1.0 0.0 5.75 303 286 A 31 ILE H A 30 LYS HB2 1.0 0.0 3.36 304 286 A 30 LYS HB3 A 31 ILE H 1.0 0.0 3.36 305 287 A 31 ILE H A 31 ILE HB 1.0 0.0 3.58 306 288 A 24 ILE HG2% A 31 ILE H 1.0 0.0 5.46 307 289 A 31 ILE H A 31 ILE HG1x 1.0 0.0 3.75 308 290 A 26 VAL HA A 32 VAL H 1.0 0.0 3.84 309 291 A 32 VAL H A 31 ILE HA 1.0 0.0 3.24 310 292 A 32 VAL H A 32 VAL HB 1.0 0.0 4.41 311 293 A 32 VAL H A 25 GLU HBy 1.0 0.0 5.78 312 294 A 32 VAL H A 25 GLU HBx 1.0 0.0 5.29 313 295 A 32 VAL H A 27 LYS HBy 1.0 0.0 4.84 314 296 A 32 VAL H A 31 ILE HB 1.0 0.0 5.20 315 297 A 32 VAL H A 32 VAL HGx% 1.0 0.0 3.89 316 298 A 32 VAL H A 32 VAL HGy% 1.0 0.0 3.22 317 299 A 32 VAL H A 31 ILE HG2% 1.0 0.0 3.77 318 300 A 32 VAL H A 33 SER H 1.0 0.0 2.86 319 301 A 34 VAL H A 33 SER H 1.0 0.0 4.60 320 302 A 25 GLU H A 33 SER H 1.0 0.0 4.14 321 303 A 26 VAL HA A 33 SER H 1.0 0.0 5.12 322 304 A 33 SER H A 34 VAL HA 1.0 0.0 5.13 323 305 A 31 ILE HA A 33 SER H 1.0 0.0 3.77 324 306 A 33 SER H A 33 SER HBy 1.0 0.0 4.38 325 307 A 33 SER H A 33 SER HBx 1.0 0.0 4.38 326 308 A 25 GLU HGy A 33 SER H 1.0 0.0 4.86 327 309 A 31 ILE HB A 33 SER H 1.0 0.0 4.70 328 310 A 80 VAL HGy% A 33 SER H 1.0 0.0 5.71 329 311 A 33 SER H A 80 VAL HGx% 1.0 0.0 5.85 330 312 A 32 VAL HGy% A 33 SER H 1.0 0.0 3.20 331 313 A 33 SER H A 31 ILE HD1% 1.0 0.0 5.33 332 314 A 34 VAL H A 33 SER HA 1.0 0.0 2.89 333 315 A 34 VAL H A 34 VAL HB 1.0 0.0 3.72 334 316 A 34 VAL H A 34 VAL HGx% 1.0 0.0 4.02 335 317 A 80 VAL HGy% A 34 VAL H 1.0 0.0 4.81 336 318 A 34 VAL H A 31 ILE HG2% 1.0 0.0 5.19 337 319 A 34 VAL H A 35 ASP H 1.0 0.0 4.89 338 320 A 23 THR H A 35 ASP H 1.0 0.0 4.11 339 321 A 22 VAL HA A 35 ASP H 1.0 0.0 5.80 340 322 A 34 VAL HA A 35 ASP H 1.0 0.0 3.02 341 323 A 23 THR HB A 35 ASP H 1.0 0.0 4.33 342 324 A 35 ASP H A 35 ASP HBy 1.0 0.0 4.07 343 325 A 35 ASP H A 35 ASP HBx 1.0 0.0 4.07 344 326 A 34 VAL HB A 35 ASP H 1.0 0.0 4.67 345 327 A 34 VAL HGx% A 35 ASP H 1.0 0.0 3.68 346 328 A 34 VAL HGy% A 35 ASP H 1.0 0.0 3.75 347 329 A 22 VAL HGx% A 35 ASP H 1.0 0.0 4.88 348 330 A 36 TRP HE1 A 76 GLU HBx 1.0 0.0 5.17 349 331 A 18 TRP H A 16 SER H 1.0 0.0 4.06 350 332 A 38 ALA H A 47 LYS H 1.0 0.0 3.83 351 333 A 38 ALA H A 37 ASN HA 1.0 0.0 3.66 352 334 A 38 ALA H A 46 ASP HBy 1.0 0.0 4.64 353 335 A 38 ALA HB% A 38 ALA H 1.0 0.0 3.76 354 336 A 38 ALA H A 47 LYS HBy 1.0 0.0 4.49 355 337 A 38 ALA H A 47 LYS HBx 1.0 0.0 4.49 356 338 A 19 LYS H A 39 ILE H 1.0 0.0 3.84 357 339 A 21 THR H A 39 ILE H 1.0 0.0 5.49 358 340 A 18 TRP HA A 39 ILE H 1.0 0.0 4.69 359 341 A 38 ALA HA A 39 ILE H 1.0 0.0 3.17 360 342 A 20 ASP HA A 39 ILE H 1.0 0.0 4.63 361 343 A 19 LYS HA A 39 ILE H 1.0 0.0 4.82 362 344 A 18 TRP HBx A 39 ILE H 1.0 0.0 4.89 363 345 A 39 ILE HB A 39 ILE H 1.0 0.0 3.83 364 346 A 39 ILE HG1y A 39 ILE H 1.0 0.0 3.81 365 347 A 19 LYS HBy A 39 ILE H 1.0 0.0 4.54 366 348 A 39 ILE H A 39 ILE HG1x 1.0 0.0 3.91 367 349 A 38 ALA HB% A 39 ILE H 1.0 0.0 3.37 368 350 A 39 ILE H A 39 ILE HD1% 1.0 0.0 4.50 369 351 A 18 TRP HE1 A 40 ASN HD2y 1.0 0.0 5.48 370 352 A 42 ASP H A 40 ASN HD2y 1.0 0.0 5.28 371 353 A 40 ASN HD2y A 18 TRP HZ2 1.0 0.0 5.11 372 354 A 40 ASN HD2y A 40 ASN HA 1.0 0.0 4.73 373 355 A 39 ILE H A 40 ASN H 1.0 0.0 4.92 374 356 A 40 ASN H A 39 ILE HA 1.0 0.0 3.12 375 357 A 40 ASN H A 40 ASN HBy 1.0 0.0 3.51 376 358 A 40 ASN H A 40 ASN HBx 1.0 0.0 3.56 377 359 A 40 ASN H A 39 ILE HG2% 1.0 0.0 3.78 378 360 A 39 ILE HD1% A 40 ASN H 1.0 0.0 5.43 379 361 A 40 ASN HA A 40 ASN HD2x 1.0 0.0 4.73 380 362 A 19 LYS H A 41 LYS H 1.0 0.0 5.27 381 363 A 18 TRP HA A 41 LYS H 1.0 0.0 4.57 382 364 A 40 ASN HA A 41 LYS H 1.0 0.0 3.13 383 365 A 41 LYS H A 17 GLY HAy 1.0 0.0 5.26 384 366 A 41 LYS H A 17 GLY HAx 1.0 0.0 5.26 385 367 A 41 LYS H A 41 LYS HE2 1.0 0.0 6.30 386 367 A 41 LYS H A 41 LYS HE3 1.0 0.0 6.30 387 368 A 40 ASN HBy A 41 LYS H 1.0 0.0 4.70 388 369 A 40 ASN HBx A 41 LYS H 1.0 0.0 4.79 389 370 A 41 LYS H A 59 VAL HG1% 1.0 0.0 4.56 390 371 A 41 LYS HBy A 41 LYS H 1.0 0.0 3.38 391 372 A 41 LYS H A 41 LYS HBx 1.0 0.0 3.51 392 373 A 42 ASP H A 41 LYS H 1.0 0.0 3.54 393 374 A 42 ASP H A 43 GLY H 1.0 0.0 3.30 394 375 A 42 ASP H A 40 ASN HD2x 1.0 0.0 5.28 395 376 A 42 ASP H A 42 ASP HBy 1.0 0.0 3.51 396 377 A 42 ASP H A 40 ASN HBy 1.0 0.0 4.14 397 378 A 42 ASP H A 42 ASP HBx 1.0 0.0 3.51 398 379 A 42 ASP H A 41 LYS HDy 1.0 0.0 6.30 399 380 A 42 ASP H A 41 LYS HDx 1.0 0.0 6.30 400 381 A 42 ASP H A 59 VAL HG1% 1.0 0.0 4.35 401 382 A 42 ASP H A 41 LYS HBx 1.0 0.0 4.59 402 383 A 40 ASN H A 43 GLY H 1.0 0.0 5.49 403 384 A 41 LYS H A 43 GLY H 1.0 0.0 4.88 404 385 A 43 GLY H A 44 GLY H 1.0 0.0 3.72 405 386 A 43 GLY H A 41 LYS HA 1.0 0.0 4.59 406 387 A 40 ASN HBy A 43 GLY H 1.0 0.0 3.83 407 388 A 43 GLY H A 42 ASP HBx 1.0 0.0 4.83 408 389 A 40 ASN HBx A 43 GLY H 1.0 0.0 5.11 409 390 A 40 ASN HBy A 44 GLY H 1.0 0.0 5.08 410 391 A 61 TYR H A 61 TYR HD% 1.0 0.0 4.25 411 392 A 61 TYR H A 60 GLU HA 1.0 0.0 3.20 412 393 A 124 LEU HA A 125 GLU H 1.0 0.0 3.52 413 394 A 61 TYR H A 61 TYR HBx 1.0 0.0 4.13 414 395 A 45 ASP H A 45 ASP HBy 1.0 0.0 4.20 415 396 A 45 ASP H A 45 ASP HBx 1.0 0.0 3.18 416 397 A 45 ASP H A 50 LEU HDx% 1.0 0.0 4.48 417 398 A 45 ASP H A 50 LEU HDy% 1.0 0.0 4.90 418 399 A 59 VAL H A 60 GLU H 1.0 0.0 3.52 419 400 A 47 LYS H A 46 ASP HA 1.0 0.0 3.43 420 401 A 47 LYS H A 46 ASP HBy 1.0 0.0 3.63 421 402 A 38 ALA HB% A 47 LYS H 1.0 0.0 4.05 422 403 A 47 LYS H A 47 LYS HBy 1.0 0.0 3.99 423 404 A 47 LYS H A 47 LYS HBx 1.0 0.0 3.99 424 405 A 47 LYS H A 47 LYS HGy 1.0 0.0 5.33 425 406 A 47 LYS H A 48 ASP H 1.0 0.0 3.94 426 407 A 37 ASN HA A 48 ASP H 1.0 0.0 5.39 427 408 A 48 ASP H A 49 THR HB 1.0 0.0 6.13 428 409 A 48 ASP H A 51 SER HB2 1.0 0.0 6.30 429 409 A 48 ASP H A 51 SER HB3 1.0 0.0 6.30 430 410 A 46 ASP HBy A 48 ASP H 1.0 0.0 4.60 431 411 A 48 ASP H A 46 ASP HBx 1.0 0.0 4.47 432 412 A 48 ASP H A 48 ASP HBy 1.0 0.0 3.62 433 413 A 48 ASP H A 48 ASP HBx 1.0 0.0 3.62 434 414 A 38 ALA HB% A 48 ASP H 1.0 0.0 6.30 435 415 A 50 LEU HDx% A 48 ASP H 1.0 0.0 6.30 436 416 A 48 ASP H A 47 LYS HBy 1.0 0.0 4.84 437 417 A 48 ASP H A 47 LYS HBx 1.0 0.0 4.84 438 418 A 48 ASP H A 49 THR H 1.0 0.0 4.12 439 419 A 49 THR HB A 49 THR H 1.0 0.0 3.83 440 420 A 49 THR H A 48 ASP HBx 1.0 0.0 4.66 441 421 A 49 THR H A 50 LEU HG 1.0 0.0 5.51 442 422 A 49 THR H A 49 THR HG2% 1.0 0.0 4.24 443 423 A 50 LEU H A 51 SER H 1.0 0.0 4.20 444 424 A 50 LEU H A 55 GLY H 1.0 0.0 6.30 445 425 A 49 THR H A 50 LEU H 1.0 0.0 3.83 446 426 A 49 THR HB A 50 LEU H 1.0 0.0 3.84 447 427 A 50 LEU H A 47 LYS HA 1.0 0.0 4.66 448 428 A 45 ASP HBy A 50 LEU H 1.0 0.0 4.73 449 429 A 50 LEU HG A 50 LEU H 1.0 0.0 3.51 450 430 A 49 THR HG2% A 50 LEU H 1.0 0.0 4.33 451 431 A 50 LEU HDy% A 50 LEU H 1.0 0.0 4.99 452 432 A 51 SER H A 48 ASP HA 1.0 0.0 5.04 453 433 A 101 SER HA A 102 GLY H 1.0 0.0 3.27 454 434 A 51 SER H A 50 LEU HBy 1.0 0.0 4.69 455 435 A 51 SER H A 50 LEU HBx 1.0 0.0 4.69 456 436 A 102 GLY H A 103 ALA HB% 1.0 0.0 4.63 457 437 A 53 ASN HD2y A 53 ASN HB2 1.0 0.0 3.85 458 437 A 53 ASN HB3 A 53 ASN HD2y 1.0 0.0 3.85 459 438 A 49 THR HG2% A 53 ASN HD2y 1.0 0.0 3.59 460 439 A 55 GLY H A 53 ASN H 1.0 0.0 4.71 461 440 A 53 ASN H A 51 SER HA 1.0 0.0 5.40 462 441 A 53 ASN H A 50 LEU HA 1.0 0.0 4.16 463 442 A 53 ASN H A 51 SER HB2 1.0 0.0 5.81 464 442 A 51 SER HB3 A 53 ASN H 1.0 0.0 5.81 465 443 A 53 ASN H A 49 THR HA 1.0 0.0 4.91 466 444 A 53 ASN H A 53 ASN HB2 1.0 0.0 3.20 467 444 A 53 ASN HB3 A 53 ASN H 1.0 0.0 3.20 468 445 A 53 ASN H A 52 ARG HB2 1.0 0.0 3.72 469 445 A 53 ASN H A 52 ARG HB3 1.0 0.0 3.72 470 446 A 49 THR HG2% A 53 ASN H 1.0 0.0 4.37 471 447 A 53 ASN HD2x A 53 ASN HB2 1.0 0.0 3.85 472 447 A 53 ASN HB3 A 53 ASN HD2x 1.0 0.0 3.85 473 448 A 65 GLN HE2x A 65 GLN HBy 1.0 0.0 4.69 474 449 A 49 THR HG2% A 53 ASN HD2x 1.0 0.0 3.59 475 450 A 51 SER HA A 54 GLY H 1.0 0.0 5.16 476 451 A 54 GLY H A 52 ARG HA 1.0 0.0 5.26 477 452 A 54 GLY H A 53 ASN HB2 1.0 0.0 4.89 478 452 A 53 ASN HB3 A 54 GLY H 1.0 0.0 4.89 479 453 A 55 GLY H A 56 TYR H 1.0 0.0 3.85 480 454 A 55 GLY H A 54 GLY H 1.0 0.0 3.74 481 455 A 55 GLY H A 51 SER HA 1.0 0.0 5.92 482 456 A 55 GLY H A 53 ASN HB2 1.0 0.0 5.03 483 456 A 55 GLY H A 53 ASN HB3 1.0 0.0 5.03 484 457 A 50 LEU HG A 55 GLY H 1.0 0.0 5.96 485 458 A 50 LEU HDy% A 55 GLY H 1.0 0.0 4.18 486 459 A 51 SER HA A 56 TYR H 1.0 0.0 5.84 487 460 A 57 LYS H A 58 MET H 1.0 0.0 4.65 488 461 A 56 TYR H A 57 LYS H 1.0 0.0 4.95 489 462 A 56 TYR HD% A 57 LYS H 1.0 0.0 4.38 490 463 A 57 LYS H A 56 TYR HA 1.0 0.0 3.10 491 464 A 57 LYS H A 57 LYS HBy 1.0 0.0 4.16 492 465 A 57 LYS H A 57 LYS HBx 1.0 0.0 4.16 493 466 A 58 MET H A 57 LYS HA 1.0 0.0 3.33 494 467 A 58 MET H A 58 MET HBy 1.0 0.0 4.26 495 468 A 58 MET H A 58 MET HBx 1.0 0.0 3.87 496 469 A 58 MET H A 57 LYS HBy 1.0 0.0 4.92 497 470 A 99 ALA H A 99 ALA HB% 1.0 0.0 2.97 498 471 A 59 VAL H A 58 MET HA 1.0 0.0 3.00 499 472 A 59 VAL H A 58 MET HBy 1.0 0.0 3.40 500 473 A 59 VAL H A 58 MET HBx 1.0 0.0 4.30 501 474 A 59 VAL HG1% A 59 VAL H 1.0 0.0 3.35 502 475 A 59 VAL H A 59 VAL HG2% 1.0 0.0 3.62 503 476 A 60 GLU H A 58 MET H 1.0 0.0 5.46 504 477 A 60 GLU H A 60 GLU HGy 1.0 0.0 5.82 505 478 A 60 GLU H A 60 GLU HGx 1.0 0.0 5.82 506 479 A 60 GLU H A 58 MET HBy 1.0 0.0 3.80 507 480 A 60 GLU H A 58 MET HBx 1.0 0.0 3.72 508 481 A 60 GLU H A 60 GLU HBx 1.0 0.0 4.19 509 482 A 60 GLU H A 59 VAL HG2% 1.0 0.0 3.77 510 483 A 60 GLU H A 62 GLY H 1.0 0.0 5.69 511 484 A 62 GLY H A 63 GLY H 1.0 0.0 4.50 512 485 A 61 TYR HD% A 62 GLY H 1.0 0.0 5.07 513 486 A 62 GLY H A 61 TYR HA 1.0 0.0 3.36 514 487 A 60 GLU HA A 62 GLY H 1.0 0.0 4.94 515 488 A 63 GLY H A 61 TYR HA 1.0 0.0 5.22 516 489 A 60 GLU HA A 63 GLY H 1.0 0.0 6.30 517 490 A 63 GLY H A 64 ALA HA 1.0 0.0 6.30 518 491 A 64 ALA H A 65 GLN HG2 1.0 0.0 5.89 519 491 A 64 ALA H A 65 GLN HG3 1.0 0.0 5.89 520 492 A 64 ALA H A 64 ALA HB% 1.0 0.0 3.02 521 493 A 65 GLN HA A 65 GLN HE2y 1.0 0.0 6.30 522 494 A 65 GLN HE2y A 65 GLN HG2 1.0 0.0 3.77 523 494 A 65 GLN HG3 A 65 GLN HE2y 1.0 0.0 3.77 524 495 A 65 GLN H A 66 ALA H 1.0 0.0 3.85 525 496 A 64 ALA HA A 65 GLN H 1.0 0.0 3.48 526 497 A 65 GLN H A 65 GLN HG2 1.0 0.0 4.01 527 497 A 65 GLN HG3 A 65 GLN H 1.0 0.0 4.01 528 498 A 65 GLN H A 65 GLN HBy 1.0 0.0 4.17 529 499 A 65 GLN H A 65 GLN HBx 1.0 0.0 4.17 530 500 A 64 ALA HB% A 65 GLN H 1.0 0.0 3.55 531 501 A 65 GLN HE2x A 64 ALA HA 1.0 0.0 5.32 532 502 A 65 GLN HE2x A 65 GLN HA 1.0 0.0 5.58 533 503 A 65 GLN HE2x A 65 GLN HBx 1.0 0.0 4.69 534 504 A 64 ALA H A 66 ALA H 1.0 0.0 5.27 535 505 A 66 ALA H A 67 GLU HB2 1.0 0.0 5.91 536 505 A 66 ALA H A 67 GLU HB3 1.0 0.0 5.91 537 506 A 66 ALA H A 65 GLN HBx 1.0 0.0 4.81 538 507 A 66 ALA H A 67 GLU H 1.0 0.0 4.50 539 508 A 67 GLU H A 66 ALA HA 1.0 0.0 3.65 540 509 A 67 GLU H A 67 GLU HB2 1.0 0.0 3.82 541 509 A 67 GLU HB3 A 67 GLU H 1.0 0.0 3.82 542 510 A 67 GLU H A 66 ALA HB% 1.0 0.0 3.97 543 511 A 68 TRP HE1 A 20 ASP HA 1.0 0.0 4.88 544 512 A 68 TRP HE1 A 105 ILE HD1% 1.0 0.0 5.84 545 513 A 113 LEU HG A 68 TRP HE1 1.0 0.0 6.21 546 514 A 72 ALA H A 74 LYS H 1.0 0.0 5.00 547 515 A 72 ALA H A 72 ALA HB% 1.0 0.0 3.18 548 516 A 72 ALA H A 73 GLU H 1.0 0.0 3.91 549 517 A 73 GLU H A 73 GLU HBy 1.0 0.0 3.77 550 518 A 73 GLU H A 73 GLU HBx 1.0 0.0 3.77 551 519 A 72 ALA HB% A 73 GLU H 1.0 0.0 3.89 552 520 A 74 LYS H A 76 GLU H 1.0 0.0 4.68 553 521 A 74 LYS H A 75 VAL H 1.0 0.0 3.33 554 522 A 74 LYS H A 71 GLN HA 1.0 0.0 4.23 555 523 A 74 LYS H A 72 ALA HA 1.0 0.0 4.81 556 524 A 74 LYS H A 76 GLU HBy 1.0 0.0 6.28 557 525 A 74 LYS H A 74 LYS HG2 1.0 0.0 3.22 558 525 A 74 LYS H A 74 LYS HG3 1.0 0.0 3.22 559 526 A 103 ALA HB% A 74 LYS H 1.0 0.0 5.49 560 527 A 74 LYS H A 75 VAL HGy% 1.0 0.0 4.33 561 528 A 74 LYS H A 100 ILE HG2% 1.0 0.0 5.11 562 529 A 74 LYS H A 72 ALA HB% 1.0 0.0 5.04 563 530 A 75 VAL H A 75 VAL HB 1.0 0.0 3.58 564 531 A 75 VAL H A 74 LYS HBx 1.0 0.0 4.67 565 532 A 103 ALA HB% A 75 VAL H 1.0 0.0 5.04 566 533 A 75 VAL H A 75 VAL HGy% 1.0 0.0 3.51 567 534 A 75 VAL H A 100 ILE HG2% 1.0 0.0 4.99 568 535 A 75 VAL H A 75 VAL HGx% 1.0 0.0 4.55 569 536 A 76 GLU H A 75 VAL H 1.0 0.0 3.56 570 537 A 76 GLU H A 73 GLU HA 1.0 0.0 4.24 571 538 A 76 GLU H A 74 LYS HA 1.0 0.0 4.97 572 539 A 76 GLU H A 76 GLU HBy 1.0 0.0 3.73 573 540 A 76 GLU H A 75 VAL HB 1.0 0.0 3.60 574 541 A 34 VAL HGx% A 76 GLU H 1.0 0.0 4.82 575 542 A 76 GLU H A 75 VAL HGy% 1.0 0.0 4.27 576 543 A 72 ALA HB% A 76 GLU H 1.0 0.0 4.98 577 544 A 76 GLU H A 75 VAL HGx% 1.0 0.0 4.44 578 545 A 76 GLU H A 77 ALA H 1.0 0.0 3.48 579 546 A 76 GLU HBy A 77 ALA H 1.0 0.0 4.06 580 547 A 76 GLU HBx A 77 ALA H 1.0 0.0 4.48 581 548 A 77 ALA H A 77 ALA HB% 1.0 0.0 2.81 582 549 A 34 VAL HGx% A 77 ALA H 1.0 0.0 5.31 583 550 A 80 VAL HGy% A 77 ALA H 1.0 0.0 4.86 584 551 A 78 TYR H A 78 TYR HD% 1.0 0.0 4.63 585 552 A 78 TYR H A 78 TYR HBy 1.0 0.0 3.52 586 553 A 78 TYR H A 75 VAL HA 1.0 0.0 4.13 587 554 A 78 TYR H A 78 TYR HBx 1.0 0.0 3.56 588 555 A 81 GLU HGx A 78 TYR H 1.0 0.0 4.84 589 556 A 77 ALA HB% A 78 TYR H 1.0 0.0 3.59 590 557 A 75 VAL HGy% A 78 TYR H 1.0 0.0 5.65 591 558 A 80 VAL HGy% A 78 TYR H 1.0 0.0 6.00 592 559 A 100 ILE HG2% A 78 TYR H 1.0 0.0 4.44 593 560 A 81 GLU H A 79 LEU H 1.0 0.0 4.82 594 561 A 79 LEU H A 80 VAL H 1.0 0.0 3.60 595 562 A 78 TYR HD% A 79 LEU H 1.0 0.0 4.61 596 563 A 78 TYR HBy A 79 LEU H 1.0 0.0 4.03 597 564 A 75 VAL HA A 79 LEU H 1.0 0.0 5.06 598 565 A 79 LEU H A 80 VAL HA 1.0 0.0 5.82 599 566 A 78 TYR HBx A 79 LEU H 1.0 0.0 4.49 600 567 A 79 LEU H A 79 LEU HBy 1.0 0.0 3.66 601 568 A 79 LEU H A 79 LEU HBx 1.0 0.0 3.66 602 569 A 79 LEU H A 79 LEU HDy% 1.0 0.0 4.37 603 570 A 75 VAL HGx% A 79 LEU H 1.0 0.0 5.25 604 571 A 80 VAL H A 79 LEU HBy 1.0 0.0 4.43 605 572 A 80 VAL H A 80 VAL HB 1.0 0.0 3.45 606 573 A 80 VAL H A 79 LEU HBx 1.0 0.0 4.43 607 574 A 80 VAL HGy% A 80 VAL H 1.0 0.0 3.18 608 575 A 24 ILE H A 23 THR H 1.0 0.0 4.87 609 576 A 81 GLU H A 82 LYS H 1.0 0.0 3.36 610 577 A 23 THR H A 37 ASN H 1.0 0.0 4.68 611 578 A 81 GLU H A 80 VAL H 1.0 0.0 3.32 612 579 A 23 THR H A 36 TRP HA 1.0 0.0 3.86 613 580 A 81 GLU H A 82 LYS HBx 1.0 0.0 4.98 614 581 A 23 THR H A 24 ILE HG1y 1.0 0.0 5.81 615 582 A 81 GLU H A 77 ALA HB% 1.0 0.0 6.30 616 583 A 117 ALA HB% A 23 THR H 1.0 0.0 6.30 617 584 A 82 LYS H A 83 GLN H 1.0 0.0 3.46 618 585 A 80 VAL H A 82 LYS H 1.0 0.0 5.02 619 586 A 82 LYS H A 79 LEU HA 1.0 0.0 4.12 620 587 A 82 LYS H A 83 GLN HA 1.0 0.0 5.11 621 588 A 82 LYS H A 81 GLU HGy 1.0 0.0 4.48 622 589 A 81 GLU HGx A 82 LYS H 1.0 0.0 3.38 623 590 A 82 LYS H A 82 LYS HBx 1.0 0.0 3.63 624 591 A 82 LYS H A 82 LYS HG2 1.0 0.0 4.67 625 591 A 82 LYS H A 82 LYS HG3 1.0 0.0 4.67 626 592 A 31 ILE H A 83 GLN HE2y 1.0 0.0 4.56 627 593 A 83 GLN HA A 83 GLN HE2y 1.0 0.0 5.11 628 594 A 80 VAL HA A 83 GLN HE2y 1.0 0.0 4.07 629 595 A 83 GLN HBx A 83 GLN HE2y 1.0 0.0 4.36 630 596 A 31 ILE HB A 83 GLN HE2y 1.0 0.0 4.17 631 597 A 83 GLN HE2y A 79 LEU HDx% 1.0 0.0 4.60 632 598 A 31 ILE HG2% A 83 GLN HE2y 1.0 0.0 4.86 633 599 A 83 GLN H A 83 GLN HE2y 1.0 0.0 4.15 634 600 A 83 GLN H A 79 LEU HA 1.0 0.0 4.42 635 601 A 80 VAL HA A 83 GLN H 1.0 0.0 4.69 636 602 A 83 GLN H A 83 GLN HGy 1.0 0.0 5.06 637 603 A 83 GLN H A 83 GLN HGx 1.0 0.0 4.53 638 604 A 83 GLN H A 81 GLU HB2 1.0 0.0 5.86 639 604 A 81 GLU HB3 A 83 GLN H 1.0 0.0 5.86 640 605 A 81 GLU HGx A 83 GLN H 1.0 0.0 6.30 641 606 A 83 GLN H A 82 LYS HBy 1.0 0.0 5.02 642 607 A 82 LYS HBx A 83 GLN H 1.0 0.0 4.34 643 608 A 83 GLN H A 79 LEU HDx% 1.0 0.0 5.31 644 609 A 79 LEU HDy% A 83 GLN H 1.0 0.0 4.03 645 610 A 31 ILE HD1% A 83 GLN H 1.0 0.0 4.67 646 611 A 83 GLN HE2x A 80 VAL HA 1.0 0.0 4.49 647 612 A 83 GLN HE2x A 83 GLN HBx 1.0 0.0 4.85 648 613 A 83 GLN HE2x A 83 GLN HGx 1.0 0.0 4.29 649 614 A 83 GLN HE2x A 31 ILE HB 1.0 0.0 3.86 650 615 A 83 GLN H A 84 ASP H 1.0 0.0 3.70 651 616 A 82 LYS H A 84 ASP H 1.0 0.0 4.95 652 617 A 79 LEU HA A 84 ASP H 1.0 0.0 4.62 653 618 A 84 ASP H A 85 PRO HDy 1.0 0.0 4.84 654 619 A 84 ASP H A 82 LYS HA 1.0 0.0 4.73 655 620 A 84 ASP H A 87 ASP HBy 1.0 0.0 5.09 656 621 A 84 ASP H A 84 ASP HBy 1.0 0.0 4.13 657 622 A 84 ASP H A 84 ASP HBx 1.0 0.0 4.13 658 623 A 84 ASP H A 83 GLN HBy 1.0 0.0 4.43 659 624 A 83 GLN HBx A 84 ASP H 1.0 0.0 4.92 660 625 A 83 GLN HGx A 84 ASP H 1.0 0.0 5.12 661 626 A 82 LYS HBx A 84 ASP H 1.0 0.0 3.83 662 627 A 79 LEU HDy% A 84 ASP H 1.0 0.0 3.40 663 628 A 31 ILE HD1% A 84 ASP H 1.0 0.0 4.54 664 629 A 84 ASP HA A 86 THR H 1.0 0.0 4.74 665 630 A 85 PRO HDy A 86 THR H 1.0 0.0 4.45 666 631 A 86 THR H A 85 PRO HDx 1.0 0.0 4.92 667 632 A 86 THR H A 115 GLN HGx 1.0 0.0 5.91 668 633 A 86 THR H A 86 THR HG2% 1.0 0.0 3.55 669 634 A 79 LEU HDy% A 86 THR H 1.0 0.0 5.17 670 635 A 86 THR H A 87 ASP H 1.0 0.0 3.12 671 636 A 87 ASP H A 111 PHE HE% 1.0 0.0 5.17 672 637 A 84 ASP HA A 87 ASP H 1.0 0.0 5.18 673 638 A 87 ASP HBy A 87 ASP H 1.0 0.0 3.37 674 639 A 87 ASP H A 87 ASP HBx 1.0 0.0 3.38 675 640 A 82 LYS HBy A 87 ASP H 1.0 0.0 5.55 676 641 A 86 THR HG2% A 87 ASP H 1.0 0.0 4.29 677 642 A 79 LEU HDy% A 87 ASP H 1.0 0.0 5.33 678 643 A 87 ASP H A 88 ILE HG2% 1.0 0.0 4.63 679 644 A 88 ILE H A 89 LYS H 1.0 0.0 4.70 680 645 A 88 ILE H A 87 ASP HA 1.0 0.0 2.84 681 646 A 88 ILE H A 89 LYS HA 1.0 0.0 5.11 682 647 A 87 ASP HBy A 88 ILE H 1.0 0.0 4.82 683 648 A 87 ASP HBx A 88 ILE H 1.0 0.0 5.02 684 649 A 88 ILE H A 88 ILE HB 1.0 0.0 3.94 685 650 A 88 ILE H A 88 ILE HD1% 1.0 0.0 4.66 686 651 A 88 ILE HG2% A 88 ILE H 1.0 0.0 3.15 687 652 A 89 LYS H A 90 TYR H 1.0 0.0 5.21 688 653 A 89 LYS H A 88 ILE HA 1.0 0.0 3.04 689 654 A 89 LYS H A 97 THR HB 1.0 0.0 5.26 690 655 A 89 LYS H A 89 LYS HBy 1.0 0.0 3.74 691 656 A 89 LYS H A 89 LYS HBx 1.0 0.0 3.74 692 657 A 89 LYS H A 88 ILE HB 1.0 0.0 4.47 693 658 A 89 LYS H A 88 ILE HD1% 1.0 0.0 3.30 694 659 A 89 LYS H A 88 ILE HG1y 1.0 0.0 4.39 695 660 A 88 ILE HG2% A 89 LYS H 1.0 0.0 4.34 696 661 A 89 LYS H A 88 ILE HG1x 1.0 0.0 4.39 697 662 A 99 ALA H A 98 ASP H 1.0 0.0 3.31 698 663 A 89 LYS HA A 90 TYR H 1.0 0.0 3.11 699 664 A 90 TYR H A 90 TYR HBy 1.0 0.0 4.35 700 665 A 90 TYR H A 90 TYR HBx 1.0 0.0 4.18 701 666 A 90 TYR H A 89 LYS HBy 1.0 0.0 4.71 702 667 A 90 TYR H A 89 LYS HBx 1.0 0.0 4.71 703 668 A 90 TYR HD% A 91 LYS H 1.0 0.0 4.65 704 669 A 91 LYS H A 90 TYR HA 1.0 0.0 3.54 705 670 A 97 THR HB A 91 LYS H 1.0 0.0 5.04 706 671 A 90 TYR HBy A 91 LYS H 1.0 0.0 4.23 707 672 A 90 TYR HBx A 91 LYS H 1.0 0.0 4.53 708 673 A 91 LYS H A 91 LYS HDy 1.0 0.0 4.25 709 674 A 91 LYS H A 91 LYS HG2 1.0 0.0 3.66 710 674 A 91 LYS H A 91 LYS HG3 1.0 0.0 3.66 711 675 A 91 LYS H A 92 ASP H 1.0 0.0 3.87 712 676 A 90 TYR HBy A 92 ASP H 1.0 0.0 4.09 713 677 A 90 TYR HBx A 92 ASP H 1.0 0.0 4.90 714 678 A 92 ASP H A 91 LYS HBy 1.0 0.0 4.86 715 679 A 92 ASP H A 91 LYS HBx 1.0 0.0 4.86 716 680 A 94 ASP H A 95 GLY H 1.0 0.0 3.56 717 681 A 90 TYR HBy A 95 GLY H 1.0 0.0 5.11 718 682 A 95 GLY H A 94 ASP HBy 1.0 0.0 4.77 719 683 A 95 GLY H A 94 ASP HBx 1.0 0.0 4.40 720 684 A 95 GLY H A 108 LYS HG2 1.0 0.0 5.88 721 684 A 95 GLY H A 108 LYS HG3 1.0 0.0 5.88 722 685 A 96 HIS H A 97 THR H 1.0 0.0 4.67 723 686 A 91 LYS H A 96 HIS H 1.0 0.0 4.16 724 687 A 94 ASP H A 96 HIS H 1.0 0.0 4.61 725 688 A 95 GLY H A 96 HIS H 1.0 0.0 3.29 726 689 A 90 TYR HD% A 96 HIS H 1.0 0.0 4.87 727 690 A 96 HIS H A 106 LYS HA 1.0 0.0 5.50 728 691 A 96 HIS H A 96 HIS HBy 1.0 0.0 3.94 729 692 A 96 HIS H A 96 HIS HBx 1.0 0.0 3.54 730 693 A 94 ASP HBy A 96 HIS H 1.0 0.0 5.69 731 694 A 94 ASP HBx A 96 HIS H 1.0 0.0 5.26 732 695 A 96 HIS H A 97 THR HG2% 1.0 0.0 5.64 733 696 A 98 ASP H A 97 THR H 1.0 0.0 4.82 734 697 A 97 THR H A 96 HIS HD2 1.0 0.0 5.08 735 698 A 97 THR H A 96 HIS HA 1.0 0.0 3.37 736 699 A 97 THR H A 96 HIS HBy 1.0 0.0 4.00 737 700 A 97 THR H A 96 HIS HBx 1.0 0.0 4.78 738 701 A 91 LYS HDy A 97 THR H 1.0 0.0 5.97 739 702 A 97 THR H A 100 ILE HB 1.0 0.0 6.30 740 703 A 99 ALA HB% A 97 THR H 1.0 0.0 6.21 741 704 A 97 THR H A 97 THR HG2% 1.0 0.0 3.26 742 705 A 98 ASP H A 97 THR HA 1.0 0.0 3.22 743 706 A 98 ASP H A 99 ALA HA 1.0 0.0 5.47 744 707 A 97 THR HB A 98 ASP H 1.0 0.0 4.67 745 708 A 98 ASP H A 98 ASP HBy 1.0 0.0 4.16 746 709 A 98 ASP H A 98 ASP HBx 1.0 0.0 4.16 747 710 A 98 ASP H A 91 LYS HDy 1.0 0.0 4.51 748 711 A 98 ASP H A 91 LYS HDx 1.0 0.0 5.19 749 712 A 99 ALA HB% A 98 ASP H 1.0 0.0 4.44 750 713 A 98 ASP H A 91 LYS HG2 1.0 0.0 4.49 751 713 A 98 ASP H A 91 LYS HG3 1.0 0.0 4.49 752 714 A 99 ALA H A 100 ILE H 1.0 0.0 3.56 753 715 A 99 ALA H A 97 THR HA 1.0 0.0 3.95 754 716 A 99 ALA H A 97 THR HB 1.0 0.0 4.71 755 717 A 99 ALA H A 98 ASP HBx 1.0 0.0 5.11 756 718 A 99 ALA H A 97 THR HG2% 1.0 0.0 3.75 757 719 A 100 ILE H A 98 ASP HA 1.0 0.0 4.73 758 720 A 97 THR HA A 100 ILE H 1.0 0.0 5.73 759 721 A 100 ILE HB A 100 ILE H 1.0 0.0 3.76 760 722 A 99 ALA HB% A 100 ILE H 1.0 0.0 3.92 761 723 A 97 THR HG2% A 100 ILE H 1.0 0.0 3.62 762 724 A 100 ILE H A 100 ILE HG1y 1.0 0.0 4.53 763 725 A 100 ILE H A 100 ILE HG1x 1.0 0.0 4.53 764 726 A 100 ILE H A 101 SER H 1.0 0.0 5.23 765 727 A 101 SER H A 100 ILE HA 1.0 0.0 3.61 766 728 A 100 ILE HG2% A 101 SER H 1.0 0.0 4.20 767 729 A 102 GLY H A 104 THR H 1.0 0.0 6.30 768 730 A 104 THR H A 103 ALA H 1.0 0.0 4.95 769 731 A 102 GLY H A 103 ALA H 1.0 0.0 3.61 770 732 A 100 ILE HB A 103 ALA H 1.0 0.0 4.53 771 733 A 97 THR HG2% A 103 ALA H 1.0 0.0 6.06 772 734 A 103 ALA H A 107 VAL HGy% 1.0 0.0 6.30 773 735 A 103 ALA HB% A 103 ALA H 1.0 0.0 3.08 774 736 A 100 ILE HG2% A 103 ALA H 1.0 0.0 3.99 775 737 A 105 ILE HA A 106 LYS H 1.0 0.0 3.30 776 738 A 106 LYS H A 106 LYS HG2 1.0 0.0 3.76 777 738 A 106 LYS H A 106 LYS HG3 1.0 0.0 3.76 778 739 A 117 ALA HB% A 117 ALA H 1.0 0.0 2.95 779 740 A 106 LYS H A 105 ILE HG2% 1.0 0.0 4.05 780 741 A 105 ILE HD1% A 106 LYS H 1.0 0.0 4.00 781 742 A 96 HIS HA A 107 VAL H 1.0 0.0 4.66 782 743 A 107 VAL H A 95 GLY HAy 1.0 0.0 4.91 783 744 A 106 LYS HA A 107 VAL H 1.0 0.0 3.19 784 745 A 107 VAL H A 106 LYS HG2 1.0 0.0 5.19 785 745 A 106 LYS HG3 A 107 VAL H 1.0 0.0 5.19 786 746 A 107 VAL HGy% A 107 VAL H 1.0 0.0 3.36 787 747 A 107 VAL H A 107 VAL HGx% 1.0 0.0 4.17 788 748 A 105 ILE HD1% A 107 VAL H 1.0 0.0 4.96 789 749 A 107 VAL H A 108 LYS H 1.0 0.0 3.37 790 750 A 95 GLY HAy A 108 LYS H 1.0 0.0 4.03 791 751 A 106 LYS HA A 108 LYS H 1.0 0.0 4.35 792 752 A 108 LYS H A 95 GLY HAx 1.0 0.0 4.48 793 753 A 108 LYS H A 108 LYS HBy 1.0 0.0 3.68 794 754 A 108 LYS H A 108 LYS HBx 1.0 0.0 3.68 795 755 A 107 VAL HGx% A 108 LYS H 1.0 0.0 4.62 796 756 A 108 LYS H A 109 LYS H 1.0 0.0 3.75 797 757 A 109 LYS H A 111 PHE H 1.0 0.0 4.95 798 758 A 109 LYS H A 107 VAL HA 1.0 0.0 4.92 799 759 A 109 LYS H A 109 LYS HBy 1.0 0.0 3.21 800 760 A 109 LYS H A 109 LYS HBx 1.0 0.0 3.50 801 761 A 109 LYS H A 108 LYS HBy 1.0 0.0 4.19 802 762 A 109 LYS H A 108 LYS HBx 1.0 0.0 4.19 803 763 A 110 PHE H A 112 ASP H 1.0 0.0 4.40 804 764 A 109 LYS H A 110 PHE H 1.0 0.0 3.38 805 765 A 110 PHE H A 113 LEU H 1.0 0.0 5.28 806 766 A 110 PHE H A 68 TRP HZ2 1.0 0.0 4.46 807 767 A 110 PHE H A 68 TRP HH2 1.0 0.0 4.30 808 768 A 111 PHE H A 110 PHE H 1.0 0.0 3.20 809 769 A 110 PHE H A 68 TRP HZ3 1.0 0.0 5.72 810 770 A 110 PHE H A 110 PHE HD% 1.0 0.0 4.48 811 771 A 107 VAL HA A 110 PHE H 1.0 0.0 4.11 812 772 A 110 PHE H A 108 LYS HA 1.0 0.0 4.95 813 773 A 110 PHE H A 112 ASP HBy 1.0 0.0 4.95 814 774 A 110 PHE H A 110 PHE HBy 1.0 0.0 3.21 815 775 A 109 LYS HBy A 110 PHE H 1.0 0.0 4.30 816 776 A 109 LYS HBx A 110 PHE H 1.0 0.0 3.76 817 777 A 110 PHE H A 109 LYS HGy 1.0 0.0 5.21 818 778 A 110 PHE H A 109 LYS HGx 1.0 0.0 5.45 819 779 A 107 VAL HGy% A 110 PHE H 1.0 0.0 5.25 820 780 A 22 VAL HGy% A 110 PHE H 1.0 0.0 5.07 821 781 A 110 PHE H A 110 PHE HBx 1.0 0.0 3.36 822 782 A 75 VAL HGx% A 110 PHE H 1.0 0.0 5.86 823 783 A 111 PHE H A 112 ASP H 1.0 0.0 3.37 824 784 A 111 PHE H A 113 LEU H 1.0 0.0 5.01 825 785 A 111 PHE H A 111 PHE HD% 1.0 0.0 3.33 826 786 A 111 PHE H A 110 PHE HD% 1.0 0.0 3.78 827 787 A 111 PHE H A 108 LYS HA 1.0 0.0 4.15 828 788 A 111 PHE H A 112 ASP HA 1.0 0.0 5.71 829 789 A 111 PHE H A 109 LYS HA 1.0 0.0 5.32 830 790 A 111 PHE H A 111 PHE HBy 1.0 0.0 3.76 831 791 A 111 PHE H A 111 PHE HBx 1.0 0.0 3.50 832 792 A 111 PHE H A 112 ASP HBy 1.0 0.0 4.95 833 793 A 111 PHE H A 110 PHE HBy 1.0 0.0 3.58 834 794 A 111 PHE H A 113 LEU HBy 1.0 0.0 5.90 835 795 A 111 PHE H A 114 ALA HB% 1.0 0.0 4.74 836 796 A 111 PHE H A 110 PHE HBx 1.0 0.0 4.07 837 797 A 75 VAL HGx% A 111 PHE H 1.0 0.0 5.27 838 798 A 112 ASP H A 113 LEU H 1.0 0.0 3.59 839 799 A 112 ASP H A 111 PHE HD% 1.0 0.0 4.83 840 800 A 112 ASP H A 109 LYS HA 1.0 0.0 4.14 841 801 A 112 ASP H A 111 PHE HBy 1.0 0.0 4.57 842 802 A 112 ASP H A 111 PHE HBx 1.0 0.0 4.18 843 803 A 112 ASP H A 112 ASP HBy 1.0 0.0 3.50 844 804 A 112 ASP H A 112 ASP HBx 1.0 0.0 3.75 845 805 A 112 ASP H A 113 LEU HBy 1.0 0.0 5.15 846 806 A 113 LEU H A 114 ALA H 1.0 0.0 3.36 847 807 A 113 LEU H A 115 GLN H 1.0 0.0 4.78 848 808 A 113 LEU H A 109 LYS HA 1.0 0.0 4.55 849 809 A 113 LEU H A 111 PHE HA 1.0 0.0 5.05 850 810 A 113 LEU H A 110 PHE HA 1.0 0.0 4.51 851 811 A 113 LEU H A 112 ASP HBy 1.0 0.0 3.76 852 812 A 113 LEU H A 112 ASP HBx 1.0 0.0 3.98 853 813 A 113 LEU H A 113 LEU HBy 1.0 0.0 3.09 854 814 A 8 ALA HB% A 113 LEU H 1.0 0.0 5.52 855 815 A 113 LEU H A 113 LEU HBx 1.0 0.0 3.79 856 816 A 22 VAL HGy% A 113 LEU H 1.0 0.0 4.21 857 817 A 113 LEU H A 113 LEU HD1% 1.0 0.0 4.03 858 817 A 113 LEU HD2% A 113 LEU H 1.0 0.0 4.03 859 818 A 114 ALA H A 115 GLN H 1.0 0.0 3.39 860 819 A 114 ALA H A 116 LYS H 1.0 0.0 4.84 861 820 A 114 ALA H A 110 PHE HA 1.0 0.0 4.95 862 821 A 114 ALA H A 115 GLN HGy 1.0 0.0 5.03 863 822 A 114 ALA H A 115 GLN HBx 1.0 0.0 5.30 864 823 A 113 LEU HBy A 114 ALA H 1.0 0.0 3.77 865 824 A 8 ALA HB% A 114 ALA H 1.0 0.0 5.40 866 825 A 117 ALA HB% A 114 ALA H 1.0 0.0 5.93 867 826 A 114 ALA H A 113 LEU HBx 1.0 0.0 4.02 868 827 A 114 ALA HB% A 114 ALA H 1.0 0.0 2.96 869 828 A 22 VAL HGx% A 114 ALA H 1.0 0.0 4.23 870 829 A 86 THR HA A 115 GLN HE2y 1.0 0.0 3.80 871 830 A 112 ASP HA A 115 GLN HE2y 1.0 0.0 4.77 872 831 A 111 PHE HBy A 115 GLN HE2y 1.0 0.0 4.28 873 832 A 111 PHE HBx A 115 GLN HE2y 1.0 0.0 5.00 874 833 A 115 GLN HGy A 115 GLN HE2y 1.0 0.0 3.35 875 834 A 115 GLN HE2y A 85 PRO HBy 1.0 0.0 5.35 876 835 A 115 GLN HBx A 115 GLN HE2y 1.0 0.0 4.75 877 836 A 88 ILE HG2% A 115 GLN HE2y 1.0 0.0 4.78 878 837 A 112 ASP HA A 115 GLN H 1.0 0.0 4.47 879 838 A 115 GLN H A 113 LEU HA 1.0 0.0 4.80 880 839 A 115 GLN H A 115 GLN HGy 1.0 0.0 3.53 881 840 A 115 GLN H A 85 PRO HBy 1.0 0.0 4.55 882 841 A 115 GLN HGx A 115 GLN H 1.0 0.0 4.05 883 842 A 115 GLN H A 115 GLN HBx 1.0 0.0 3.24 884 843 A 115 GLN H A 85 PRO HBx 1.0 0.0 5.44 885 844 A 115 GLN H A 116 LYS HB2 1.0 0.0 5.83 886 844 A 116 LYS HB3 A 115 GLN H 1.0 0.0 5.83 887 845 A 115 GLN H A 113 LEU HBx 1.0 0.0 6.07 888 846 A 114 ALA HB% A 115 GLN H 1.0 0.0 3.41 889 847 A 86 THR HA A 115 GLN HE2x 1.0 0.0 3.98 890 848 A 112 ASP HA A 115 GLN HE2x 1.0 0.0 4.90 891 849 A 111 PHE HBy A 115 GLN HE2x 1.0 0.0 4.86 892 850 A 111 PHE HBx A 115 GLN HE2x 1.0 0.0 6.30 893 851 A 115 GLN HGy A 115 GLN HE2x 1.0 0.0 3.70 894 852 A 115 GLN HE2x A 115 GLN HBy 1.0 0.0 5.61 895 853 A 88 ILE HG2% A 115 GLN HE2x 1.0 0.0 4.94 896 854 A 117 ALA H A 116 LYS H 1.0 0.0 3.36 897 855 A 115 GLN H A 116 LYS H 1.0 0.0 3.39 898 856 A 112 ASP HA A 116 LYS H 1.0 0.0 5.25 899 857 A 116 LYS H A 114 ALA HA 1.0 0.0 4.90 900 858 A 116 LYS H A 115 GLN HGy 1.0 0.0 4.95 901 859 A 116 LYS H A 115 GLN HBx 1.0 0.0 3.51 902 860 A 116 LYS H A 116 LYS HB2 1.0 0.0 2.92 903 860 A 116 LYS HB3 A 116 LYS H 1.0 0.0 2.92 904 861 A 116 LYS H A 116 LYS HG2 1.0 0.0 4.35 905 861 A 116 LYS H A 116 LYS HG3 1.0 0.0 4.35 906 862 A 8 ALA HB% A 116 LYS H 1.0 0.0 4.25 907 863 A 114 ALA HB% A 116 LYS H 1.0 0.0 4.98 908 864 A 116 LYS H A 113 LEU HD1% 1.0 0.0 4.75 909 864 A 113 LEU HD2% A 116 LYS H 1.0 0.0 4.75 910 865 A 117 ALA H A 114 ALA HA 1.0 0.0 4.11 911 866 A 117 ALA H A 118 LEU HG 1.0 0.0 6.26 912 867 A 117 ALA H A 119 LYS HG2 1.0 0.0 6.24 913 867 A 117 ALA H A 119 LYS HG3 1.0 0.0 6.24 914 868 A 117 ALA H A 113 LEU HD1% 1.0 0.0 5.33 915 868 A 113 LEU HD2% A 117 ALA H 1.0 0.0 5.33 916 869 A 117 ALA H A 118 LEU H 1.0 0.0 3.43 917 870 A 114 ALA HA A 118 LEU H 1.0 0.0 5.52 918 871 A 118 LEU H A 119 LYS HBy 1.0 0.0 6.22 919 872 A 118 LEU H A 116 LYS HB2 1.0 0.0 5.16 920 872 A 116 LYS HB3 A 118 LEU H 1.0 0.0 5.16 921 873 A 118 LEU HG A 118 LEU H 1.0 0.0 3.31 922 874 A 117 ALA HB% A 118 LEU H 1.0 0.0 3.28 923 875 A 118 LEU H A 118 LEU HDx% 1.0 0.0 3.69 924 876 A 118 LEU H A 118 LEU HDy% 1.0 0.0 4.51 925 877 A 117 ALA H A 119 LYS H 1.0 0.0 4.50 926 878 A 119 LYS H A 120 ASP H 1.0 0.0 3.44 927 879 A 118 LEU H A 119 LYS H 1.0 0.0 3.16 928 880 A 119 LYS H A 120 ASP HA 1.0 0.0 5.84 929 881 A 119 LYS H A 116 LYS HA 1.0 0.0 4.20 930 882 A 119 LYS H A 115 GLN HA 1.0 0.0 5.46 931 883 A 119 LYS H A 119 LYS HBx 1.0 0.0 3.19 932 884 A 119 LYS H A 123 LYS HD2 1.0 0.0 4.21 933 884 A 119 LYS H A 123 LYS HD3 1.0 0.0 4.21 934 885 A 119 LYS H A 119 LYS HG2 1.0 0.0 3.44 935 885 A 119 LYS HG3 A 119 LYS H 1.0 0.0 3.44 936 886 A 117 ALA HB% A 119 LYS H 1.0 0.0 4.76 937 887 A 119 LYS H A 119 LYS HD2 1.0 0.0 5.05 938 887 A 119 LYS H A 119 LYS HD3 1.0 0.0 5.05 939 888 A 118 LEU HDx% A 119 LYS H 1.0 0.0 4.84 940 889 A 120 ASP H A 122 GLU H 1.0 0.0 5.16 941 890 A 117 ALA HA A 120 ASP H 1.0 0.0 6.25 942 891 A 120 ASP H A 118 LEU HA 1.0 0.0 4.73 943 892 A 120 ASP H A 120 ASP HBy 1.0 0.0 3.85 944 893 A 119 LYS HBy A 120 ASP H 1.0 0.0 4.14 945 894 A 120 ASP H A 119 LYS HBx 1.0 0.0 4.19 946 895 A 120 ASP H A 123 LYS HD2 1.0 0.0 4.70 947 895 A 120 ASP H A 123 LYS HD3 1.0 0.0 4.70 948 896 A 120 ASP H A 119 LYS HG2 1.0 0.0 4.14 949 896 A 119 LYS HG3 A 120 ASP H 1.0 0.0 4.14 950 897 A 120 ASP H A 119 LYS HD2 1.0 0.0 5.03 951 897 A 120 ASP H A 119 LYS HD3 1.0 0.0 5.03 952 898 A 120 ASP H A 121 ALA H 1.0 0.0 3.26 953 899 A 122 GLU H A 121 ALA H 1.0 0.0 3.23 954 900 A 118 LEU H A 121 ALA H 1.0 0.0 5.52 955 901 A 121 ALA H A 6 TYR HE% 1.0 0.0 5.21 956 902 A 120 ASP HA A 121 ALA H 1.0 0.0 3.64 957 903 A 121 ALA H A 119 LYS HA 1.0 0.0 4.99 958 904 A 118 LEU HA A 121 ALA H 1.0 0.0 4.00 959 905 A 121 ALA H A 120 ASP HBy 1.0 0.0 4.41 960 906 A 121 ALA H A 120 ASP HBx 1.0 0.0 4.41 961 907 A 121 ALA H A 119 LYS HG2 1.0 0.0 4.74 962 907 A 119 LYS HG3 A 121 ALA H 1.0 0.0 4.74 963 908 A 121 ALA HB% A 121 ALA H 1.0 0.0 3.09 964 909 A 120 ASP HA A 122 GLU H 1.0 0.0 4.76 965 910 A 122 GLU H A 122 GLU HGy 1.0 0.0 4.53 966 911 A 122 GLU H A 122 GLU HBy 1.0 0.0 4.04 967 912 A 122 GLU H A 122 GLU HBx 1.0 0.0 4.04 968 913 A 122 GLU H A 123 LYS HBy 1.0 0.0 5.79 969 914 A 121 ALA HB% A 122 GLU H 1.0 0.0 4.02 970 915 A 123 LYS H A 122 GLU HGy 1.0 0.0 5.52 971 916 A 123 LYS H A 122 GLU HGx 1.0 0.0 5.52 972 917 A 123 LYS H A 123 LYS HBx 1.0 0.0 3.29 973 918 A 121 ALA HB% A 123 LYS H 1.0 0.0 5.51 974 919 A 123 LYS H A 124 LEU H 1.0 0.0 4.70 975 920 A 124 LEU H A 123 LYS HA 1.0 0.0 2.95 976 921 A 123 LYS HBy A 124 LEU H 1.0 0.0 4.32 977 922 A 124 LEU H A 124 LEU HBy 1.0 0.0 3.80 978 923 A 124 LEU H A 124 LEU HBx 1.0 0.0 3.80 979 924 A 18 TRP H A 15 GLU HA 1.0 0.0 6.30 980 925 A 18 TRP H A 16 SER HBx 1.0 0.0 6.30 981 926 A 45 ASP HA A 46 ASP H 1.0 0.0 2.95 982 927 A 49 THR HB A 46 ASP H 1.0 0.0 4.02 983 928 A 46 ASP HBy A 46 ASP H 1.0 0.0 3.94 984 929 A 46 ASP HBx A 46 ASP H 1.0 0.0 3.60 985 930 A 45 ASP HBy A 46 ASP H 1.0 0.0 3.53 986 931 A 45 ASP HBx A 46 ASP H 1.0 0.0 4.02 987 932 A 2 LYS H A 1 MET HB2 1.0 0.0 3.87 988 932 A 2 LYS H A 1 MET HB3 1.0 0.0 3.87 989 933 A 3 ASP H A 29 GLY H 1.0 0.0 5.30 990 934 A 3 ASP H A 28 ASN H 1.0 0.0 6.00 991 935 A 3 ASP H A 28 ASN HA 1.0 0.0 5.99 992 936 A 3 ASP H A 29 GLY HAy 1.0 0.0 5.34 993 937 A 3 ASP H A 29 GLY HAx 1.0 0.0 5.96 994 938 A 3 ASP H A 1 MET HB2 1.0 0.0 6.25 995 938 A 3 ASP H A 1 MET HB3 1.0 0.0 6.25 996 939 A 3 ASP H A 2 LYS HBx 1.0 0.0 4.89 997 940 A 26 VAL H A 5 THR H 1.0 0.0 5.37 998 941 A 5 THR H A 6 TYR HD% 1.0 0.0 5.51 999 942 A 5 THR H A 6 TYR HE% 1.0 0.0 5.20 1000 943 A 26 VAL H A 6 TYR H 1.0 0.0 5.00 1001 944 A 6 TYR H A 7 TYR HA 1.0 0.0 6.07 1002 945 A 6 TYR H A 7 TYR HBx 1.0 0.0 6.25 1003 946 A 6 TYR H A 24 ILE HG1y 1.0 0.0 5.92 1004 947 A 6 TYR H A 118 LEU HG 1.0 0.0 6.30 1005 948 A 6 TYR H A 24 ILE HD1% 1.0 0.0 6.22 1006 949 A 6 TYR H A 118 LEU HDx% 1.0 0.0 6.30 1007 950 A 7 TYR H A 24 ILE H 1.0 0.0 5.18 1008 951 A 7 TYR H A 7 TYR HD% 1.0 0.0 4.43 1009 952 A 7 TYR H A 6 TYR HBy 1.0 0.0 3.87 1010 953 A 8 ALA H A 117 ALA HA 1.0 0.0 5.92 1011 954 A 8 ALA H A 113 LEU HBy 1.0 0.0 6.30 1012 955 A 8 ALA H A 24 ILE HG1y 1.0 0.0 6.07 1013 956 A 9 GLU H A 113 LEU HBx 1.0 0.0 5.86 1014 957 A 9 GLU H A 21 THR HB 1.0 0.0 5.22 1015 958 A 10 ALA H A 21 THR H 1.0 0.0 5.46 1016 959 A 10 ALA H A 12 ASP H 1.0 0.0 6.12 1017 960 A 12 ASP H A 10 ALA HA 1.0 0.0 4.68 1018 961 A 14 ASP H A 13 PHE HBy 1.0 0.0 4.27 1019 962 A 14 ASP H A 15 GLU H 1.0 0.0 5.05 1020 963 A 14 ASP H A 16 SER H 1.0 0.0 5.40 1021 964 A 20 ASP H A 14 ASP H 1.0 0.0 5.92 1022 965 A 15 GLU H A 14 ASP HA 1.0 0.0 3.50 1023 966 A 16 SER H A 17 GLY HAy 1.0 0.0 6.03 1024 967 A 13 PHE HBy A 17 GLY H 1.0 0.0 5.22 1025 968 A 18 TRP H A 59 VAL HG2% 1.0 0.0 6.20 1026 969 A 18 TRP H A 15 GLU H 1.0 0.0 5.65 1027 970 A 18 TRP H A 18 TRP HE1 1.0 0.0 6.30 1028 971 A 18 TRP HE1 A 60 GLU H 1.0 0.0 6.30 1029 972 A 18 TRP HE1 A 40 ASN HD2x 1.0 0.0 5.48 1030 973 A 18 TRP HE1 A 38 ALA HB% 1.0 0.0 6.30 1031 974 A 18 TRP HE1 A 50 LEU HDx% 1.0 0.0 6.30 1032 975 A 19 LYS H A 19 LYS HG2 1.0 0.0 4.97 1033 975 A 19 LYS HG3 A 19 LYS H 1.0 0.0 4.97 1034 976 A 20 ASP H A 21 THR H 1.0 0.0 5.32 1035 977 A 20 ASP H A 39 ILE H 1.0 0.0 5.26 1036 978 A 21 THR H A 38 ALA H 1.0 0.0 5.55 1037 979 A 22 VAL H A 7 TYR HD% 1.0 0.0 5.29 1038 980 A 22 VAL H A 8 ALA HA 1.0 0.0 5.95 1039 981 A 22 VAL H A 36 TRP HA 1.0 0.0 6.30 1040 982 A 22 VAL H A 113 LEU HBx 1.0 0.0 5.27 1041 983 A 22 VAL H A 21 THR HG2% 1.0 0.0 4.27 1042 984 A 22 VAL H A 113 LEU HBy 1.0 0.0 5.05 1043 985 A 22 VAL H A 9 GLU HBx 1.0 0.0 6.30 1044 986 A 22 VAL H A 9 GLU HBy 1.0 0.0 5.73 1045 987 A 23 THR H A 24 ILE HD1% 1.0 0.0 5.20 1046 988 A 22 VAL H A 23 THR H 1.0 0.0 5.31 1047 989 A 6 TYR HD% A 24 ILE H 1.0 0.0 5.55 1048 990 A 6 TYR H A 24 ILE H 1.0 0.0 3.62 1049 991 A 24 ILE H A 35 ASP H 1.0 0.0 5.76 1050 992 A 5 THR HA A 24 ILE H 1.0 0.0 5.12 1051 993 A 6 TYR HA A 24 ILE H 1.0 0.0 4.99 1052 994 A 6 TYR HBy A 24 ILE H 1.0 0.0 5.45 1053 995 A 7 TYR HBx A 24 ILE H 1.0 0.0 5.38 1054 996 A 24 ILE H A 31 ILE HG2% 1.0 0.0 6.30 1055 997 A 6 TYR H A 25 GLU H 1.0 0.0 5.48 1056 998 A 25 GLU H A 33 SER HA 1.0 0.0 5.55 1057 999 A 25 GLU H A 31 ILE HA 1.0 0.0 5.73 1058 1000 A 26 VAL H A 32 VAL H 1.0 0.0 5.50 1059 1001 A 26 VAL H A 32 VAL HGx% 1.0 0.0 6.30 1060 1002 A 26 VAL H A 24 ILE HB 1.0 0.0 6.30 1061 1003 A 26 VAL H A 27 LYS HBx 1.0 0.0 6.30 1062 1004 A 26 VAL H A 31 ILE HA 1.0 0.0 5.90 1063 1005 A 26 VAL H A 3 ASP HA 1.0 0.0 5.26 1064 1006 A 28 ASN H A 28 ASN HD2x 1.0 0.0 6.30 1065 1007 A 28 ASN H A 32 VAL HGy% 1.0 0.0 6.24 1066 1008 A 32 VAL HGx% A 28 ASN HD2x 1.0 0.0 6.00 1067 1009 A 28 ASN HBy A 29 GLY H 1.0 0.0 5.28 1068 1010 A 29 GLY H A 3 ASP HB2 1.0 0.0 6.25 1069 1010 A 3 ASP HB3 A 29 GLY H 1.0 0.0 6.25 1070 1011 A 26 VAL HB A 29 GLY H 1.0 0.0 5.95 1071 1012 A 26 VAL HGy% A 29 GLY H 1.0 0.0 5.93 1072 1013 A 30 LYS H A 30 LYS HGy 1.0 0.0 4.01 1073 1014 A 26 VAL HA A 31 ILE H 1.0 0.0 5.33 1074 1015 A 31 ILE H A 83 GLN HA 1.0 0.0 5.92 1075 1016 A 31 ILE H A 31 ILE HG1y 1.0 0.0 3.75 1076 1017 A 25 GLU HA A 32 VAL H 1.0 0.0 6.02 1077 1018 A 32 VAL H A 31 ILE H 1.0 0.0 5.19 1078 1019 A 32 VAL H A 25 GLU HGy 1.0 0.0 5.42 1079 1020 A 26 VAL H A 33 SER H 1.0 0.0 6.21 1080 1021 A 25 GLU HA A 33 SER H 1.0 0.0 5.67 1081 1022 A 33 SER H A 80 VAL HA 1.0 0.0 5.71 1082 1023 A 25 GLU HGx A 33 SER H 1.0 0.0 5.23 1083 1024 A 33 SER H A 34 VAL HGx% 1.0 0.0 6.06 1084 1025 A 32 VAL HGx% A 33 SER H 1.0 0.0 4.63 1085 1026 A 34 VAL H A 25 GLU HGy 1.0 0.0 6.30 1086 1027 A 35 ASP H A 76 GLU HBx 1.0 0.0 6.30 1087 1028 A 24 ILE HG1y A 35 ASP H 1.0 0.0 6.30 1088 1029 A 24 ILE HD1% A 35 ASP H 1.0 0.0 5.42 1089 1030 A 36 TRP HE1 A 76 GLU HBy 1.0 0.0 5.86 1090 1031 A 38 ALA H A 39 ILE H 1.0 0.0 5.58 1091 1032 A 39 ILE HG1y A 38 ALA H 1.0 0.0 6.25 1092 1033 A 21 THR HG2% A 38 ALA H 1.0 0.0 5.20 1093 1034 A 47 LYS H A 39 ILE H 1.0 0.0 6.20 1094 1035 A 18 TRP HBy A 39 ILE H 1.0 0.0 6.30 1095 1036 A 37 ASN HA A 37 ASN HD2y 1.0 0.0 5.54 1096 1037 A 37 ASN HA A 37 ASN HD2x 1.0 0.0 5.54 1097 1038 A 18 TRP HA A 40 ASN H 1.0 0.0 5.71 1098 1039 A 40 ASN H A 46 ASP HA 1.0 0.0 4.75 1099 1040 A 39 ILE HG1x A 40 ASN H 1.0 0.0 5.33 1100 1041 A 40 ASN HD2y A 40 ASN H 1.0 0.0 6.14 1101 1042 A 40 ASN HD2y A 50 LEU HDx% 1.0 0.0 5.57 1102 1043 A 40 ASN H A 40 ASN HD2x 1.0 0.0 6.14 1103 1044 A 42 ASP H A 40 ASN H 1.0 0.0 6.03 1104 1045 A 44 GLY H A 42 ASP HA 1.0 0.0 6.02 1105 1046 A 44 GLY H A 45 ASP HA 1.0 0.0 6.30 1106 1047 A 40 ASN HBx A 44 GLY H 1.0 0.0 5.75 1107 1048 A 45 ASP H A 50 LEU HG 1.0 0.0 4.94 1108 1049 A 49 THR HG2% A 46 ASP H 1.0 0.0 4.49 1109 1050 A 47 LYS H A 47 LYS HGx 1.0 0.0 5.33 1110 1051 A 48 ASP H A 46 ASP H 1.0 0.0 5.41 1111 1052 A 48 ASP H A 49 THR HA 1.0 0.0 5.79 1112 1053 A 46 ASP HBy A 49 THR H 1.0 0.0 6.28 1113 1054 A 46 ASP HBx A 49 THR H 1.0 0.0 5.91 1114 1055 A 49 THR H A 48 ASP HBy 1.0 0.0 4.66 1115 1056 A 46 ASP HA A 50 LEU H 1.0 0.0 5.72 1116 1057 A 50 LEU H A 45 ASP HA 1.0 0.0 6.11 1117 1058 A 50 LEU H A 51 SER HA 1.0 0.0 6.30 1118 1059 A 49 THR HG2% A 51 SER H 1.0 0.0 6.03 1119 1060 A 50 LEU HDx% A 51 SER H 1.0 0.0 6.30 1120 1061 A 50 LEU HDy% A 51 SER H 1.0 0.0 6.30 1121 1062 A 51 SER H A 51 SER HB2 1.0 0.0 4.06 1122 1062 A 51 SER HB3 A 51 SER H 1.0 0.0 4.06 1123 1063 A 48 ASP H A 51 SER H 1.0 0.0 5.03 1124 1064 A 51 SER H A 53 ASN H 1.0 0.0 5.45 1125 1065 A 50 LEU H A 53 ASN H 1.0 0.0 5.49 1126 1066 A 53 ASN HD2y A 53 ASN HA 1.0 0.0 5.66 1127 1067 A 53 ASN HD2y A 49 THR HA 1.0 0.0 5.74 1128 1068 A 53 ASN HD2y A 52 ARG HB2 1.0 0.0 5.65 1129 1068 A 53 ASN HD2y A 52 ARG HB3 1.0 0.0 5.65 1130 1069 A 49 THR HA A 53 ASN HD2x 1.0 0.0 5.74 1131 1070 A 53 ASN HD2x A 53 ASN HA 1.0 0.0 5.66 1132 1071 A 53 ASN HD2x A 52 ARG HB2 1.0 0.0 5.65 1133 1071 A 52 ARG HB3 A 53 ASN HD2x 1.0 0.0 5.65 1134 1072 A 54 GLY H A 50 LEU HBy 1.0 0.0 6.30 1135 1073 A 54 GLY H A 50 LEU HBx 1.0 0.0 6.30 1136 1074 A 58 MET H A 57 LYS HBx 1.0 0.0 4.92 1137 1075 A 59 VAL H A 58 MET H 1.0 0.0 4.94 1138 1076 A 61 TYR H A 61 TYR HBy 1.0 0.0 4.13 1139 1077 A 63 GLY H A 64 ALA H 1.0 0.0 4.97 1140 1078 A 64 ALA HB% A 65 GLN HE2y 1.0 0.0 5.63 1141 1079 A 65 GLN HE2x A 66 ALA H 1.0 0.0 5.32 1142 1080 A 65 GLN HE2x A 67 GLU H 1.0 0.0 6.30 1143 1081 A 21 THR H A 68 TRP H 1.0 0.0 6.30 1144 1082 A 68 TRP HZ3 A 68 TRP H 1.0 0.0 6.30 1145 1083 A 68 TRP HE1 A 68 TRP H 1.0 0.0 5.28 1146 1084 A 68 TRP HE1 A 68 TRP HA 1.0 0.0 6.30 1147 1085 A 68 TRP HE1 A 109 LYS HBx 1.0 0.0 5.50 1148 1086 A 68 TRP HE1 A 113 LEU HBy 1.0 0.0 6.14 1149 1087 A 68 TRP HE1 A 113 LEU HBx 1.0 0.0 6.30 1150 1088 A 68 TRP HE1 A 110 PHE HBx 1.0 0.0 5.90 1151 1089 A 72 ALA H A 68 TRP HZ3 1.0 0.0 5.95 1152 1090 A 72 ALA H A 68 TRP HA 1.0 0.0 5.52 1153 1091 A 73 GLU H A 68 TRP HA 1.0 0.0 6.29 1154 1092 A 73 GLU H A 71 GLN HA 1.0 0.0 5.30 1155 1093 A 72 ALA HB% A 75 VAL H 1.0 0.0 5.43 1156 1094 A 75 VAL H A 76 GLU HBy 1.0 0.0 6.06 1157 1095 A 75 VAL H A 72 ALA HA 1.0 0.0 4.44 1158 1096 A 75 VAL H A 71 GLN HA 1.0 0.0 6.24 1159 1097 A 76 GLU H A 78 TYR HBy 1.0 0.0 6.13 1160 1098 A 75 VAL HGx% A 77 ALA H 1.0 0.0 5.35 1161 1099 A 77 ALA H A 78 TYR HBx 1.0 0.0 5.37 1162 1100 A 75 VAL H A 77 ALA H 1.0 0.0 4.55 1163 1101 A 77 ALA H A 75 VAL HA 1.0 0.0 5.23 1164 1102 A 75 VAL HGx% A 78 TYR H 1.0 0.0 5.35 1165 1103 A 76 GLU HBy A 78 TYR H 1.0 0.0 5.95 1166 1104 A 76 GLU H A 78 TYR H 1.0 0.0 5.07 1167 1105 A 81 GLU H A 78 TYR H 1.0 0.0 5.32 1168 1106 A 75 VAL H A 78 TYR H 1.0 0.0 6.30 1169 1107 A 79 LEU H A 77 ALA HA 1.0 0.0 5.43 1170 1108 A 76 GLU H A 79 LEU H 1.0 0.0 5.92 1171 1109 A 79 LEU H A 82 LYS H 1.0 0.0 6.22 1172 1110 A 80 VAL H A 83 GLN H 1.0 0.0 5.58 1173 1111 A 81 GLU H A 83 GLN HE2y 1.0 0.0 6.00 1174 1112 A 81 GLU H A 80 VAL HB 1.0 0.0 3.48 1175 1113 A 81 GLU H A 81 GLU HGy 1.0 0.0 3.97 1176 1114 A 82 LYS H A 82 LYS HBy 1.0 0.0 4.03 1177 1115 A 83 GLN HE2x A 80 VAL HGx% 1.0 0.0 4.41 1178 1116 A 82 LYS HBy A 84 ASP H 1.0 0.0 3.92 1179 1117 A 86 THR H A 111 PHE HE% 1.0 0.0 6.30 1180 1118 A 86 THR H A 115 GLN HE2y 1.0 0.0 6.30 1181 1119 A 87 ASP HBy A 86 THR H 1.0 0.0 5.33 1182 1120 A 85 PRO HDx A 87 ASP H 1.0 0.0 5.79 1183 1121 A 84 ASP H A 87 ASP H 1.0 0.0 5.21 1184 1122 A 94 ASP H A 94 ASP HBx 1.0 0.0 4.04 1185 1123 A 94 ASP H A 94 ASP HBy 1.0 0.0 3.75 1186 1124 A 94 ASP H A 93 ASN HBx 1.0 0.0 4.98 1187 1125 A 90 TYR HBx A 94 ASP H 1.0 0.0 6.26 1188 1126 A 94 ASP H A 93 ASN HBy 1.0 0.0 4.98 1189 1127 A 94 ASP H A 95 GLY HAx 1.0 0.0 4.96 1190 1128 A 90 TYR HBy A 94 ASP H 1.0 0.0 5.83 1191 1129 A 94 ASP H A 95 GLY HAy 1.0 0.0 5.26 1192 1130 A 90 TYR HD% A 94 ASP H 1.0 0.0 6.30 1193 1131 A 90 TYR HBx A 95 GLY H 1.0 0.0 5.50 1194 1132 A 96 HIS H A 96 HIS HD2 1.0 0.0 5.66 1195 1133 A 97 THR H A 98 ASP HA 1.0 0.0 5.72 1196 1134 A 97 THR H A 100 ILE H 1.0 0.0 5.71 1197 1135 A 97 THR H A 107 VAL H 1.0 0.0 5.30 1198 1136 A 98 ASP H A 100 ILE H 1.0 0.0 5.49 1199 1137 A 99 ALA H A 97 THR H 1.0 0.0 5.40 1200 1138 A 99 ALA H A 91 LYS HDy 1.0 0.0 5.91 1201 1139 A 99 ALA H A 100 ILE HB 1.0 0.0 6.23 1202 1140 A 99 ALA H A 100 ILE HD1% 1.0 0.0 5.35 1203 1141 A 100 ILE HB A 101 SER H 1.0 0.0 5.53 1204 1142 A 102 GLY H A 100 ILE HG2% 1.0 0.0 5.78 1205 1143 A 102 GLY H A 100 ILE HB 1.0 0.0 5.68 1206 1144 A 104 THR H A 105 ILE H 1.0 0.0 3.93 1207 1145 A 103 ALA HB% A 105 ILE H 1.0 0.0 4.00 1208 1146 A 105 ILE H A 104 THR HG2% 1.0 0.0 4.46 1209 1147 A 111 PHE H A 114 ALA H 1.0 0.0 5.33 1210 1148 A 111 PHE H A 107 VAL HA 1.0 0.0 5.39 1211 1149 A 111 PHE H A 112 ASP HBx 1.0 0.0 6.30 1212 1150 A 112 ASP H A 115 GLN HBx 1.0 0.0 6.30 1213 1151 A 110 PHE HD% A 114 ALA H 1.0 0.0 5.70 1214 1152 A 112 ASP HA A 114 ALA H 1.0 0.0 5.20 1215 1153 A 22 VAL HB A 114 ALA H 1.0 0.0 5.47 1216 1154 A 112 ASP H A 115 GLN H 1.0 0.0 5.62 1217 1155 A 117 ALA H A 115 GLN H 1.0 0.0 4.60 1218 1156 A 115 GLN H A 115 GLN HE2y 1.0 0.0 5.61 1219 1157 A 22 VAL HGx% A 115 GLN H 1.0 0.0 6.30 1220 1158 A 115 GLN H A 113 LEU HD1% 1.0 0.0 6.30 1221 1158 A 113 LEU HD2% A 115 GLN H 1.0 0.0 6.30 1222 1159 A 116 LYS H A 116 LYS HDx 1.0 0.0 4.73 1223 1160 A 116 LYS H A 116 LYS HDy 1.0 0.0 4.73 1224 1161 A 8 ALA HA A 117 ALA H 1.0 0.0 6.30 1225 1162 A 6 TYR HBy A 117 ALA H 1.0 0.0 5.63 1226 1163 A 118 LEU H A 120 ASP H 1.0 0.0 5.44 1227 1164 A 115 GLN H A 118 LEU H 1.0 0.0 5.75 1228 1165 A 6 TYR HBy A 118 LEU H 1.0 0.0 5.76 1229 1166 A 118 LEU H A 24 ILE HG1x 1.0 0.0 5.76 1230 1167 A 6 TYR HBy A 123 LYS H 1.0 0.0 6.30 1231 1168 A 123 LYS H A 123 LYS HE2 1.0 0.0 6.30 1232 1168 A 123 LYS H A 123 LYS HE3 1.0 0.0 6.30 1233 1169 A 1 MET HA A 2 LYS HA 1.0 0.0 4.75 1234 1170 A 1 MET HA A 29 GLY HAy 1.0 0.0 6.30 1235 1171 A 1 MET HA A 1 MET HGx 1.0 0.0 4.36 1236 1172 A 2 LYS HA A 1 MET HB2 1.0 0.0 5.28 1237 1172 A 2 LYS HA A 1 MET HB3 1.0 0.0 5.28 1238 1173 A 26 VAL HGx% A 1 MET HB2 1.0 0.0 3.81 1239 1173 A 26 VAL HGx% A 1 MET HB3 1.0 0.0 3.81 1240 1174 A 1 MET HA A 1 MET HGy 1.0 0.0 4.36 1241 1175 A 26 VAL HGy% A 1 MET HGy 1.0 0.0 5.09 1242 1176 A 1 MET HE% A 31 ILE H 1.0 0.0 4.04 1243 1177 A 30 LYS HA A 1 MET HE% 1.0 0.0 4.07 1244 1178 A 31 ILE HA A 1 MET HE% 1.0 0.0 4.88 1245 1179 A 1 MET HE% A 85 PRO HDy 1.0 0.0 5.28 1246 1180 A 1 MET HE% A 85 PRO HDx 1.0 0.0 4.83 1247 1181 A 1 MET HE% A 1 MET HGy 1.0 0.0 4.47 1248 1182 A 24 ILE HG2% A 1 MET HE% 1.0 0.0 4.07 1249 1183 A 26 VAL HGy% A 1 MET HE% 1.0 0.0 3.50 1250 1184 A 26 VAL HGx% A 1 MET HE% 1.0 0.0 3.23 1251 1185 A 115 GLN HGx A 85 PRO HBy 1.0 0.0 4.68 1252 1186 A 1 MET HE% A 1 MET HGx 1.0 0.0 4.47 1253 1187 A 121 ALA HB% A 1 MET HGx 1.0 0.0 4.55 1254 1188 A 26 VAL HGy% A 1 MET HGx 1.0 0.0 5.09 1255 1189 A 60 GLU HA A 59 VAL HA 1.0 0.0 4.80 1256 1190 A 2 LYS HA A 2 LYS HGy 1.0 0.0 4.27 1257 1191 A 113 LEU HG A 109 LYS HGx 1.0 0.0 4.51 1258 1192 A 2 LYS H A 2 LYS HE2 1.0 0.0 5.58 1259 1192 A 2 LYS H A 2 LYS HE3 1.0 0.0 5.58 1260 1193 A 109 LYS HGy A 109 LYS HE2 1.0 0.0 3.98 1261 1193 A 109 LYS HGy A 109 LYS HE3 1.0 0.0 3.98 1262 1194 A 3 ASP H A 2 LYS HGx 1.0 0.0 5.26 1263 1195 A 2 LYS HA A 2 LYS HGx 1.0 0.0 4.27 1264 1196 A 119 LYS HG3 A 123 LYS HD2 1.0 0.0 2.82 1265 1196 A 119 LYS HG2 A 123 LYS HD2 1.0 0.0 2.82 1266 1196 A 123 LYS HD3 A 119 LYS HG2 1.0 0.0 2.82 1267 1196 A 119 LYS HG3 A 123 LYS HD3 1.0 0.0 2.82 1268 1197 A 123 LYS HBx A 124 LEU H 1.0 0.0 4.83 1269 1198 A 6 TYR HA A 123 LYS HBx 1.0 0.0 4.60 1270 1199 A 79 LEU HDy% A 82 LYS HBy 1.0 0.0 4.08 1271 1200 A 109 LYS HA A 109 LYS HDy 1.0 0.0 5.13 1272 1201 A 113 LEU HD2% A 109 LYS HDy 1.0 0.0 5.46 1273 1201 A 109 LYS HDy A 113 LEU HD1% 1.0 0.0 5.46 1274 1202 A 123 LYS HBy A 123 LYS H 1.0 0.0 3.98 1275 1203 A 6 TYR HA A 123 LYS HBy 1.0 0.0 5.97 1276 1204 A 9 GLU HBx A 19 LYS HA 1.0 0.0 6.30 1277 1205 A 113 LEU HD1% A 116 LYS HB2 1.0 0.0 4.57 1278 1205 A 113 LEU HD2% A 116 LYS HB2 1.0 0.0 4.57 1279 1205 A 116 LYS HB3 A 113 LEU HD1% 1.0 0.0 4.57 1280 1205 A 113 LEU HD2% A 116 LYS HB3 1.0 0.0 4.57 1281 1206 A 109 LYS HA A 109 LYS HDx 1.0 0.0 5.13 1282 1207 A 113 LEU HD2% A 109 LYS HDx 1.0 0.0 5.46 1283 1207 A 109 LYS HDx A 113 LEU HD1% 1.0 0.0 5.46 1284 1208 A 65 GLN HA A 66 ALA H 1.0 0.0 3.64 1285 1209 A 57 LYS HA A 58 MET HA 1.0 0.0 4.90 1286 1210 A 65 GLN HA A 65 GLN HG2 1.0 0.0 3.65 1287 1210 A 65 GLN HG3 A 65 GLN HA 1.0 0.0 3.65 1288 1211 A 64 ALA HB% A 65 GLN HA 1.0 0.0 4.41 1289 1212 A 26 VAL HGy% A 3 ASP HA 1.0 0.0 4.90 1290 1213 A 26 VAL HGx% A 3 ASP HA 1.0 0.0 3.57 1291 1214 A 25 GLU HA A 5 THR HB 1.0 0.0 5.66 1292 1215 A 6 TYR HA A 5 THR HB 1.0 0.0 4.96 1293 1216 A 25 GLU HA A 5 THR HA 1.0 0.0 3.97 1294 1217 A 25 GLU HA A 5 THR HG2% 1.0 0.0 4.25 1295 1218 A 5 THR HA A 5 THR HG2% 1.0 0.0 3.55 1296 1219 A 107 VAL HGx% A 108 LYS HA 1.0 0.0 4.15 1297 1220 A 5 THR HG2% A 23 THR HG2% 1.0 0.0 2.90 1298 1221 A 6 TYR HBx A 24 ILE HG1x 1.0 0.0 6.30 1299 1222 A 6 TYR HBx A 118 LEU HDx% 1.0 0.0 5.41 1300 1223 A 23 THR HA A 7 TYR HA 1.0 0.0 4.11 1301 1224 A 7 TYR HA A 24 ILE HA 1.0 0.0 6.14 1302 1225 A 7 TYR HA A 8 ALA HA 1.0 0.0 4.99 1303 1226 A 117 ALA HB% A 7 TYR HA 1.0 0.0 4.59 1304 1227 A 8 ALA HB% A 117 ALA H 1.0 0.0 3.98 1305 1228 A 117 ALA HA A 8 ALA HB% 1.0 0.0 3.72 1306 1229 A 8 ALA HB% A 113 LEU HA 1.0 0.0 4.22 1307 1230 A 8 ALA HB% A 116 LYS HB2 1.0 0.0 3.70 1308 1230 A 8 ALA HB% A 116 LYS HB3 1.0 0.0 3.70 1309 1231 A 8 ALA HB% A 22 VAL HGy% 1.0 0.0 4.90 1310 1232 A 7 TYR HD% A 8 ALA HA 1.0 0.0 4.94 1311 1233 A 22 VAL H A 9 GLU HA 1.0 0.0 4.63 1312 1234 A 9 GLU HA A 21 THR HA 1.0 0.0 3.80 1313 1235 A 9 GLU HA A 8 ALA HA 1.0 0.0 4.71 1314 1236 A 9 GLU HA A 8 ALA HB% 1.0 0.0 5.46 1315 1237 A 9 GLU HA A 19 LYS HG2 1.0 0.0 5.76 1316 1237 A 9 GLU HA A 19 LYS HG3 1.0 0.0 5.76 1317 1238 A 9 GLU HA A 113 LEU HG 1.0 0.0 4.33 1318 1239 A 21 THR HA A 9 GLU HBx 1.0 0.0 5.40 1319 1240 A 82 LYS HBy A 84 ASP HA 1.0 0.0 6.18 1320 1241 A 27 LYS HBy A 32 VAL HB 1.0 0.0 4.22 1321 1242 A 9 GLU HA A 10 ALA HB% 1.0 0.0 4.44 1322 1243 A 10 ALA HB% A 19 LYS HA 1.0 0.0 3.95 1323 1244 A 10 ALA HB% A 109 LYS HE2 1.0 0.0 4.12 1324 1244 A 10 ALA HB% A 109 LYS HE3 1.0 0.0 4.12 1325 1245 A 10 ALA HB% A 20 ASP HBy 1.0 0.0 4.68 1326 1246 A 10 ALA HB% A 20 ASP HBx 1.0 0.0 4.68 1327 1247 A 21 THR HG2% A 10 ALA HB% 1.0 0.0 4.48 1328 1248 A 10 ALA HB% A 19 LYS HG2 1.0 0.0 3.98 1329 1248 A 10 ALA HB% A 19 LYS HG3 1.0 0.0 3.98 1330 1249 A 10 ALA HB% A 113 LEU HG 1.0 0.0 3.87 1331 1250 A 10 ALA HB% A 113 LEU HD1% 1.0 0.0 3.83 1332 1250 A 10 ALA HB% A 113 LEU HD2% 1.0 0.0 3.83 1333 1251 A 113 LEU HG A 10 ALA HA 1.0 0.0 4.80 1334 1252 A 123 LYS HA A 123 LYS HGx 1.0 0.0 4.46 1335 1253 A 12 ASP H A 12 ASP HBy 1.0 0.0 4.12 1336 1254 A 13 PHE HD% A 13 PHE HA 1.0 0.0 4.12 1337 1255 A 13 PHE HA A 19 LYS HA 1.0 0.0 4.59 1338 1256 A 74 LYS HA A 77 ALA HB% 1.0 0.0 3.62 1339 1257 A 13 PHE HA A 19 LYS HBx 1.0 0.0 4.55 1340 1258 A 41 LYS HBy A 13 PHE HBx 1.0 0.0 5.76 1341 1259 A 13 PHE HBx A 41 LYS HG2 1.0 0.0 6.09 1342 1259 A 41 LYS HG3 A 13 PHE HBx 1.0 0.0 6.09 1343 1260 A 12 ASP HA A 13 PHE HBy 1.0 0.0 5.78 1344 1261 A 13 PHE HBy A 14 ASP HA 1.0 0.0 6.30 1345 1262 A 13 PHE HBy A 41 LYS HDy 1.0 0.0 6.12 1346 1263 A 15 GLU H A 15 GLU HBx 1.0 0.0 4.20 1347 1264 A 16 SER H A 16 SER HBx 1.0 0.0 4.30 1348 1265 A 18 TRP HD1 A 16 SER HBx 1.0 0.0 4.09 1349 1266 A 16 SER H A 16 SER HBy 1.0 0.0 4.30 1350 1267 A 13 PHE HBx A 17 GLY HAx 1.0 0.0 5.03 1351 1268 A 59 VAL HG1% A 17 GLY HAx 1.0 0.0 5.85 1352 1269 A 59 VAL HG2% A 17 GLY HAx 1.0 0.0 6.05 1353 1270 A 41 LYS HBx A 17 GLY HAx 1.0 0.0 5.37 1354 1271 A 13 PHE HBx A 17 GLY HAy 1.0 0.0 5.03 1355 1272 A 59 VAL HG1% A 17 GLY HAy 1.0 0.0 5.85 1356 1273 A 59 VAL HG2% A 17 GLY HAy 1.0 0.0 6.05 1357 1274 A 41 LYS HBy A 17 GLY HAy 1.0 0.0 5.39 1358 1275 A 41 LYS HBx A 17 GLY HAy 1.0 0.0 5.37 1359 1276 A 18 TRP HA A 19 LYS HBy 1.0 0.0 5.53 1360 1277 A 18 TRP HBx A 38 ALA HB% 1.0 0.0 4.23 1361 1278 A 18 TRP HBy A 18 TRP HE1 1.0 0.0 5.46 1362 1279 A 18 TRP HBy A 38 ALA HB% 1.0 0.0 4.99 1363 1280 A 108 LYS HE2 A 108 LYS HG2 1.0 0.0 4.40 1364 1280 A 108 LYS HE3 A 108 LYS HG2 1.0 0.0 4.40 1365 1280 A 108 LYS HG3 A 108 LYS HE2 1.0 0.0 4.40 1366 1280 A 108 LYS HG3 A 108 LYS HE3 1.0 0.0 4.40 1367 1281 A 9 GLU HBx A 19 LYS HG2 1.0 0.0 4.71 1368 1281 A 9 GLU HBx A 19 LYS HG3 1.0 0.0 4.71 1369 1282 A 27 LYS HD2 A 27 LYS HE2 1.0 0.0 3.00 1370 1282 A 27 LYS HD3 A 27 LYS HE2 1.0 0.0 3.00 1371 1282 A 27 LYS HE3 A 27 LYS HD2 1.0 0.0 3.00 1372 1282 A 27 LYS HD3 A 27 LYS HE3 1.0 0.0 3.00 1373 1283 A 13 PHE HD% A 19 LYS HBy 1.0 0.0 5.83 1374 1284 A 38 ALA HA A 20 ASP HA 1.0 0.0 4.02 1375 1285 A 21 THR HG2% A 20 ASP HA 1.0 0.0 4.88 1376 1286 A 113 LEU HG A 20 ASP HBx 1.0 0.0 5.01 1377 1287 A 113 LEU HD2% A 20 ASP HBx 1.0 0.0 5.52 1378 1287 A 20 ASP HBx A 113 LEU HD1% 1.0 0.0 5.52 1379 1288 A 109 LYS HGy A 20 ASP HBy 1.0 0.0 5.25 1380 1289 A 113 LEU HD2% A 20 ASP HBy 1.0 0.0 5.52 1381 1289 A 20 ASP HBy A 113 LEU HD1% 1.0 0.0 5.52 1382 1290 A 7 TYR HE% A 21 THR HB 1.0 0.0 3.97 1383 1291 A 38 ALA HA A 21 THR HB 1.0 0.0 5.31 1384 1292 A 21 THR HG2% A 39 ILE H 1.0 0.0 3.66 1385 1293 A 21 THR HG2% A 20 ASP H 1.0 0.0 5.69 1386 1294 A 21 THR HG2% A 38 ALA HA 1.0 0.0 3.66 1387 1295 A 9 GLU HA A 21 THR HG2% 1.0 0.0 3.97 1388 1296 A 21 THR HA A 21 THR HG2% 1.0 0.0 3.50 1389 1297 A 21 THR HG2% A 19 LYS HA 1.0 0.0 4.88 1390 1298 A 21 THR HG2% A 9 GLU HGy 1.0 0.0 4.62 1391 1299 A 21 THR HG2% A 9 GLU HBy 1.0 0.0 3.68 1392 1300 A 21 THR HG2% A 9 GLU HBx 1.0 0.0 3.87 1393 1301 A 21 THR HG2% A 19 LYS HD2 1.0 0.0 5.25 1394 1301 A 21 THR HG2% A 19 LYS HD3 1.0 0.0 5.25 1395 1302 A 22 VAL HGx% A 23 THR H 1.0 0.0 3.76 1396 1303 A 22 VAL HGx% A 110 PHE HE% 1.0 0.0 3.94 1397 1304 A 22 VAL HA A 22 VAL HGx% 1.0 0.0 3.80 1398 1305 A 22 VAL HGx% A 114 ALA HA 1.0 0.0 3.53 1399 1306 A 22 VAL HGx% A 34 VAL HGy% 1.0 0.0 3.63 1400 1307 A 22 VAL HGy% A 114 ALA H 1.0 0.0 4.54 1401 1308 A 22 VAL HGy% A 68 TRP HD1 1.0 0.0 4.36 1402 1309 A 22 VAL HA A 22 VAL HGy% 1.0 0.0 3.91 1403 1310 A 21 THR HA A 22 VAL HGy% 1.0 0.0 5.02 1404 1311 A 22 VAL HGy% A 114 ALA HA 1.0 0.0 4.67 1405 1312 A 22 VAL HGy% A 110 PHE HA 1.0 0.0 3.99 1406 1313 A 22 VAL HGy% A 113 LEU HBy 1.0 0.0 3.80 1407 1314 A 22 VAL HB A 113 LEU HBy 1.0 0.0 4.46 1408 1315 A 117 ALA HB% A 22 VAL HB 1.0 0.0 5.24 1409 1316 A 22 VAL HB A 24 ILE HD1% 1.0 0.0 4.79 1410 1317 A 23 THR H A 23 THR HB 1.0 0.0 4.07 1411 1318 A 22 VAL HA A 23 THR HB 1.0 0.0 5.18 1412 1319 A 7 TYR HBy A 23 THR HB 1.0 0.0 5.39 1413 1320 A 23 THR HB A 35 ASP HBy 1.0 0.0 4.24 1414 1321 A 24 ILE HB A 23 THR HA 1.0 0.0 5.16 1415 1322 A 117 ALA HB% A 23 THR HA 1.0 0.0 5.07 1416 1323 A 23 THR HG2% A 24 ILE H 1.0 0.0 3.66 1417 1324 A 23 THR HG2% A 35 ASP H 1.0 0.0 4.97 1418 1325 A 23 THR HG2% A 23 THR H 1.0 0.0 4.25 1419 1326 A 23 THR HG2% A 7 TYR HD% 1.0 0.0 4.13 1420 1327 A 23 THR HG2% A 7 TYR HE% 1.0 0.0 5.92 1421 1328 A 23 THR HG2% A 7 TYR HA 1.0 0.0 4.59 1422 1329 A 23 THR HG2% A 23 THR HA 1.0 0.0 3.40 1423 1330 A 5 THR HA A 23 THR HG2% 1.0 0.0 4.99 1424 1331 A 6 TYR HA A 23 THR HG2% 1.0 0.0 4.95 1425 1332 A 5 THR HB A 23 THR HG2% 1.0 0.0 4.75 1426 1333 A 23 THR HG2% A 7 TYR HBy 1.0 0.0 4.37 1427 1334 A 23 THR HG2% A 35 ASP HBy 1.0 0.0 4.85 1428 1335 A 23 THR HG2% A 35 ASP HBx 1.0 0.0 4.85 1429 1336 A 6 TYR HBx A 23 THR HG2% 1.0 0.0 5.67 1430 1337 A 23 THR HG2% A 25 GLU HBy 1.0 0.0 4.96 1431 1338 A 24 ILE HB A 23 THR HG2% 1.0 0.0 5.12 1432 1339 A 23 THR HG2% A 24 ILE HG1y 1.0 0.0 4.80 1433 1340 A 50 LEU H A 50 LEU HBy 1.0 0.0 4.20 1434 1341 A 56 TYR HA A 50 LEU HBy 1.0 0.0 5.86 1435 1342 A 6 TYR HBy A 24 ILE HB 1.0 0.0 4.69 1436 1343 A 47 LYS HA A 50 LEU HBy 1.0 0.0 4.79 1437 1344 A 6 TYR HBx A 24 ILE HB 1.0 0.0 4.27 1438 1345 A 50 LEU HDx% A 50 LEU HBy 1.0 0.0 3.98 1439 1346 A 24 ILE HB A 24 ILE HD1% 1.0 0.0 4.25 1440 1347 A 24 ILE HB A 118 LEU HDx% 1.0 0.0 4.53 1441 1348 A 24 ILE HD1% A 114 ALA HA 1.0 0.0 3.58 1442 1349 A 105 ILE HD1% A 105 ILE HB 1.0 0.0 4.18 1443 1350 A 1 MET HE% A 31 ILE HD1% 1.0 0.0 3.76 1444 1351 A 31 ILE HB A 31 ILE HD1% 1.0 0.0 3.13 1445 1352 A 34 VAL HGy% A 24 ILE HD1% 1.0 0.0 3.65 1446 1353 A 22 VAL HGx% A 24 ILE HD1% 1.0 0.0 3.13 1447 1354 A 24 ILE HG2% A 24 ILE H 1.0 0.0 4.62 1448 1355 A 24 ILE HG2% A 33 SER H 1.0 0.0 4.84 1449 1356 A 25 GLU HA A 24 ILE HG2% 1.0 0.0 4.62 1450 1357 A 26 VAL HA A 24 ILE HG2% 1.0 0.0 4.84 1451 1358 A 24 ILE HG2% A 24 ILE HA 1.0 0.0 3.69 1452 1359 A 24 ILE HG2% A 31 ILE HA 1.0 0.0 4.42 1453 1360 A 6 TYR HBx A 24 ILE HG2% 1.0 0.0 4.54 1454 1361 A 24 ILE HG2% A 24 ILE HG1y 1.0 0.0 3.81 1455 1362 A 117 ALA HB% A 24 ILE HG2% 1.0 0.0 4.58 1456 1363 A 24 ILE HG2% A 24 ILE HD1% 1.0 0.0 3.30 1457 1364 A 24 ILE HG2% A 118 LEU HDy% 1.0 0.0 3.57 1458 1365 A 117 ALA HB% A 24 ILE HG1y 1.0 0.0 3.97 1459 1366 A 22 VAL HGx% A 24 ILE HG1y 1.0 0.0 4.05 1460 1367 A 25 GLU HBx A 33 SER H 1.0 0.0 4.64 1461 1368 A 5 THR HG2% A 25 GLU HBx 1.0 0.0 5.13 1462 1369 A 24 ILE HG2% A 25 GLU HBx 1.0 0.0 5.08 1463 1370 A 25 GLU HBx A 32 VAL HGy% 1.0 0.0 3.94 1464 1371 A 25 GLU H A 25 GLU HGy 1.0 0.0 4.87 1465 1372 A 25 GLU HA A 25 GLU HGy 1.0 0.0 4.32 1466 1373 A 26 VAL HA A 25 GLU HGy 1.0 0.0 5.49 1467 1374 A 25 GLU HGy A 34 VAL HA 1.0 0.0 6.30 1468 1375 A 25 GLU HGy A 33 SER HBy 1.0 0.0 5.21 1469 1376 A 25 GLU HGy A 32 VAL HGx% 1.0 0.0 4.99 1470 1377 A 25 GLU H A 25 GLU HBy 1.0 0.0 4.17 1471 1378 A 25 GLU HBy A 33 SER H 1.0 0.0 5.06 1472 1379 A 119 LYS HBy A 119 LYS H 1.0 0.0 3.78 1473 1380 A 5 THR HG2% A 25 GLU HBy 1.0 0.0 5.15 1474 1381 A 75 VAL HB A 107 VAL HGx% 1.0 0.0 5.82 1475 1382 A 25 GLU HBy A 32 VAL HGy% 1.0 0.0 4.73 1476 1383 A 26 VAL H A 25 GLU HGx 1.0 0.0 4.75 1477 1384 A 25 GLU HGx A 25 GLU H 1.0 0.0 5.21 1478 1385 A 109 LYS H A 110 PHE HBy 1.0 0.0 5.65 1479 1386 A 25 GLU HA A 25 GLU HGx 1.0 0.0 4.44 1480 1387 A 25 GLU HGx A 32 VAL HGy% 1.0 0.0 4.14 1481 1388 A 26 VAL HGx% A 26 VAL HA 1.0 0.0 3.79 1482 1389 A 26 VAL HGx% A 27 LYS HA 1.0 0.0 4.84 1483 1390 A 1 MET HA A 26 VAL HGx% 1.0 0.0 4.98 1484 1391 A 26 VAL HGy% A 27 LYS H 1.0 0.0 4.64 1485 1392 A 26 VAL HGy% A 25 GLU HA 1.0 0.0 4.92 1486 1393 A 26 VAL HGy% A 26 VAL HA 1.0 0.0 3.72 1487 1394 A 26 VAL HGy% A 31 ILE HA 1.0 0.0 4.05 1488 1395 A 26 VAL HGy% A 1 MET HB2 1.0 0.0 4.25 1489 1395 A 26 VAL HGy% A 1 MET HB3 1.0 0.0 4.25 1490 1396 A 26 VAL HB A 6 TYR HD% 1.0 0.0 5.29 1491 1397 A 26 VAL HB A 3 ASP HA 1.0 0.0 4.22 1492 1398 A 27 LYS HA A 28 ASN H 1.0 0.0 3.29 1493 1399 A 28 ASN H A 27 LYS HGy 1.0 0.0 4.67 1494 1400 A 27 LYS H A 27 LYS HGy 1.0 0.0 5.33 1495 1401 A 27 LYS HA A 27 LYS HGy 1.0 0.0 4.13 1496 1402 A 27 LYS HGy A 27 LYS HE2 1.0 0.0 4.12 1497 1402 A 27 LYS HGy A 27 LYS HE3 1.0 0.0 4.12 1498 1403 A 32 VAL HGy% A 27 LYS HGy 1.0 0.0 4.77 1499 1404 A 27 LYS HA A 27 LYS HGx 1.0 0.0 4.11 1500 1405 A 27 LYS HGx A 28 ASN HBy 1.0 0.0 5.07 1501 1406 A 27 LYS HGx A 27 LYS HE2 1.0 0.0 4.13 1502 1406 A 27 LYS HGx A 27 LYS HE3 1.0 0.0 4.13 1503 1407 A 28 ASN H A 27 LYS HD2 1.0 0.0 4.79 1504 1407 A 28 ASN H A 27 LYS HD3 1.0 0.0 4.79 1505 1408 A 27 LYS HA A 27 LYS HD2 1.0 0.0 4.40 1506 1408 A 27 LYS HA A 27 LYS HD3 1.0 0.0 4.40 1507 1409 A 79 LEU HA A 82 LYS HD2 1.0 0.0 5.47 1508 1409 A 79 LEU HA A 82 LYS HD3 1.0 0.0 5.47 1509 1410 A 118 LEU HA A 123 LYS HD2 1.0 0.0 4.77 1510 1410 A 123 LYS HD3 A 118 LEU HA 1.0 0.0 4.77 1511 1411 A 89 LYS HD2 A 89 LYS HE2 1.0 0.0 3.14 1512 1411 A 89 LYS HD3 A 89 LYS HE2 1.0 0.0 3.14 1513 1411 A 89 LYS HE3 A 89 LYS HD2 1.0 0.0 3.14 1514 1411 A 89 LYS HD3 A 89 LYS HE3 1.0 0.0 3.14 1515 1412 A 32 VAL HGy% A 27 LYS HD2 1.0 0.0 3.87 1516 1412 A 32 VAL HGy% A 27 LYS HD3 1.0 0.0 3.87 1517 1413 A 27 LYS HBy A 27 LYS HE2 1.0 0.0 4.98 1518 1413 A 27 LYS HBy A 27 LYS HE3 1.0 0.0 4.98 1519 1414 A 28 ASN HBx A 29 GLY H 1.0 0.0 5.35 1520 1415 A 28 ASN HBx A 27 LYS HE2 1.0 0.0 6.30 1521 1415 A 28 ASN HBx A 27 LYS HE3 1.0 0.0 6.30 1522 1416 A 28 ASN HBx A 30 LYS HE2 1.0 0.0 6.30 1523 1416 A 28 ASN HBx A 30 LYS HE3 1.0 0.0 6.30 1524 1417 A 28 ASN HBx A 3 ASP HB2 1.0 0.0 5.57 1525 1417 A 3 ASP HB3 A 28 ASN HBx 1.0 0.0 5.57 1526 1418 A 27 LYS HGx A 28 ASN HBx 1.0 0.0 5.51 1527 1419 A 26 VAL HGx% A 29 GLY HAx 1.0 0.0 4.58 1528 1420 A 26 VAL HGx% A 29 GLY HAy 1.0 0.0 4.58 1529 1421 A 116 LYS HG3 A 119 LYS HEy 1.0 0.0 5.44 1530 1421 A 119 LYS HEy A 116 LYS HG2 1.0 0.0 5.44 1531 1422 A 116 LYS HG2 A 119 LYS HEx 1.0 0.0 5.44 1532 1422 A 116 LYS HG3 A 119 LYS HEx 1.0 0.0 5.44 1533 1423 A 27 LYS H A 30 LYS HB2 1.0 0.0 5.12 1534 1423 A 27 LYS H A 30 LYS HB3 1.0 0.0 5.12 1535 1424 A 83 GLN HE2y A 30 LYS HB2 1.0 0.0 5.35 1536 1424 A 30 LYS HB3 A 83 GLN HE2y 1.0 0.0 5.35 1537 1425 A 83 GLN HE2x A 30 LYS HB2 1.0 0.0 4.67 1538 1425 A 30 LYS HB3 A 83 GLN HE2x 1.0 0.0 4.67 1539 1426 A 32 VAL HGx% A 30 LYS HB2 1.0 0.0 4.38 1540 1426 A 32 VAL HGx% A 30 LYS HB3 1.0 0.0 4.38 1541 1427 A 30 LYS HA A 30 LYS HD2 1.0 0.0 4.91 1542 1427 A 30 LYS HA A 30 LYS HD3 1.0 0.0 4.91 1543 1428 A 32 VAL HGx% A 30 LYS HD2 1.0 0.0 4.68 1544 1428 A 32 VAL HGx% A 30 LYS HD3 1.0 0.0 4.68 1545 1429 A 30 LYS HA A 31 ILE HB 1.0 0.0 5.37 1546 1430 A 31 ILE HB A 79 LEU HDx% 1.0 0.0 4.80 1547 1431 A 26 VAL HA A 31 ILE HA 1.0 0.0 4.05 1548 1432 A 31 ILE H A 31 ILE HD1% 1.0 0.0 4.21 1549 1433 A 83 GLN HE2x A 31 ILE HD1% 1.0 0.0 5.13 1550 1434 A 31 ILE HA A 31 ILE HD1% 1.0 0.0 4.92 1551 1435 A 31 ILE HD1% A 85 PRO HDx 1.0 0.0 3.74 1552 1436 A 31 ILE HD1% A 80 VAL HA 1.0 0.0 4.95 1553 1437 A 24 ILE HG2% A 31 ILE HD1% 1.0 0.0 3.53 1554 1438 A 31 ILE HG2% A 31 ILE H 1.0 0.0 4.58 1555 1439 A 31 ILE HG2% A 83 GLN HE2x 1.0 0.0 4.88 1556 1440 A 31 ILE HG2% A 33 SER H 1.0 0.0 3.97 1557 1441 A 26 VAL HA A 31 ILE HG2% 1.0 0.0 4.96 1558 1442 A 24 ILE HA A 31 ILE HG2% 1.0 0.0 5.46 1559 1443 A 31 ILE HG2% A 34 VAL HA 1.0 0.0 6.02 1560 1444 A 31 ILE HG2% A 32 VAL HA 1.0 0.0 5.00 1561 1445 A 31 ILE HG2% A 33 SER HA 1.0 0.0 5.38 1562 1446 A 31 ILE HG2% A 31 ILE HA 1.0 0.0 3.85 1563 1447 A 31 ILE HG2% A 80 VAL HA 1.0 0.0 4.13 1564 1448 A 31 ILE HG2% A 34 VAL HB 1.0 0.0 4.82 1565 1449 A 24 ILE HG2% A 31 ILE HG2% 1.0 0.0 3.03 1566 1450 A 31 ILE HG2% A 79 LEU HDx% 1.0 0.0 3.41 1567 1451 A 80 VAL HGx% A 32 VAL HA 1.0 0.0 3.83 1568 1452 A 26 VAL HA A 32 VAL HGy% 1.0 0.0 4.13 1569 1453 A 32 VAL HGy% A 32 VAL HA 1.0 0.0 3.76 1570 1454 A 27 LYS HA A 32 VAL HGy% 1.0 0.0 4.70 1571 1455 A 31 ILE HA A 32 VAL HGy% 1.0 0.0 4.34 1572 1456 A 32 VAL HGy% A 33 SER HBy 1.0 0.0 4.51 1573 1457 A 32 VAL HGy% A 27 LYS HE2 1.0 0.0 4.43 1574 1457 A 32 VAL HGy% A 27 LYS HE3 1.0 0.0 4.43 1575 1458 A 25 GLU HGy A 32 VAL HGy% 1.0 0.0 4.02 1576 1459 A 27 LYS HBy A 32 VAL HGy% 1.0 0.0 3.43 1577 1460 A 27 LYS HBx A 32 VAL HGy% 1.0 0.0 3.46 1578 1461 A 27 LYS HGx A 32 VAL HGy% 1.0 0.0 4.12 1579 1462 A 32 VAL HGx% A 28 ASN HD2y 1.0 0.0 4.99 1580 1463 A 32 VAL HGx% A 32 VAL HA 1.0 0.0 3.14 1581 1464 A 27 LYS HA A 32 VAL HGx% 1.0 0.0 4.59 1582 1465 A 31 ILE HA A 32 VAL HGx% 1.0 0.0 4.51 1583 1466 A 32 VAL HGx% A 27 LYS HE2 1.0 0.0 5.10 1584 1466 A 32 VAL HGx% A 27 LYS HE3 1.0 0.0 5.10 1585 1467 A 32 VAL HGx% A 30 LYS HE2 1.0 0.0 5.52 1586 1467 A 32 VAL HGx% A 30 LYS HE3 1.0 0.0 5.52 1587 1468 A 32 VAL HGx% A 28 ASN HBx 1.0 0.0 4.60 1588 1469 A 27 LYS HBy A 32 VAL HGx% 1.0 0.0 3.36 1589 1470 A 27 LYS HBx A 32 VAL HGx% 1.0 0.0 3.68 1590 1471 A 66 ALA H A 65 GLN HG2 1.0 0.0 5.16 1591 1471 A 65 GLN HG3 A 66 ALA H 1.0 0.0 5.16 1592 1472 A 27 LYS HGx A 32 VAL HB 1.0 0.0 6.00 1593 1473 A 64 ALA HB% A 65 GLN HG2 1.0 0.0 6.21 1594 1473 A 65 GLN HG3 A 64 ALA HB% 1.0 0.0 6.21 1595 1474 A 34 VAL H A 33 SER HBx 1.0 0.0 4.15 1596 1475 A 25 GLU HGy A 33 SER HBx 1.0 0.0 5.21 1597 1476 A 80 VAL HGx% A 33 SER HBx 1.0 0.0 6.30 1598 1477 A 80 VAL HGx% A 33 SER HBy 1.0 0.0 6.30 1599 1478 A 32 VAL HGy% A 33 SER HBx 1.0 0.0 4.51 1600 1479 A 34 VAL H A 33 SER HBy 1.0 0.0 4.15 1601 1480 A 34 VAL HGy% A 34 VAL H 1.0 0.0 4.41 1602 1481 A 34 VAL HGy% A 110 PHE HZ 1.0 0.0 4.42 1603 1482 A 34 VAL HGy% A 34 VAL HA 1.0 0.0 3.77 1604 1483 A 80 VAL HGy% A 33 SER HA 1.0 0.0 3.83 1605 1484 A 75 VAL HGy% A 75 VAL HA 1.0 0.0 3.61 1606 1485 A 80 VAL HGy% A 80 VAL HA 1.0 0.0 3.48 1607 1486 A 34 VAL HGy% A 79 LEU HG 1.0 0.0 3.90 1608 1487 A 103 ALA HB% A 75 VAL HGy% 1.0 0.0 3.03 1609 1488 A 34 VAL HGx% A 110 PHE HE% 1.0 0.0 3.77 1610 1489 A 34 VAL HGx% A 110 PHE HD% 1.0 0.0 5.47 1611 1490 A 34 VAL HGx% A 35 ASP HA 1.0 0.0 4.78 1612 1491 A 34 VAL HA A 34 VAL HGx% 1.0 0.0 3.77 1613 1492 A 33 SER HA A 34 VAL HGx% 1.0 0.0 5.11 1614 1493 A 34 VAL HGx% A 76 GLU HA 1.0 0.0 3.63 1615 1494 A 34 VAL HGx% A 76 GLU HGy 1.0 0.0 4.69 1616 1495 A 34 VAL HGx% A 76 GLU HBy 1.0 0.0 4.37 1617 1496 A 24 ILE HD1% A 34 VAL HGx% 1.0 0.0 4.16 1618 1497 A 22 VAL HGx% A 34 VAL HGx% 1.0 0.0 4.61 1619 1498 A 34 VAL HB A 76 GLU HA 1.0 0.0 5.24 1620 1499 A 34 VAL HB A 79 LEU HDy% 1.0 0.0 5.76 1621 1500 A 76 GLU HBx A 35 ASP HA 1.0 0.0 5.85 1622 1501 A 23 THR HB A 35 ASP HBx 1.0 0.0 4.24 1623 1502 A 113 LEU HA A 116 LYS HDx 1.0 0.0 5.40 1624 1503 A 116 LYS HA A 116 LYS HDx 1.0 0.0 5.84 1625 1504 A 113 LEU HD1% A 116 LYS HDx 1.0 0.0 4.97 1626 1504 A 113 LEU HD2% A 116 LYS HDx 1.0 0.0 4.97 1627 1505 A 38 ALA HB% A 68 TRP HD1 1.0 0.0 5.03 1628 1506 A 18 TRP HA A 38 ALA HB% 1.0 0.0 4.60 1629 1507 A 38 ALA HB% A 20 ASP HA 1.0 0.0 3.59 1630 1508 A 38 ALA HB% A 19 LYS HA 1.0 0.0 5.47 1631 1509 A 39 ILE HB A 40 ASN H 1.0 0.0 4.18 1632 1510 A 39 ILE HB A 13 PHE HE% 1.0 0.0 5.13 1633 1511 A 9 GLU HBx A 39 ILE HB 1.0 0.0 5.53 1634 1512 A 39 ILE HB A 19 LYS HBy 1.0 0.0 4.60 1635 1513 A 39 ILE HB A 39 ILE HD1% 1.0 0.0 3.66 1636 1514 A 39 ILE HD1% A 13 PHE HE% 1.0 0.0 4.43 1637 1515 A 39 ILE HD1% A 39 ILE HA 1.0 0.0 4.45 1638 1516 A 19 LYS HA A 39 ILE HD1% 1.0 0.0 5.74 1639 1517 A 9 GLU HBy A 39 ILE HD1% 1.0 0.0 3.81 1640 1518 A 9 GLU HBx A 39 ILE HD1% 1.0 0.0 4.34 1641 1519 A 39 ILE H A 39 ILE HG2% 1.0 0.0 4.36 1642 1520 A 39 ILE HG2% A 13 PHE HE% 1.0 0.0 4.15 1643 1521 A 39 ILE HA A 39 ILE HG2% 1.0 0.0 3.51 1644 1522 A 39 ILE HG2% A 46 ASP HBx 1.0 0.0 5.16 1645 1523 A 103 ALA HB% A 100 ILE HB 1.0 0.0 3.38 1646 1524 A 39 ILE HG1x A 39 ILE HG2% 1.0 0.0 3.14 1647 1525 A 39 ILE HG1y A 13 PHE HE% 1.0 0.0 5.58 1648 1526 A 39 ILE HG1y A 19 LYS HBy 1.0 0.0 4.27 1649 1527 A 39 ILE HG1y A 39 ILE HG2% 1.0 0.0 4.19 1650 1528 A 39 ILE HA A 40 ASN HBy 1.0 0.0 5.50 1651 1529 A 40 ASN HA A 41 LYS HA 1.0 0.0 5.47 1652 1530 A 41 LYS HA A 42 ASP HA 1.0 0.0 6.05 1653 1531 A 41 LYS HA A 41 LYS HE2 1.0 0.0 5.38 1654 1531 A 41 LYS HE3 A 41 LYS HA 1.0 0.0 5.38 1655 1532 A 13 PHE HBx A 41 LYS HA 1.0 0.0 6.30 1656 1533 A 41 LYS HA A 41 LYS HG2 1.0 0.0 4.19 1657 1533 A 41 LYS HG3 A 41 LYS HA 1.0 0.0 4.19 1658 1534 A 41 LYS H A 41 LYS HG2 1.0 0.0 4.91 1659 1534 A 41 LYS HG3 A 41 LYS H 1.0 0.0 4.91 1660 1535 A 41 LYS HE2 A 41 LYS HG2 1.0 0.0 4.04 1661 1535 A 41 LYS HE3 A 41 LYS HG2 1.0 0.0 4.04 1662 1535 A 41 LYS HG3 A 41 LYS HE2 1.0 0.0 4.04 1663 1535 A 41 LYS HG3 A 41 LYS HE3 1.0 0.0 4.04 1664 1536 A 41 LYS HBx A 41 LYS HE2 1.0 0.0 5.07 1665 1536 A 41 LYS HE3 A 41 LYS HBx 1.0 0.0 5.07 1666 1537 A 13 PHE HD% A 41 LYS HBx 1.0 0.0 5.11 1667 1538 A 13 PHE HBx A 41 LYS HBx 1.0 0.0 5.57 1668 1539 A 59 VAL HG1% A 41 LYS HDy 1.0 0.0 4.25 1669 1540 A 41 LYS HBy A 13 PHE HD% 1.0 0.0 5.66 1670 1541 A 41 LYS HBy A 13 PHE HE% 1.0 0.0 6.27 1671 1542 A 41 LYS HBy A 17 GLY HAx 1.0 0.0 5.39 1672 1543 A 41 LYS HBy A 41 LYS HE2 1.0 0.0 5.15 1673 1543 A 41 LYS HBy A 41 LYS HE3 1.0 0.0 5.15 1674 1544 A 41 LYS HBy A 59 VAL HG1% 1.0 0.0 4.07 1675 1545 A 13 PHE HBy A 41 LYS HDx 1.0 0.0 6.12 1676 1546 A 120 ASP H A 120 ASP HBx 1.0 0.0 3.85 1677 1547 A 43 GLY H A 42 ASP HBy 1.0 0.0 4.83 1678 1548 A 45 ASP HBx A 49 THR HB 1.0 0.0 4.84 1679 1549 A 45 ASP HBx A 50 LEU HG 1.0 0.0 4.87 1680 1550 A 45 ASP HBx A 49 THR HG2% 1.0 0.0 4.51 1681 1551 A 45 ASP HBy A 50 LEU HG 1.0 0.0 4.91 1682 1552 A 45 ASP HBy A 49 THR HG2% 1.0 0.0 4.09 1683 1553 A 47 LYS H A 46 ASP HBx 1.0 0.0 4.71 1684 1554 A 46 ASP HBx A 45 ASP HA 1.0 0.0 5.51 1685 1555 A 46 ASP HBx A 49 THR HG2% 1.0 0.0 6.08 1686 1556 A 46 ASP HBy A 39 ILE HG2% 1.0 0.0 5.29 1687 1557 A 46 ASP HA A 47 LYS HA 1.0 0.0 5.52 1688 1558 A 50 LEU HG A 47 LYS HA 1.0 0.0 5.91 1689 1559 A 49 THR HB A 45 ASP HA 1.0 0.0 5.38 1690 1560 A 45 ASP HBy A 49 THR HB 1.0 0.0 4.39 1691 1561 A 49 THR HA A 46 ASP H 1.0 0.0 5.99 1692 1562 A 49 THR HA A 53 ASN HB2 1.0 0.0 5.79 1693 1562 A 53 ASN HB3 A 49 THR HA 1.0 0.0 5.79 1694 1563 A 46 ASP HBx A 49 THR HA 1.0 0.0 6.30 1695 1564 A 49 THR HA A 52 ARG HB2 1.0 0.0 4.28 1696 1564 A 49 THR HA A 52 ARG HB3 1.0 0.0 4.28 1697 1565 A 49 THR HG2% A 49 THR HA 1.0 0.0 3.51 1698 1566 A 49 THR HG2% A 50 LEU HA 1.0 0.0 5.11 1699 1567 A 85 PRO HDy A 86 THR HG2% 1.0 0.0 5.29 1700 1568 A 86 THR HG2% A 115 GLN HGy 1.0 0.0 5.09 1701 1569 A 50 LEU HA A 53 ASN HB2 1.0 0.0 4.45 1702 1569 A 53 ASN HB3 A 50 LEU HA 1.0 0.0 4.45 1703 1570 A 112 ASP HA A 115 GLN HBx 1.0 0.0 4.08 1704 1571 A 50 LEU HG A 50 LEU HA 1.0 0.0 4.48 1705 1572 A 50 LEU HDy% A 50 LEU HA 1.0 0.0 3.33 1706 1573 A 50 LEU HDx% A 50 LEU H 1.0 0.0 4.78 1707 1574 A 18 TRP HZ2 A 50 LEU HDx% 1.0 0.0 3.92 1708 1575 A 50 LEU HDx% A 56 TYR HA 1.0 0.0 4.61 1709 1576 A 50 LEU HDy% A 55 GLY HAy 1.0 0.0 4.27 1710 1577 A 40 ASN HD2x A 50 LEU HDx% 1.0 0.0 5.57 1711 1578 A 50 LEU HDy% A 49 THR HB 1.0 0.0 5.66 1712 1579 A 50 LEU HDy% A 55 GLY HAx 1.0 0.0 4.27 1713 1580 A 50 LEU HDy% A 53 ASN HB2 1.0 0.0 4.17 1714 1580 A 50 LEU HDy% A 53 ASN HB3 1.0 0.0 4.17 1715 1581 A 50 LEU HDx% A 47 LYS HA 1.0 0.0 4.02 1716 1582 A 45 ASP HBy A 50 LEU HDy% 1.0 0.0 3.91 1717 1583 A 45 ASP HBx A 50 LEU HDx% 1.0 0.0 4.19 1718 1584 A 45 ASP HBx A 50 LEU HDy% 1.0 0.0 4.34 1719 1585 A 50 LEU H A 50 LEU HBx 1.0 0.0 4.20 1720 1586 A 47 LYS HA A 50 LEU HBx 1.0 0.0 4.79 1721 1587 A 50 LEU HDx% A 50 LEU HBx 1.0 0.0 3.98 1722 1588 A 50 LEU HG A 46 ASP H 1.0 0.0 4.98 1723 1589 A 79 LEU H A 79 LEU HG 1.0 0.0 5.23 1724 1590 A 24 ILE HD1% A 79 LEU HG 1.0 0.0 4.78 1725 1591 A 114 ALA HB% A 79 LEU HG 1.0 0.0 5.48 1726 1592 A 105 ILE HA A 105 ILE HG2% 1.0 0.0 3.49 1727 1593 A 60 GLU H A 59 VAL HA 1.0 0.0 3.57 1728 1594 A 59 VAL HG1% A 59 VAL HA 1.0 0.0 3.43 1729 1595 A 52 ARG HA A 53 ASN HB2 1.0 0.0 5.93 1730 1595 A 53 ASN HB3 A 52 ARG HA 1.0 0.0 5.93 1731 1596 A 81 GLU H A 82 LYS HG2 1.0 0.0 5.84 1732 1596 A 81 GLU H A 82 LYS HG3 1.0 0.0 5.84 1733 1597 A 91 LYS HEy A 91 LYS HBx 1.0 0.0 4.48 1734 1598 A 79 LEU HDy% A 82 LYS HBx 1.0 0.0 4.22 1735 1599 A 58 MET HA A 59 VAL HG2% 1.0 0.0 5.38 1736 1600 A 58 MET H A 58 MET HGy 1.0 0.0 4.54 1737 1601 A 56 TYR HD% A 58 MET HGy 1.0 0.0 5.90 1738 1602 A 61 TYR HA A 58 MET HE% 1.0 0.0 4.27 1739 1603 A 61 TYR HD% A 58 MET HBy 1.0 0.0 5.80 1740 1604 A 58 MET H A 58 MET HGx 1.0 0.0 4.54 1741 1605 A 56 TYR HD% A 58 MET HGx 1.0 0.0 5.90 1742 1606 A 58 MET HBx A 59 VAL HA 1.0 0.0 6.08 1743 1607 A 80 VAL HGx% A 83 GLN HE2y 1.0 0.0 4.14 1744 1608 A 59 VAL HG1% A 60 GLU H 1.0 0.0 4.38 1745 1609 A 80 VAL HGx% A 80 VAL H 1.0 0.0 4.27 1746 1610 A 80 VAL HGx% A 33 SER HA 1.0 0.0 4.47 1747 1611 A 59 VAL HG1% A 58 MET HA 1.0 0.0 4.11 1748 1612 A 80 VAL HGx% A 80 VAL HA 1.0 0.0 3.44 1749 1613 A 31 ILE HB A 80 VAL HGx% 1.0 0.0 5.05 1750 1614 A 59 VAL HG1% A 41 LYS HDx 1.0 0.0 4.25 1751 1615 A 59 VAL H A 59 VAL HB 1.0 0.0 4.00 1752 1616 A 60 GLU HA A 59 VAL HB 1.0 0.0 5.61 1753 1617 A 60 GLU HA A 61 TYR HA 1.0 0.0 4.96 1754 1618 A 60 GLU HA A 60 GLU HGx 1.0 0.0 4.39 1755 1619 A 61 TYR H A 60 GLU HBx 1.0 0.0 5.35 1756 1620 A 60 GLU HA A 60 GLU HGy 1.0 0.0 4.39 1757 1621 A 60 GLU H A 60 GLU HBy 1.0 0.0 4.19 1758 1622 A 61 TYR H A 60 GLU HBy 1.0 0.0 5.35 1759 1623 A 64 ALA HB% A 66 ALA H 1.0 0.0 4.82 1760 1624 A 65 GLN HE2x A 64 ALA HB% 1.0 0.0 5.13 1761 1625 A 64 ALA HA A 65 GLN HG2 1.0 0.0 6.14 1762 1625 A 64 ALA HA A 65 GLN HG3 1.0 0.0 6.14 1763 1626 A 32 VAL HB A 33 SER H 1.0 0.0 4.58 1764 1627 A 82 LYS H A 81 GLU HB2 1.0 0.0 4.18 1765 1627 A 81 GLU HB3 A 82 LYS H 1.0 0.0 4.18 1766 1628 A 66 ALA H A 65 GLN HBy 1.0 0.0 4.81 1767 1629 A 66 ALA H A 66 ALA HB% 1.0 0.0 3.38 1768 1630 A 66 ALA HB% A 67 GLU HA 1.0 0.0 4.84 1769 1631 A 99 ALA HB% A 97 THR HB 1.0 0.0 4.53 1770 1632 A 99 ALA HB% A 88 ILE HD1% 1.0 0.0 3.92 1771 1633 A 68 TRP HD1 A 68 TRP HA 1.0 0.0 5.04 1772 1634 A 68 TRP HZ3 A 68 TRP HBx 1.0 0.0 5.80 1773 1635 A 72 ALA HB% A 68 TRP HZ3 1.0 0.0 4.08 1774 1636 A 72 ALA HB% A 68 TRP HBx 1.0 0.0 4.80 1775 1637 A 72 ALA HB% A 75 VAL HB 1.0 0.0 4.75 1776 1638 A 72 ALA HA A 68 TRP HZ3 1.0 0.0 4.29 1777 1639 A 72 ALA HA A 75 VAL HB 1.0 0.0 4.22 1778 1640 A 117 ALA HB% A 114 ALA HA 1.0 0.0 3.72 1779 1641 A 72 ALA HA A 75 VAL HGy% 1.0 0.0 4.38 1780 1642 A 72 ALA HA A 75 VAL HGx% 1.0 0.0 5.33 1781 1643 A 73 GLU HA A 77 ALA H 1.0 0.0 5.22 1782 1644 A 73 GLU HA A 73 GLU HGx 1.0 0.0 4.32 1783 1645 A 76 GLU HBy A 73 GLU HA 1.0 0.0 4.36 1784 1646 A 73 GLU H A 73 GLU HGy 1.0 0.0 4.95 1785 1647 A 73 GLU HA A 73 GLU HGy 1.0 0.0 4.32 1786 1648 A 73 GLU H A 73 GLU HGx 1.0 0.0 4.95 1787 1649 A 74 LYS HA A 77 ALA H 1.0 0.0 4.57 1788 1650 A 74 LYS HA A 74 LYS HD2 1.0 0.0 4.19 1789 1650 A 74 LYS HA A 74 LYS HD3 1.0 0.0 4.19 1790 1651 A 100 ILE HG2% A 74 LYS HA 1.0 0.0 4.99 1791 1652 A 75 VAL H A 74 LYS HG2 1.0 0.0 5.20 1792 1652 A 75 VAL H A 74 LYS HG3 1.0 0.0 5.20 1793 1653 A 74 LYS HA A 74 LYS HG2 1.0 0.0 3.98 1794 1653 A 74 LYS HG3 A 74 LYS HA 1.0 0.0 3.98 1795 1654 A 71 GLN HA A 74 LYS HG2 1.0 0.0 4.69 1796 1654 A 71 GLN HA A 74 LYS HG3 1.0 0.0 4.69 1797 1655 A 100 ILE HG2% A 74 LYS HG2 1.0 0.0 4.78 1798 1655 A 74 LYS HG3 A 100 ILE HG2% 1.0 0.0 4.78 1799 1656 A 123 LYS HA A 123 LYS HE2 1.0 0.0 4.80 1800 1656 A 123 LYS HA A 123 LYS HE3 1.0 0.0 4.80 1801 1657 A 119 LYS HG3 A 123 LYS HE2 1.0 0.0 3.94 1802 1657 A 119 LYS HG2 A 123 LYS HE2 1.0 0.0 3.94 1803 1657 A 123 LYS HE3 A 119 LYS HG2 1.0 0.0 3.94 1804 1657 A 119 LYS HG3 A 123 LYS HE3 1.0 0.0 3.94 1805 1658 A 103 ALA HB% A 74 LYS HBx 1.0 0.0 4.91 1806 1659 A 123 LYS HA A 123 LYS HD2 1.0 0.0 4.48 1807 1659 A 123 LYS HD3 A 123 LYS HA 1.0 0.0 4.48 1808 1660 A 117 ALA HB% A 123 LYS HD2 1.0 0.0 5.13 1809 1660 A 117 ALA HB% A 123 LYS HD3 1.0 0.0 5.13 1810 1661 A 75 VAL H A 74 LYS HBy 1.0 0.0 4.67 1811 1662 A 103 ALA HB% A 74 LYS HBy 1.0 0.0 4.91 1812 1663 A 78 TYR HD% A 75 VAL HA 1.0 0.0 5.23 1813 1664 A 78 TYR HBy A 75 VAL HA 1.0 0.0 4.32 1814 1665 A 75 VAL HGx% A 111 PHE HD% 1.0 0.0 4.90 1815 1666 A 75 VAL HGx% A 111 PHE HE% 1.0 0.0 3.72 1816 1667 A 75 VAL HGx% A 68 TRP HZ3 1.0 0.0 4.98 1817 1668 A 75 VAL HGx% A 110 PHE HZ 1.0 0.0 4.89 1818 1669 A 75 VAL HGx% A 90 TYR HE% 1.0 0.0 5.02 1819 1670 A 75 VAL HGx% A 107 VAL HA 1.0 0.0 5.25 1820 1671 A 75 VAL HGx% A 75 VAL HA 1.0 0.0 3.70 1821 1672 A 75 VAL HGx% A 78 TYR HBx 1.0 0.0 4.94 1822 1673 A 75 VAL HGx% A 107 VAL HB 1.0 0.0 4.79 1823 1674 A 75 VAL HGx% A 107 VAL HGy% 1.0 0.0 4.33 1824 1675 A 75 VAL HGx% A 107 VAL HGx% 1.0 0.0 3.70 1825 1676 A 75 VAL HGx% A 79 LEU HDy% 1.0 0.0 5.32 1826 1677 A 75 VAL HGx% A 100 ILE HD1% 1.0 0.0 3.72 1827 1678 A 75 VAL HGx% A 88 ILE HD1% 1.0 0.0 4.91 1828 1679 A 75 VAL HB A 68 TRP HZ3 1.0 0.0 5.31 1829 1680 A 79 LEU H A 76 GLU HA 1.0 0.0 4.97 1830 1681 A 110 PHE HE% A 76 GLU HA 1.0 0.0 5.07 1831 1682 A 34 VAL HGy% A 76 GLU HA 1.0 0.0 5.31 1832 1683 A 80 VAL HGy% A 76 GLU HA 1.0 0.0 5.87 1833 1684 A 34 VAL HGx% A 76 GLU HBx 1.0 0.0 4.95 1834 1685 A 34 VAL HGx% A 76 GLU HGx 1.0 0.0 4.69 1835 1686 A 76 GLU H A 77 ALA HB% 1.0 0.0 5.02 1836 1687 A 77 ALA HB% A 78 TYR HA 1.0 0.0 4.81 1837 1688 A 80 VAL HGy% A 77 ALA HB% 1.0 0.0 4.58 1838 1689 A 100 ILE HG2% A 77 ALA HB% 1.0 0.0 4.71 1839 1690 A 80 VAL H A 77 ALA HA 1.0 0.0 4.12 1840 1691 A 80 VAL HB A 77 ALA HA 1.0 0.0 3.76 1841 1692 A 80 VAL HGy% A 77 ALA HA 1.0 0.0 3.76 1842 1693 A 82 LYS H A 78 TYR HA 1.0 0.0 5.06 1843 1694 A 81 GLU H A 78 TYR HA 1.0 0.0 4.55 1844 1695 A 81 GLU HGx A 78 TYR HA 1.0 0.0 3.80 1845 1696 A 75 VAL HA A 78 TYR HBx 1.0 0.0 4.63 1846 1697 A 78 TYR HD% A 79 LEU HA 1.0 0.0 5.21 1847 1698 A 79 LEU HA A 111 PHE HE% 1.0 0.0 5.39 1848 1699 A 79 LEU HA A 83 GLN HA 1.0 0.0 6.09 1849 1700 A 34 VAL HGx% A 79 LEU HDx% 1.0 0.0 3.85 1850 1701 A 79 LEU HDy% A 79 LEU HBx 1.0 0.0 3.91 1851 1702 A 79 LEU HDy% A 82 LYS H 1.0 0.0 4.37 1852 1703 A 79 LEU HDy% A 111 PHE HE% 1.0 0.0 3.96 1853 1704 A 79 LEU HDy% A 85 PRO HA 1.0 0.0 3.41 1854 1705 A 79 LEU HDy% A 79 LEU HA 1.0 0.0 3.10 1855 1706 A 79 LEU HDy% A 85 PRO HDy 1.0 0.0 4.78 1856 1707 A 79 LEU HDy% A 85 PRO HDx 1.0 0.0 3.75 1857 1708 A 79 LEU HDy% A 79 LEU HBy 1.0 0.0 3.91 1858 1709 A 79 LEU HDy% A 85 PRO HBx 1.0 0.0 3.54 1859 1710 A 79 LEU HDy% A 114 ALA HB% 1.0 0.0 5.23 1860 1711 A 31 ILE HD1% A 79 LEU HDy% 1.0 0.0 3.44 1861 1712 A 106 LYS H A 105 ILE HB 1.0 0.0 4.35 1862 1713 A 31 ILE HB A 80 VAL HA 1.0 0.0 4.81 1863 1714 A 81 GLU H A 80 VAL HGx% 1.0 0.0 4.42 1864 1715 A 77 ALA HB% A 80 VAL HB 1.0 0.0 5.01 1865 1716 A 112 ASP HBy A 109 LYS HA 1.0 0.0 3.86 1866 1717 A 81 GLU HGy A 81 GLU HA 1.0 0.0 4.04 1867 1718 A 109 LYS HGx A 109 LYS HA 1.0 0.0 4.15 1868 1719 A 119 LYS HA A 119 LYS HG2 1.0 0.0 3.92 1869 1719 A 119 LYS HG3 A 119 LYS HA 1.0 0.0 3.92 1870 1720 A 80 VAL HGx% A 81 GLU HA 1.0 0.0 4.60 1871 1721 A 77 ALA HB% A 81 GLU HB2 1.0 0.0 5.25 1872 1721 A 81 GLU HB3 A 77 ALA HB% 1.0 0.0 5.25 1873 1722 A 81 GLU HGy A 82 LYS HA 1.0 0.0 4.35 1874 1723 A 81 GLU HGy A 82 LYS HG2 1.0 0.0 4.99 1875 1723 A 81 GLU HGy A 82 LYS HG3 1.0 0.0 4.99 1876 1724 A 81 GLU HGx A 81 GLU HA 1.0 0.0 4.16 1877 1725 A 25 GLU HGx A 27 LYS HBy 1.0 0.0 5.59 1878 1726 A 109 LYS HBx A 110 PHE HBy 1.0 0.0 5.94 1879 1727 A 81 GLU HGx A 82 LYS HG2 1.0 0.0 4.58 1880 1727 A 81 GLU HGx A 82 LYS HG3 1.0 0.0 4.58 1881 1728 A 82 LYS HA A 81 GLU HB2 1.0 0.0 4.78 1882 1728 A 81 GLU HB3 A 82 LYS HA 1.0 0.0 4.78 1883 1729 A 82 LYS HA A 82 LYS HG2 1.0 0.0 3.57 1884 1729 A 82 LYS HG3 A 82 LYS HA 1.0 0.0 3.57 1885 1730 A 32 VAL HB A 27 LYS HD2 1.0 0.0 5.37 1886 1730 A 27 LYS HD3 A 32 VAL HB 1.0 0.0 5.37 1887 1731 A 81 GLU HGy A 82 LYS HD2 1.0 0.0 5.80 1888 1731 A 81 GLU HGy A 82 LYS HD3 1.0 0.0 5.80 1889 1732 A 80 VAL HA A 83 GLN HA 1.0 0.0 5.32 1890 1733 A 31 ILE HB A 83 GLN HA 1.0 0.0 4.92 1891 1734 A 79 LEU HDy% A 83 GLN HA 1.0 0.0 4.86 1892 1735 A 31 ILE HD1% A 83 GLN HA 1.0 0.0 4.13 1893 1736 A 85 PRO HDy A 84 ASP HA 1.0 0.0 3.60 1894 1737 A 84 ASP HA A 85 PRO HDx 1.0 0.0 3.74 1895 1738 A 111 PHE HD% A 85 PRO HA 1.0 0.0 3.96 1896 1739 A 115 GLN HGx A 85 PRO HBx 1.0 0.0 5.16 1897 1740 A 86 THR HG2% A 85 PRO HBx 1.0 0.0 5.87 1898 1741 A 86 THR HG2% A 85 PRO HGy 1.0 0.0 5.11 1899 1742 A 79 LEU HDy% A 85 PRO HGy 1.0 0.0 5.25 1900 1743 A 31 ILE HD1% A 85 PRO HDy 1.0 0.0 4.73 1901 1744 A 79 LEU HDy% A 85 PRO HBy 1.0 0.0 4.46 1902 1745 A 86 THR HG2% A 85 PRO HGx 1.0 0.0 5.11 1903 1746 A 79 LEU HDy% A 85 PRO HGx 1.0 0.0 5.25 1904 1747 A 85 PRO HDx A 86 THR HG2% 1.0 0.0 5.74 1905 1748 A 85 PRO HDy A 86 THR HB 1.0 0.0 5.27 1906 1749 A 86 THR HG2% A 86 THR HA 1.0 0.0 3.54 1907 1750 A 104 THR H A 104 THR HG2% 1.0 0.0 4.30 1908 1751 A 104 THR HG2% A 104 THR HA 1.0 0.0 3.36 1909 1752 A 115 GLN HGx A 86 THR HG2% 1.0 0.0 3.73 1910 1753 A 86 THR H A 87 ASP HBx 1.0 0.0 5.64 1911 1754 A 88 ILE HB A 111 PHE HD% 1.0 0.0 5.53 1912 1755 A 111 PHE HE% A 88 ILE HB 1.0 0.0 5.06 1913 1756 A 87 ASP HA A 88 ILE HA 1.0 0.0 5.10 1914 1757 A 88 ILE HA A 89 LYS HBy 1.0 0.0 5.32 1915 1758 A 99 ALA H A 88 ILE HD1% 1.0 0.0 5.29 1916 1759 A 88 ILE HD1% A 111 PHE HD% 1.0 0.0 5.21 1917 1760 A 78 TYR HD% A 88 ILE HD1% 1.0 0.0 4.08 1918 1761 A 111 PHE HE% A 88 ILE HD1% 1.0 0.0 4.38 1919 1762 A 88 ILE HD1% A 78 TYR HE% 1.0 0.0 3.71 1920 1763 A 88 ILE HD1% A 97 THR HA 1.0 0.0 5.53 1921 1764 A 89 LYS HA A 88 ILE HD1% 1.0 0.0 5.25 1922 1765 A 88 ILE HD1% A 88 ILE HA 1.0 0.0 3.41 1923 1766 A 88 ILE HD1% A 97 THR HB 1.0 0.0 4.35 1924 1767 A 88 ILE HD1% A 97 THR HG2% 1.0 0.0 3.28 1925 1768 A 88 ILE HB A 88 ILE HD1% 1.0 0.0 3.49 1926 1769 A 88 ILE HD1% A 100 ILE HD1% 1.0 0.0 3.84 1927 1770 A 88 ILE HG2% A 88 ILE HD1% 1.0 0.0 3.62 1928 1771 A 88 ILE HG2% A 111 PHE HD% 1.0 0.0 3.92 1929 1772 A 111 PHE HE% A 88 ILE HG2% 1.0 0.0 4.48 1930 1773 A 88 ILE HG2% A 90 TYR HD% 1.0 0.0 4.90 1931 1774 A 88 ILE HG2% A 108 LYS HA 1.0 0.0 4.43 1932 1775 A 88 ILE HG2% A 87 ASP HA 1.0 0.0 4.69 1933 1776 A 88 ILE HG2% A 86 THR HA 1.0 0.0 4.42 1934 1777 A 88 ILE HG2% A 89 LYS HA 1.0 0.0 4.67 1935 1778 A 88 ILE HG2% A 88 ILE HA 1.0 0.0 4.24 1936 1779 A 88 ILE HG2% A 111 PHE HBy 1.0 0.0 4.40 1937 1780 A 88 ILE HG2% A 111 PHE HBx 1.0 0.0 4.60 1938 1781 A 88 ILE HG2% A 97 THR HG2% 1.0 0.0 5.51 1939 1782 A 88 ILE HG2% A 107 VAL HGx% 1.0 0.0 4.97 1940 1783 A 97 THR HG2% A 88 ILE HG1x 1.0 0.0 5.24 1941 1784 A 97 THR HG2% A 88 ILE HG1y 1.0 0.0 5.24 1942 1785 A 90 TYR HBx A 108 LYS HG2 1.0 0.0 5.74 1943 1785 A 90 TYR HBx A 108 LYS HG3 1.0 0.0 5.74 1944 1786 A 107 VAL HGx% A 108 LYS HG2 1.0 0.0 5.64 1945 1786 A 108 LYS HG3 A 107 VAL HGx% 1.0 0.0 5.64 1946 1787 A 88 ILE HA A 89 LYS HBx 1.0 0.0 5.32 1947 1788 A 92 ASP H A 91 LYS HG2 1.0 0.0 5.12 1948 1788 A 91 LYS HG3 A 92 ASP H 1.0 0.0 5.12 1949 1789 A 97 THR HA A 91 LYS HG2 1.0 0.0 4.83 1950 1789 A 91 LYS HG3 A 97 THR HA 1.0 0.0 4.83 1951 1790 A 8 ALA HB% A 114 ALA HA 1.0 0.0 4.70 1952 1791 A 22 VAL HB A 8 ALA HB% 1.0 0.0 4.26 1953 1792 A 91 LYS HEy A 91 LYS HBy 1.0 0.0 4.48 1954 1793 A 91 LYS HEy A 91 LYS HG2 1.0 0.0 4.19 1955 1793 A 91 LYS HG3 A 91 LYS HEy 1.0 0.0 4.19 1956 1794 A 91 LYS HEx A 92 ASP HA 1.0 0.0 5.75 1957 1795 A 97 THR HA A 91 LYS HEx 1.0 0.0 6.30 1958 1796 A 96 HIS HBy A 91 LYS HEx 1.0 0.0 5.09 1959 1797 A 91 LYS HDy A 97 THR HA 1.0 0.0 4.75 1960 1798 A 91 LYS HDy A 96 HIS HBx 1.0 0.0 5.75 1961 1799 A 97 THR HA A 91 LYS HDx 1.0 0.0 4.68 1962 1800 A 96 HIS HBy A 91 LYS HDx 1.0 0.0 5.29 1963 1801 A 94 ASP HBx A 106 LYS H 1.0 0.0 5.40 1964 1802 A 94 ASP HBy A 106 LYS H 1.0 0.0 6.30 1965 1803 A 94 ASP HBy A 93 ASN HA 1.0 0.0 5.38 1966 1804 A 90 TYR HBx A 95 GLY HAx 1.0 0.0 5.47 1967 1805 A 95 GLY HAx A 108 LYS HD2 1.0 0.0 6.20 1968 1805 A 95 GLY HAx A 108 LYS HD3 1.0 0.0 6.20 1969 1806 A 95 GLY HAx A 108 LYS HG2 1.0 0.0 4.96 1970 1806 A 108 LYS HG3 A 95 GLY HAx 1.0 0.0 4.96 1971 1807 A 107 VAL HGx% A 95 GLY HAx 1.0 0.0 6.30 1972 1808 A 95 GLY HAy A 108 LYS HBy 1.0 0.0 4.77 1973 1809 A 95 GLY HAy A 108 LYS HD2 1.0 0.0 5.28 1974 1809 A 95 GLY HAy A 108 LYS HD3 1.0 0.0 5.28 1975 1810 A 95 GLY HAy A 108 LYS HBx 1.0 0.0 4.77 1976 1811 A 95 GLY HAy A 107 VAL HGx% 1.0 0.0 5.91 1977 1812 A 96 HIS HBy A 97 THR HA 1.0 0.0 5.26 1978 1813 A 91 LYS HDy A 96 HIS HBy 1.0 0.0 5.15 1979 1814 A 96 HIS HBy A 91 LYS HG2 1.0 0.0 6.09 1980 1814 A 91 LYS HG3 A 96 HIS HBy 1.0 0.0 6.09 1981 1815 A 98 ASP H A 97 THR HG2% 1.0 0.0 4.74 1982 1816 A 97 THR HG2% A 97 THR HA 1.0 0.0 3.99 1983 1817 A 97 THR HG2% A 100 ILE HG1y 1.0 0.0 4.85 1984 1818 A 98 ASP HA A 91 LYS HG2 1.0 0.0 6.26 1985 1818 A 91 LYS HG3 A 98 ASP HA 1.0 0.0 6.26 1986 1819 A 99 ALA H A 98 ASP HBy 1.0 0.0 5.11 1987 1820 A 99 ALA HB% A 97 THR HA 1.0 0.0 5.10 1988 1821 A 100 ILE H A 100 ILE HD1% 1.0 0.0 4.81 1989 1822 A 78 TYR HD% A 100 ILE HD1% 1.0 0.0 3.90 1990 1823 A 111 PHE HE% A 100 ILE HD1% 1.0 0.0 4.26 1991 1824 A 100 ILE HA A 100 ILE HD1% 1.0 0.0 5.06 1992 1825 A 78 TYR HBy A 100 ILE HD1% 1.0 0.0 4.59 1993 1826 A 75 VAL HA A 100 ILE HD1% 1.0 0.0 3.89 1994 1827 A 78 TYR HBx A 100 ILE HD1% 1.0 0.0 4.68 1995 1828 A 100 ILE HB A 100 ILE HD1% 1.0 0.0 3.79 1996 1829 A 97 THR HG2% A 100 ILE HD1% 1.0 0.0 3.55 1997 1830 A 103 ALA HB% A 100 ILE HD1% 1.0 0.0 4.17 1998 1831 A 107 VAL HGx% A 100 ILE HD1% 1.0 0.0 4.53 1999 1832 A 100 ILE HG2% A 100 ILE H 1.0 0.0 4.59 2000 1833 A 100 ILE HG2% A 78 TYR HD% 1.0 0.0 4.51 2001 1834 A 100 ILE HG2% A 103 ALA HA 1.0 0.0 5.17 2002 1835 A 100 ILE HG2% A 78 TYR HA 1.0 0.0 5.44 2003 1836 A 100 ILE HG2% A 100 ILE HA 1.0 0.0 3.58 2004 1837 A 100 ILE HG2% A 101 SER HBy 1.0 0.0 6.30 2005 1838 A 100 ILE HG2% A 101 SER HBx 1.0 0.0 6.30 2006 1839 A 100 ILE HG2% A 78 TYR HBy 1.0 0.0 5.06 2007 1840 A 100 ILE HG2% A 75 VAL HA 1.0 0.0 3.79 2008 1841 A 100 ILE HG2% A 78 TYR HBx 1.0 0.0 4.05 2009 1842 A 100 ILE HG2% A 74 LYS HBy 1.0 0.0 4.04 2010 1843 A 100 ILE HG2% A 74 LYS HBx 1.0 0.0 4.04 2011 1844 A 103 ALA HB% A 100 ILE HG2% 1.0 0.0 3.24 2012 1845 A 100 ILE HG2% A 75 VAL HGx% 1.0 0.0 4.53 2013 1846 A 99 ALA HB% A 100 ILE HG1x 1.0 0.0 5.17 2014 1847 A 97 THR HG2% A 100 ILE HG1x 1.0 0.0 4.85 2015 1848 A 101 SER HA A 103 ALA H 1.0 0.0 4.76 2016 1849 A 102 GLY H A 101 SER HBy 1.0 0.0 5.45 2017 1850 A 102 GLY H A 101 SER HBx 1.0 0.0 5.45 2018 1851 A 102 GLY HAx A 74 LYS HG2 1.0 0.0 5.61 2019 1851 A 74 LYS HG3 A 102 GLY HAx 1.0 0.0 5.61 2020 1852 A 103 ALA HB% A 102 GLY HAx 1.0 0.0 5.58 2021 1853 A 74 LYS HG2 A 102 GLY HAy 1.0 0.0 5.61 2022 1853 A 74 LYS HG3 A 102 GLY HAy 1.0 0.0 5.61 2023 1854 A 103 ALA HB% A 102 GLY HAy 1.0 0.0 5.58 2024 1855 A 103 ALA HB% A 104 THR H 1.0 0.0 4.66 2025 1856 A 39 ILE HD1% A 39 ILE HG2% 1.0 0.0 3.86 2026 1857 A 104 THR H A 103 ALA HA 1.0 0.0 3.69 2027 1858 A 105 ILE H A 103 ALA HA 1.0 0.0 4.46 2028 1859 A 100 ILE HB A 103 ALA HA 1.0 0.0 5.85 2029 1860 A 107 VAL HGy% A 103 ALA HA 1.0 0.0 5.22 2030 1861 A 86 THR HG2% A 85 PRO HBy 1.0 0.0 5.10 2031 1862 A 105 ILE HG2% A 105 ILE H 1.0 0.0 3.79 2032 1863 A 121 ALA HB% A 1 MET HB2 1.0 0.0 3.76 2033 1863 A 121 ALA HB% A 1 MET HB3 1.0 0.0 3.76 2034 1864 A 105 ILE HG2% A 106 LYS HD2 1.0 0.0 5.06 2035 1864 A 105 ILE HG2% A 106 LYS HD3 1.0 0.0 5.06 2036 1865 A 105 ILE HD1% A 105 ILE HG2% 1.0 0.0 3.40 2037 1866 A 106 LYS HA A 107 VAL HA 1.0 0.0 5.35 2038 1867 A 106 LYS HA A 96 HIS HA 1.0 0.0 4.55 2039 1868 A 106 LYS HA A 108 LYS HA 1.0 0.0 6.30 2040 1869 A 106 LYS HA A 105 ILE HG2% 1.0 0.0 5.05 2041 1870 A 105 ILE HD1% A 106 LYS HA 1.0 0.0 4.26 2042 1871 A 116 LYS HB2 A 116 LYS HE2 1.0 0.0 4.40 2043 1871 A 116 LYS HB3 A 116 LYS HE2 1.0 0.0 4.40 2044 1871 A 116 LYS HE3 A 116 LYS HB2 1.0 0.0 4.40 2045 1871 A 116 LYS HE3 A 116 LYS HB3 1.0 0.0 4.40 2046 1872 A 106 LYS HE2 A 106 LYS HG2 1.0 0.0 3.65 2047 1872 A 106 LYS HE3 A 106 LYS HG2 1.0 0.0 3.65 2048 1872 A 106 LYS HG3 A 106 LYS HE2 1.0 0.0 3.65 2049 1872 A 106 LYS HG3 A 106 LYS HE3 1.0 0.0 3.65 2050 1873 A 116 LYS HE2 A 116 LYS HG2 1.0 0.0 3.95 2051 1873 A 116 LYS HE3 A 116 LYS HG2 1.0 0.0 3.95 2052 1873 A 116 LYS HG3 A 116 LYS HE2 1.0 0.0 3.95 2053 1873 A 116 LYS HE3 A 116 LYS HG3 1.0 0.0 3.95 2054 1874 A 8 ALA HB% A 116 LYS HE2 1.0 0.0 4.12 2055 1874 A 8 ALA HB% A 116 LYS HE3 1.0 0.0 4.12 2056 1875 A 113 LEU HD1% A 116 LYS HE2 1.0 0.0 4.28 2057 1875 A 116 LYS HE3 A 113 LEU HD1% 1.0 0.0 4.28 2058 1875 A 116 LYS HE3 A 113 LEU HD2% 1.0 0.0 4.28 2059 1875 A 113 LEU HD2% A 116 LYS HE2 1.0 0.0 4.28 2060 1876 A 116 LYS HB2 A 119 LYS HG2 1.0 0.0 4.81 2061 1876 A 116 LYS HB3 A 119 LYS HG2 1.0 0.0 4.81 2062 1876 A 119 LYS HG3 A 116 LYS HB2 1.0 0.0 4.81 2063 1876 A 116 LYS HB3 A 119 LYS HG3 1.0 0.0 4.81 2064 1877 A 105 ILE HD1% A 106 LYS HBx 1.0 0.0 4.58 2065 1878 A 109 LYS HBy A 109 LYS HE2 1.0 0.0 4.47 2066 1878 A 109 LYS HBy A 109 LYS HE3 1.0 0.0 4.47 2067 1879 A 105 ILE HD1% A 106 LYS HBy 1.0 0.0 4.58 2068 1880 A 107 VAL HGx% A 107 VAL HA 1.0 0.0 3.71 2069 1881 A 107 VAL HGx% A 111 PHE HD% 1.0 0.0 4.20 2070 1882 A 75 VAL HGy% A 107 VAL HGx% 1.0 0.0 3.61 2071 1883 A 107 VAL HGy% A 68 TRP HH2 1.0 0.0 3.98 2072 1884 A 107 VAL HGy% A 107 VAL HA 1.0 0.0 4.21 2073 1885 A 106 LYS HA A 107 VAL HGy% 1.0 0.0 4.37 2074 1886 A 111 PHE HE% A 107 VAL HB 1.0 0.0 4.96 2075 1887 A 75 VAL HGy% A 107 VAL HB 1.0 0.0 5.37 2076 1888 A 109 LYS H A 109 LYS HGy 1.0 0.0 4.88 2077 1889 A 109 LYS HGy A 109 LYS HA 1.0 0.0 4.32 2078 1890 A 109 LYS HGy A 20 ASP HBx 1.0 0.0 5.25 2079 1891 A 113 LEU HG A 109 LYS HGy 1.0 0.0 5.10 2080 1892 A 109 LYS H A 109 LYS HGx 1.0 0.0 4.90 2081 1893 A 109 LYS HGx A 109 LYS HE2 1.0 0.0 4.33 2082 1893 A 109 LYS HGx A 109 LYS HE3 1.0 0.0 4.33 2083 1894 A 109 LYS HGx A 113 LEU HBx 1.0 0.0 5.52 2084 1895 A 109 LYS HBx A 109 LYS HE2 1.0 0.0 4.73 2085 1895 A 109 LYS HBx A 109 LYS HE3 1.0 0.0 4.73 2086 1896 A 113 LEU HBy A 110 PHE HA 1.0 0.0 4.41 2087 1897 A 110 PHE HA A 113 LEU HBx 1.0 0.0 5.12 2088 1898 A 113 LEU HG A 110 PHE HA 1.0 0.0 5.54 2089 1899 A 22 VAL HGx% A 110 PHE HA 1.0 0.0 5.29 2090 1900 A 110 PHE HA A 113 LEU HD1% 1.0 0.0 6.06 2091 1900 A 113 LEU HD2% A 110 PHE HA 1.0 0.0 6.06 2092 1901 A 75 VAL HGx% A 110 PHE HBx 1.0 0.0 5.45 2093 1902 A 107 VAL HGy% A 110 PHE HBy 1.0 0.0 4.99 2094 1903 A 75 VAL HGx% A 110 PHE HBy 1.0 0.0 5.20 2095 1904 A 114 ALA H A 111 PHE HA 1.0 0.0 4.44 2096 1905 A 115 GLN H A 111 PHE HA 1.0 0.0 5.38 2097 1906 A 108 LYS HA A 111 PHE HA 1.0 0.0 6.30 2098 1907 A 79 LEU HDy% A 111 PHE HA 1.0 0.0 5.52 2099 1908 A 108 LYS HA A 111 PHE HBx 1.0 0.0 4.97 2100 1909 A 108 LYS HA A 111 PHE HBy 1.0 0.0 5.17 2101 1910 A 109 LYS HA A 112 ASP HBx 1.0 0.0 4.23 2102 1911 A 113 LEU HBy A 112 ASP HBx 1.0 0.0 5.47 2103 1912 A 109 LYS HBx A 112 ASP HBy 1.0 0.0 5.86 2104 1913 A 112 ASP HBy A 113 LEU HBy 1.0 0.0 6.12 2105 1914 A 117 ALA H A 113 LEU HA 1.0 0.0 4.97 2106 1915 A 116 LYS H A 113 LEU HA 1.0 0.0 4.24 2107 1916 A 109 LYS HA A 113 LEU HA 1.0 0.0 6.30 2108 1917 A 113 LEU HA A 116 LYS HB2 1.0 0.0 3.64 2109 1917 A 116 LYS HB3 A 113 LEU HA 1.0 0.0 3.64 2110 1918 A 22 VAL HB A 113 LEU HA 1.0 0.0 5.26 2111 1919 A 9 GLU HA A 113 LEU HD1% 1.0 0.0 4.15 2112 1919 A 9 GLU HA A 113 LEU HD2% 1.0 0.0 4.15 2113 1920 A 10 ALA HA A 113 LEU HD1% 1.0 0.0 3.57 2114 1920 A 113 LEU HD2% A 10 ALA HA 1.0 0.0 3.57 2115 1921 A 113 LEU HA A 113 LEU HD1% 1.0 0.0 3.16 2116 1921 A 113 LEU HD2% A 113 LEU HA 1.0 0.0 3.16 2117 1922 A 112 ASP HBx A 113 LEU HD1% 1.0 0.0 4.83 2118 1922 A 113 LEU HD2% A 112 ASP HBx 1.0 0.0 4.83 2119 1923 A 113 LEU HBy A 113 LEU HD1% 1.0 0.0 3.15 2120 1923 A 113 LEU HD2% A 113 LEU HBy 1.0 0.0 3.15 2121 1924 A 8 ALA HB% A 113 LEU HD1% 1.0 0.0 3.31 2122 1924 A 8 ALA HB% A 113 LEU HD2% 1.0 0.0 3.31 2123 1925 A 113 LEU HBx A 113 LEU HD1% 1.0 0.0 3.72 2124 1925 A 113 LEU HD2% A 113 LEU HBx 1.0 0.0 3.72 2125 1926 A 22 VAL HB A 113 LEU HBx 1.0 0.0 5.07 2126 1927 A 8 ALA HB% A 113 LEU HBx 1.0 0.0 4.60 2127 1928 A 113 LEU HG A 20 ASP H 1.0 0.0 6.30 2128 1929 A 113 LEU HG A 113 LEU H 1.0 0.0 4.40 2129 1930 A 21 THR HA A 113 LEU HG 1.0 0.0 4.70 2130 1931 A 113 LEU HG A 113 LEU HA 1.0 0.0 4.40 2131 1932 A 113 LEU HG A 116 LYS HE2 1.0 0.0 6.30 2132 1932 A 116 LYS HE3 A 113 LEU HG 1.0 0.0 6.30 2133 1933 A 113 LEU HG A 20 ASP HBy 1.0 0.0 5.01 2134 1934 A 113 LEU HG A 113 LEU HBy 1.0 0.0 2.96 2135 1935 A 8 ALA HB% A 113 LEU HG 1.0 0.0 4.67 2136 1936 A 117 ALA H A 114 ALA HB% 1.0 0.0 5.29 2137 1937 A 113 LEU H A 114 ALA HB% 1.0 0.0 5.03 2138 1938 A 111 PHE HD% A 114 ALA HB% 1.0 0.0 4.96 2139 1939 A 110 PHE HD% A 114 ALA HB% 1.0 0.0 5.22 2140 1940 A 114 ALA HB% A 85 PRO HA 1.0 0.0 5.01 2141 1941 A 114 ALA HB% A 115 GLN HA 1.0 0.0 5.07 2142 1942 A 114 ALA HB% A 111 PHE HA 1.0 0.0 3.39 2143 1943 A 114 ALA HB% A 85 PRO HBy 1.0 0.0 4.06 2144 1944 A 114 ALA HB% A 115 GLN HBx 1.0 0.0 4.87 2145 1945 A 114 ALA HB% A 85 PRO HBx 1.0 0.0 3.87 2146 1946 A 117 ALA HB% A 114 ALA HB% 1.0 0.0 4.36 2147 1947 A 24 ILE HG2% A 114 ALA HB% 1.0 0.0 5.50 2148 1948 A 34 VAL HGy% A 114 ALA HB% 1.0 0.0 5.97 2149 1949 A 114 ALA HB% A 24 ILE HG1x 1.0 0.0 4.65 2150 1950 A 22 VAL HGx% A 114 ALA HB% 1.0 0.0 3.75 2151 1951 A 114 ALA HB% A 113 LEU HD1% 1.0 0.0 5.45 2152 1951 A 113 LEU HD2% A 114 ALA HB% 1.0 0.0 5.45 2153 1952 A 22 VAL HB A 114 ALA HA 1.0 0.0 5.17 2154 1953 A 85 PRO HDy A 115 GLN HA 1.0 0.0 5.78 2155 1954 A 85 PRO HBy A 115 GLN HA 1.0 0.0 4.96 2156 1955 A 115 GLN HGx A 115 GLN HA 1.0 0.0 4.05 2157 1956 A 115 GLN HA A 85 PRO HGy 1.0 0.0 4.40 2158 1957 A 115 GLN HA A 85 PRO HGx 1.0 0.0 4.40 2159 1958 A 86 THR HG2% A 115 GLN HA 1.0 0.0 5.42 2160 1959 A 118 LEU HDx% A 115 GLN HA 1.0 0.0 4.49 2161 1960 A 112 ASP HA A 115 GLN HGy 1.0 0.0 5.18 2162 1961 A 115 GLN HGy A 115 GLN HA 1.0 0.0 4.28 2163 1962 A 115 GLN HGy A 85 PRO HBy 1.0 0.0 4.36 2164 1963 A 115 GLN HGy A 85 PRO HBx 1.0 0.0 4.91 2165 1964 A 114 ALA HB% A 115 GLN HGy 1.0 0.0 4.99 2166 1965 A 86 THR HG2% A 115 GLN HBy 1.0 0.0 5.80 2167 1966 A 115 GLN HGx A 116 LYS H 1.0 0.0 5.37 2168 1967 A 115 GLN HGx A 86 THR HA 1.0 0.0 5.40 2169 1968 A 85 PRO HDy A 115 GLN HGx 1.0 0.0 5.70 2170 1969 A 115 GLN HGx A 112 ASP HA 1.0 0.0 6.30 2171 1970 A 115 GLN HGx A 85 PRO HGy 1.0 0.0 5.03 2172 1971 A 115 GLN HGx A 85 PRO HGx 1.0 0.0 5.03 2173 1972 A 115 GLN HGx A 114 ALA HB% 1.0 0.0 5.53 2174 1973 A 115 GLN HGx A 118 LEU HDx% 1.0 0.0 6.01 2175 1974 A 116 LYS HA A 119 LYS HA 1.0 0.0 5.03 2176 1975 A 116 LYS HA A 116 LYS HE2 1.0 0.0 5.27 2177 1975 A 116 LYS HE3 A 116 LYS HA 1.0 0.0 5.27 2178 1976 A 119 LYS HBy A 116 LYS HA 1.0 0.0 4.46 2179 1977 A 116 LYS HA A 119 LYS HG2 1.0 0.0 4.01 2180 1977 A 119 LYS HG3 A 116 LYS HA 1.0 0.0 4.01 2181 1978 A 113 LEU HA A 116 LYS HDy 1.0 0.0 5.40 2182 1979 A 116 LYS HA A 116 LYS HDy 1.0 0.0 5.84 2183 1980 A 113 LEU HD2% A 116 LYS HDy 1.0 0.0 4.97 2184 1980 A 116 LYS HDy A 113 LEU HD1% 1.0 0.0 4.97 2185 1981 A 117 ALA HB% A 8 ALA H 1.0 0.0 4.55 2186 1982 A 117 ALA HB% A 8 ALA HA 1.0 0.0 4.78 2187 1983 A 117 ALA HB% A 118 LEU HA 1.0 0.0 4.58 2188 1984 A 6 TYR HBy A 117 ALA HB% 1.0 0.0 3.99 2189 1985 A 6 TYR HBx A 117 ALA HB% 1.0 0.0 4.36 2190 1986 A 117 ALA HB% A 118 LEU HG 1.0 0.0 4.41 2191 1987 A 117 ALA HB% A 118 LEU HDx% 1.0 0.0 3.53 2192 1988 A 117 ALA HB% A 22 VAL HGx% 1.0 0.0 4.58 2193 1989 A 117 ALA HA A 119 LYS H 1.0 0.0 5.20 2194 1990 A 117 ALA HA A 118 LEU HA 1.0 0.0 5.05 2195 1991 A 6 TYR HBy A 117 ALA HA 1.0 0.0 5.41 2196 1992 A 117 ALA HA A 123 LYS HE2 1.0 0.0 6.03 2197 1992 A 117 ALA HA A 123 LYS HE3 1.0 0.0 6.03 2198 1993 A 117 ALA HA A 116 LYS HB2 1.0 0.0 5.00 2199 1993 A 117 ALA HA A 116 LYS HB3 1.0 0.0 5.00 2200 1994 A 117 ALA HA A 118 LEU HDx% 1.0 0.0 5.33 2201 1995 A 118 LEU HA A 121 ALA HA 1.0 0.0 4.26 2202 1996 A 118 LEU HDx% A 118 LEU HA 1.0 0.0 4.40 2203 1997 A 118 LEU HDy% A 118 LEU HA 1.0 0.0 3.68 2204 1998 A 85 PRO HDy A 118 LEU HDx% 1.0 0.0 4.77 2205 1999 A 85 PRO HDx A 118 LEU HDx% 1.0 0.0 4.33 2206 2000 A 85 PRO HBy A 118 LEU HDx% 1.0 0.0 5.02 2207 2001 A 1 MET HE% A 118 LEU HDx% 1.0 0.0 4.39 2208 2002 A 118 LEU HDx% A 85 PRO HGy 1.0 0.0 4.30 2209 2003 A 118 LEU HDx% A 85 PRO HGx 1.0 0.0 4.30 2210 2004 A 118 LEU HDx% A 118 LEU HBx 1.0 0.0 4.05 2211 2005 A 118 LEU HDy% A 121 ALA H 1.0 0.0 5.53 2212 2006 A 118 LEU HDy% A 121 ALA HA 1.0 0.0 5.10 2213 2007 A 1 MET HA A 118 LEU HDy% 1.0 0.0 5.09 2214 2008 A 6 TYR HBy A 118 LEU HDy% 1.0 0.0 4.66 2215 2009 A 6 TYR HBx A 118 LEU HDy% 1.0 0.0 4.95 2216 2010 A 1 MET HE% A 118 LEU HDy% 1.0 0.0 4.36 2217 2011 A 118 LEU HDy% A 1 MET HB2 1.0 0.0 5.11 2218 2011 A 118 LEU HDy% A 1 MET HB3 1.0 0.0 5.11 2219 2012 A 117 ALA HB% A 118 LEU HDy% 1.0 0.0 4.38 2220 2013 A 26 VAL HGy% A 118 LEU HDy% 1.0 0.0 3.57 2221 2014 A 118 LEU HDx% A 118 LEU HBy 1.0 0.0 4.05 2222 2015 A 26 VAL HGy% A 118 LEU HG 1.0 0.0 5.01 2223 2016 A 118 LEU HDx% A 119 LYS HBx 1.0 0.0 6.30 2224 2017 A 117 ALA HA A 119 LYS HD2 1.0 0.0 6.30 2225 2017 A 117 ALA HA A 119 LYS HD3 1.0 0.0 6.30 2226 2018 A 119 LYS HD2 A 123 LYS HD2 1.0 0.0 3.93 2227 2018 A 119 LYS HD3 A 123 LYS HD2 1.0 0.0 3.93 2228 2018 A 123 LYS HD3 A 119 LYS HD2 1.0 0.0 3.93 2229 2018 A 123 LYS HD3 A 119 LYS HD3 1.0 0.0 3.93 2230 2019 A 121 ALA HB% A 120 ASP H 1.0 0.0 4.84 2231 2020 A 121 ALA HB% A 6 TYR HD% 1.0 0.0 4.97 2232 2021 A 121 ALA HB% A 120 ASP HA 1.0 0.0 4.58 2233 2022 A 1 MET HA A 121 ALA HB% 1.0 0.0 4.42 2234 2023 A 121 ALA HB% A 118 LEU HA 1.0 0.0 4.08 2235 2024 A 121 ALA HB% A 1 MET HGy 1.0 0.0 4.55 2236 2025 A 121 ALA HB% A 1 MET HE% 1.0 0.0 4.77 2237 2026 A 121 ALA HB% A 118 LEU HDy% 1.0 0.0 4.06 2238 2027 A 2 LYS H A 121 ALA HA 1.0 0.0 5.11 2239 2028 A 122 GLU H A 122 GLU HGx 1.0 0.0 4.53 2240 2029 A 12 ASP HA A 11 ASP HA 1.0 0.0 5.05 2241 2030 A 123 LYS HA A 123 LYS HGy 1.0 0.0 4.46 2242 2031 A 23 THR HB A 36 TRP HA 1.0 0.0 5.03 2243 2032 A 79 LEU HDy% A 82 LYS HG2 1.0 0.0 4.59 2244 2032 A 79 LEU HDy% A 82 LYS HG3 1.0 0.0 4.59 2245 2033 A 20 ASP H A 19 LYS HBx 1.0 0.0 5.65 2246 2034 A 99 ALA HB% A 100 ILE HG1y 1.0 0.0 5.17 2247 2035 A 1 MET HA A 122 GLU H 1.0 0.0 6.30 2248 2036 A 29 GLY H A 1 MET HB2 1.0 0.0 6.30 2249 2036 A 29 GLY H A 1 MET HB3 1.0 0.0 6.30 2250 2037 A 6 TYR HE% A 1 MET HB2 1.0 0.0 6.30 2251 2037 A 6 TYR HE% A 1 MET HB3 1.0 0.0 6.30 2252 2038 A 3 ASP HB2 A 4 GLY HAy 1.0 0.0 5.88 2253 2038 A 3 ASP HB3 A 4 GLY HAy 1.0 0.0 5.88 2254 2039 A 4 GLY HAx A 3 ASP HB2 1.0 0.0 5.88 2255 2039 A 3 ASP HB3 A 4 GLY HAx 1.0 0.0 5.88 2256 2040 A 7 TYR HA A 22 VAL HGx% 1.0 0.0 6.01 2257 2041 A 9 GLU HA A 21 THR H 1.0 0.0 5.68 2258 2042 A 9 GLU HA A 20 ASP HBx 1.0 0.0 6.30 2259 2043 A 9 GLU HA A 20 ASP HBy 1.0 0.0 6.30 2260 2044 A 18 TRP H A 16 SER HBy 1.0 0.0 6.30 2261 2045 A 16 SER H A 17 GLY HAx 1.0 0.0 6.03 2262 2046 A 21 THR HG2% A 9 GLU HGx 1.0 0.0 4.62 2263 2047 A 21 THR HG2% A 39 ILE HG1y 1.0 0.0 3.85 2264 2048 A 22 VAL HB A 110 PHE HE% 1.0 0.0 6.30 2265 2049 A 22 VAL HB A 110 PHE HD% 1.0 0.0 5.61 2266 2050 A 22 VAL HGy% A 110 PHE HZ 1.0 0.0 6.04 2267 2051 A 22 VAL HGy% A 113 LEU HA 1.0 0.0 5.76 2268 2052 A 23 THR HA A 35 ASP H 1.0 0.0 6.04 2269 2053 A 23 THR HA A 7 TYR HBx 1.0 0.0 5.57 2270 2054 A 23 THR HA A 7 TYR HBy 1.0 0.0 5.46 2271 2055 A 25 GLU HA A 24 ILE HB 1.0 0.0 6.30 2272 2056 A 24 ILE HD1% A 110 PHE HE% 1.0 0.0 5.96 2273 2057 A 24 ILE HD1% A 110 PHE HZ 1.0 0.0 6.30 2274 2058 A 24 ILE HG1y A 114 ALA HA 1.0 0.0 5.74 2275 2059 A 114 ALA HA A 24 ILE HG1x 1.0 0.0 6.06 2276 2060 A 24 ILE H A 24 ILE HG1x 1.0 0.0 5.13 2277 2061 A 121 ALA HA A 1 MET HB2 1.0 0.0 6.16 2278 2061 A 1 MET HB3 A 121 ALA HA 1.0 0.0 6.16 2279 2062 A 1 MET HA A 121 ALA HA 1.0 0.0 5.61 2280 2063 A 121 ALA HB% A 2 LYS HE2 1.0 0.0 6.30 2281 2063 A 121 ALA HB% A 2 LYS HE3 1.0 0.0 6.30 2282 2064 A 121 ALA HB% A 6 TYR HBy 1.0 0.0 6.30 2283 2065 A 6 TYR HBy A 118 LEU HA 1.0 0.0 5.72 2284 2066 A 24 ILE HB A 118 LEU HDy% 1.0 0.0 4.28 2285 2067 A 114 ALA HA A 118 LEU HG 1.0 0.0 6.30 2286 2068 A 118 LEU HG A 115 GLN HA 1.0 0.0 6.14 2287 2069 A 6 TYR HA A 117 ALA HB% 1.0 0.0 5.66 2288 2070 A 6 TYR HD% A 117 ALA HA 1.0 0.0 5.70 2289 2071 A 117 ALA HA A 118 LEU HG 1.0 0.0 5.78 2290 2072 A 117 ALA HA A 119 LYS HG2 1.0 0.0 6.02 2291 2072 A 117 ALA HA A 119 LYS HG3 1.0 0.0 6.02 2292 2073 A 111 PHE HA A 115 GLN HGy 1.0 0.0 6.07 2293 2074 A 115 GLN HGx A 114 ALA H 1.0 0.0 6.30 2294 2075 A 111 PHE HE% A 114 ALA HB% 1.0 0.0 6.30 2295 2076 A 22 VAL HB A 113 LEU HG 1.0 0.0 5.38 2296 2077 A 21 THR HA A 113 LEU HD1% 1.0 0.0 5.45 2297 2077 A 21 THR HA A 113 LEU HD2% 1.0 0.0 5.45 2298 2078 A 112 ASP HBy A 113 LEU HD1% 1.0 0.0 5.90 2299 2078 A 113 LEU HD2% A 112 ASP HBy 1.0 0.0 5.90 2300 2079 A 113 LEU HBx A 116 LYS HE2 1.0 0.0 6.30 2301 2079 A 116 LYS HE3 A 113 LEU HBx 1.0 0.0 6.30 2302 2080 A 112 ASP HBy A 113 LEU HBx 1.0 0.0 6.30 2303 2081 A 110 PHE H A 111 PHE HA 1.0 0.0 6.13 2304 2082 A 111 PHE HA A 85 PRO HA 1.0 0.0 5.94 2305 2083 A 112 ASP HA A 111 PHE HA 1.0 0.0 6.30 2306 2084 A 111 PHE HA A 85 PRO HBy 1.0 0.0 5.81 2307 2085 A 107 VAL HA A 110 PHE HBx 1.0 0.0 5.93 2308 2086 A 107 VAL HA A 110 PHE HBy 1.0 0.0 5.33 2309 2087 A 68 TRP HD1 A 110 PHE HA 1.0 0.0 6.30 2310 2088 A 110 PHE HBx A 107 VAL HB 1.0 0.0 6.30 2311 2089 A 111 PHE HE% A 107 VAL HGx% 1.0 0.0 4.83 2312 2090 A 107 VAL HGx% A 90 TYR HE% 1.0 0.0 4.44 2313 2091 A 107 VAL HGx% A 110 PHE HE% 1.0 0.0 5.40 2314 2092 A 105 ILE HD1% A 105 ILE H 1.0 0.0 5.48 2315 2093 A 105 ILE HD1% A 108 LYS H 1.0 0.0 6.30 2316 2094 A 104 THR H A 105 ILE HG2% 1.0 0.0 5.25 2317 2095 A 105 ILE H A 104 THR HB 1.0 0.0 5.54 2318 2096 A 78 TYR HBx A 100 ILE HG1x 1.0 0.0 6.26 2319 2097 A 78 TYR HBx A 100 ILE HG1y 1.0 0.0 6.26 2320 2098 A 78 TYR H A 100 ILE HD1% 1.0 0.0 5.57 2321 2099 A 76 GLU H A 100 ILE HD1% 1.0 0.0 6.30 2322 2100 A 75 VAL HB A 100 ILE HD1% 1.0 0.0 5.51 2323 2101 A 75 VAL HGy% A 100 ILE HD1% 1.0 0.0 3.60 2324 2102 A 100 ILE HD1% A 107 VAL HB 1.0 0.0 5.63 2325 2103 A 78 TYR HD% A 100 ILE HB 1.0 0.0 6.08 2326 2104 A 99 ALA HB% A 78 TYR HD% 1.0 0.0 5.46 2327 2105 A 99 ALA HA A 98 ASP HA 1.0 0.0 6.17 2328 2106 A 97 THR HG2% A 100 ILE HB 1.0 0.0 4.05 2329 2107 A 107 VAL H A 95 GLY HAx 1.0 0.0 5.85 2330 2108 A 90 TYR HBx A 95 GLY HAy 1.0 0.0 5.82 2331 2109 A 111 PHE HD% A 88 ILE HG1x 1.0 0.0 5.87 2332 2110 A 26 VAL HGx% A 25 GLU HA 1.0 0.0 5.97 2333 2111 A 24 ILE HA A 25 GLU HBy 1.0 0.0 6.06 2334 2112 A 25 GLU HBy A 34 VAL HA 1.0 0.0 6.30 2335 2113 A 25 GLU HBx A 34 VAL HA 1.0 0.0 5.74 2336 2114 A 26 VAL HGy% A 6 TYR HBy 1.0 0.0 5.97 2337 2115 A 26 VAL HGx% A 3 ASP HB2 1.0 0.0 5.21 2338 2115 A 26 VAL HGx% A 3 ASP HB3 1.0 0.0 5.21 2339 2116 A 31 ILE HD1% A 83 GLN HE2y 1.0 0.0 5.44 2340 2117 A 31 ILE HG2% A 80 VAL H 1.0 0.0 5.82 2341 2118 A 31 ILE HG2% A 25 GLU HGy 1.0 0.0 5.16 2342 2119 A 25 GLU HA A 32 VAL HGy% 1.0 0.0 5.20 2343 2120 A 34 VAL HGx% A 77 ALA HA 1.0 0.0 5.41 2344 2121 A 34 VAL HGx% A 80 VAL HA 1.0 0.0 6.30 2345 2122 A 23 THR H A 34 VAL HGx% 1.0 0.0 5.86 2346 2123 A 34 VAL HGx% A 79 LEU H 1.0 0.0 5.18 2347 2124 A 34 VAL HGx% A 80 VAL H 1.0 0.0 5.26 2348 2125 A 25 GLU H A 34 VAL HGx% 1.0 0.0 5.54 2349 2126 A 34 VAL HGy% A 79 LEU H 1.0 0.0 6.30 2350 2127 A 34 VAL HGy% A 33 SER H 1.0 0.0 6.02 2351 2128 A 23 THR HA A 34 VAL HGy% 1.0 0.0 6.30 2352 2129 A 22 VAL HA A 34 VAL HGy% 1.0 0.0 6.30 2353 2130 A 34 VAL HGy% A 35 ASP HA 1.0 0.0 5.58 2354 2131 A 39 ILE HG1y A 38 ALA HB% 1.0 0.0 5.48 2355 2132 A 38 ALA HB% A 39 ILE HG1x 1.0 0.0 5.28 2356 2133 A 21 THR HG2% A 39 ILE HD1% 1.0 0.0 3.24 2357 2134 A 39 ILE HD1% A 13 PHE HZ 1.0 0.0 4.95 2358 2135 A 39 ILE HG1y A 40 ASN H 1.0 0.0 6.30 2359 2136 A 42 ASP H A 40 ASN HBx 1.0 0.0 5.86 2360 2137 A 39 ILE HG2% A 46 ASP HA 1.0 0.0 5.25 2361 2138 A 51 SER H A 49 THR HA 1.0 0.0 6.18 2362 2139 A 49 THR HG2% A 45 ASP HA 1.0 0.0 5.41 2363 2140 A 56 TYR HA A 50 LEU HBx 1.0 0.0 5.86 2364 2141 A 50 LEU HG A 56 TYR HA 1.0 0.0 5.70 2365 2142 A 50 LEU HG A 53 ASN HB2 1.0 0.0 5.64 2366 2142 A 50 LEU HG A 53 ASN HB3 1.0 0.0 5.64 2367 2143 A 49 THR HG2% A 53 ASN HB2 1.0 0.0 6.17 2368 2143 A 49 THR HG2% A 53 ASN HB3 1.0 0.0 6.17 2369 2144 A 64 ALA HA A 65 GLN HE2y 1.0 0.0 5.80 2370 2145 A 65 GLN H A 66 ALA HA 1.0 0.0 5.38 2371 2146 A 72 ALA HB% A 68 TRP HBy 1.0 0.0 4.33 2372 2147 A 72 ALA HB% A 75 VAL HGy% 1.0 0.0 5.25 2373 2148 A 72 ALA HB% A 73 GLU HA 1.0 0.0 5.37 2374 2149 A 72 ALA HA A 73 GLU HA 1.0 0.0 6.20 2375 2150 A 73 GLU HA A 76 GLU HA 1.0 0.0 6.30 2376 2151 A 75 VAL HA A 78 TYR HA 1.0 0.0 6.13 2377 2152 A 103 ALA HB% A 75 VAL HA 1.0 0.0 6.06 2378 2153 A 75 VAL HA A 107 VAL HGx% 1.0 0.0 6.30 2379 2154 A 100 ILE HG2% A 75 VAL HB 1.0 0.0 5.63 2380 2155 A 80 VAL HGy% A 79 LEU H 1.0 0.0 5.66 2381 2156 A 75 VAL HGy% A 111 PHE HE% 1.0 0.0 5.09 2382 2157 A 75 VAL HGy% A 68 TRP HZ3 1.0 0.0 4.73 2383 2158 A 75 VAL HGy% A 107 VAL HA 1.0 0.0 5.24 2384 2159 A 75 VAL HGy% A 110 PHE HD% 1.0 0.0 5.66 2385 2160 A 75 VAL HGx% A 78 TYR HBy 1.0 0.0 4.59 2386 2161 A 110 PHE HD% A 76 GLU HA 1.0 0.0 6.30 2387 2162 A 75 VAL HGx% A 76 GLU HA 1.0 0.0 5.81 2388 2163 A 34 VAL HGy% A 76 GLU HBy 1.0 0.0 6.21 2389 2164 A 76 GLU HBy A 75 VAL HGy% 1.0 0.0 6.30 2390 2165 A 81 GLU H A 77 ALA HA 1.0 0.0 5.45 2391 2166 A 77 ALA HB% A 79 LEU H 1.0 0.0 4.99 2392 2167 A 77 ALA HB% A 78 TYR HBy 1.0 0.0 5.54 2393 2168 A 81 GLU HGy A 78 TYR HA 1.0 0.0 6.15 2394 2169 A 80 VAL HGy% A 78 TYR HA 1.0 0.0 6.30 2395 2170 A 78 TYR HBy A 100 ILE HB 1.0 0.0 6.30 2396 2171 A 80 VAL H A 79 LEU HDy% 1.0 0.0 5.40 2397 2172 A 80 VAL H A 79 LEU HG 1.0 0.0 5.87 2398 2173 A 80 VAL HA A 81 GLU HA 1.0 0.0 6.00 2399 2174 A 83 GLN HBx A 80 VAL HA 1.0 0.0 6.30 2400 2175 A 80 VAL HA A 83 GLN HGy 1.0 0.0 6.30 2401 2176 A 80 VAL HA A 79 LEU HG 1.0 0.0 6.30 2402 2177 A 31 ILE HD1% A 83 GLN HBy 1.0 0.0 6.09 2403 2178 A 83 GLN HGy A 81 GLU HA 1.0 0.0 6.30 2404 2179 A 83 GLN HGy A 82 LYS HA 1.0 0.0 6.30 2405 2180 A 80 VAL HGx% A 83 GLN HGy 1.0 0.0 6.16 2406 2181 A 85 PRO HBx A 115 GLN HA 1.0 0.0 5.97 2407 2182 A 84 ASP H A 85 PRO HDx 1.0 0.0 6.30 2408 2183 A 115 GLN HGx A 86 THR HB 1.0 0.0 5.62 2409 2184 A 84 ASP H A 87 ASP HBx 1.0 0.0 6.13 2410 2185 A 87 ASP HBx A 88 ILE HA 1.0 0.0 6.30 2411 2186 A 26 VAL H A 6 TYR HE% 1.0 0.0 4.66 2412 2187 A 4 GLY H A 6 TYR HE% 1.0 0.0 4.16 2413 2188 A 7 TYR HE% A 21 THR HA 1.0 0.0 6.28 2414 2189 A 26 VAL HA A 6 TYR HE% 1.0 0.0 6.30 2415 2190 A 6 TYR HE% A 122 GLU HA 1.0 0.0 4.38 2416 2191 A 6 TYR HE% A 121 ALA HA 1.0 0.0 3.84 2417 2192 A 118 LEU HA A 6 TYR HE% 1.0 0.0 5.93 2418 2193 A 26 VAL HB A 6 TYR HE% 1.0 0.0 3.35 2419 2194 A 1 MET HE% A 6 TYR HE% 1.0 0.0 5.81 2420 2195 A 7 TYR HE% A 9 GLU HBy 1.0 0.0 4.49 2421 2196 A 7 TYR HE% A 9 GLU HBx 1.0 0.0 4.77 2422 2197 A 7 TYR HE% A 21 THR HG2% 1.0 0.0 3.99 2423 2198 A 7 TYR HE% A 8 ALA HB% 1.0 0.0 6.03 2424 2199 A 117 ALA HB% A 6 TYR HE% 1.0 0.0 6.30 2425 2200 A 121 ALA HB% A 6 TYR HE% 1.0 0.0 4.03 2426 2201 A 7 TYR HE% A 39 ILE HD1% 1.0 0.0 4.58 2427 2202 A 26 VAL HGy% A 6 TYR HE% 1.0 0.0 3.32 2428 2203 A 26 VAL HGx% A 6 TYR HE% 1.0 0.0 3.86 2429 2204 A 118 LEU HDy% A 6 TYR HE% 1.0 0.0 4.54 2430 2205 A 26 VAL H A 6 TYR HD% 1.0 0.0 4.74 2431 2206 A 5 THR HA A 6 TYR HD% 1.0 0.0 4.34 2432 2207 A 6 TYR HA A 6 TYR HD% 1.0 0.0 3.64 2433 2208 A 6 TYR HD% A 118 LEU HA 1.0 0.0 4.28 2434 2209 A 6 TYR HD% A 24 ILE HB 1.0 0.0 4.42 2435 2210 A 6 TYR HD% A 117 ALA HB% 1.0 0.0 4.57 2436 2211 A 5 THR HG2% A 6 TYR HD% 1.0 0.0 5.45 2437 2212 A 6 TYR HD% A 24 ILE HG2% 1.0 0.0 4.65 2438 2213 A 26 VAL HGy% A 6 TYR HD% 1.0 0.0 3.48 2439 2214 A 26 VAL HGx% A 6 TYR HD% 1.0 0.0 4.90 2440 2215 A 6 TYR HD% A 118 LEU HDx% 1.0 0.0 5.43 2441 2216 A 6 TYR HD% A 118 LEU HDy% 1.0 0.0 4.03 2442 2217 A 7 TYR HD% A 7 TYR HA 1.0 0.0 4.00 2443 2218 A 23 THR HA A 7 TYR HD% 1.0 0.0 4.45 2444 2219 A 6 TYR HA A 7 TYR HD% 1.0 0.0 4.75 2445 2220 A 78 TYR HD% A 78 TYR HA 1.0 0.0 3.82 2446 2221 A 78 TYR HD% A 82 LYS HG2 1.0 0.0 4.19 2447 2221 A 78 TYR HD% A 82 LYS HG3 1.0 0.0 4.19 2448 2222 A 78 TYR HD% A 100 ILE HG1y 1.0 0.0 4.56 2449 2223 A 78 TYR HD% A 100 ILE HG1x 1.0 0.0 4.56 2450 2224 A 19 LYS H A 13 PHE HE% 1.0 0.0 4.84 2451 2225 A 13 PHE H A 13 PHE HE% 1.0 0.0 5.21 2452 2226 A 41 LYS H A 13 PHE HE% 1.0 0.0 5.63 2453 2227 A 18 TRP HA A 13 PHE HE% 1.0 0.0 5.12 2454 2228 A 19 LYS HA A 13 PHE HE% 1.0 0.0 5.31 2455 2229 A 12 ASP HA A 13 PHE HE% 1.0 0.0 6.02 2456 2230 A 40 ASN HA A 13 PHE HE% 1.0 0.0 6.30 2457 2231 A 13 PHE HA A 13 PHE HE% 1.0 0.0 5.23 2458 2232 A 41 LYS HA A 13 PHE HE% 1.0 0.0 3.96 2459 2233 A 19 LYS HBy A 13 PHE HE% 1.0 0.0 4.54 2460 2234 A 13 PHE HE% A 19 LYS HG2 1.0 0.0 5.16 2461 2234 A 19 LYS HG3 A 13 PHE HE% 1.0 0.0 5.16 2462 2235 A 19 LYS HBx A 13 PHE HE% 1.0 0.0 4.44 2463 2236 A 13 PHE HE% A 41 LYS HG2 1.0 0.0 4.69 2464 2236 A 41 LYS HG3 A 13 PHE HE% 1.0 0.0 4.69 2465 2237 A 41 LYS HBx A 13 PHE HE% 1.0 0.0 5.20 2466 2238 A 13 PHE HD% A 18 TRP HA 1.0 0.0 4.41 2467 2239 A 13 PHE HD% A 19 LYS HBx 1.0 0.0 4.12 2468 2240 A 41 LYS HA A 13 PHE HZ 1.0 0.0 4.40 2469 2241 A 39 ILE HG2% A 13 PHE HZ 1.0 0.0 5.20 2470 2242 A 18 TRP H A 18 TRP HD1 1.0 0.0 4.29 2471 2243 A 18 TRP HD1 A 16 SER HA 1.0 0.0 5.00 2472 2244 A 18 TRP HD1 A 16 SER HBy 1.0 0.0 4.09 2473 2245 A 18 TRP HBy A 18 TRP HD1 1.0 0.0 3.89 2474 2246 A 18 TRP HE1 A 56 TYR HE% 1.0 0.0 3.89 2475 2247 A 18 TRP HZ2 A 56 TYR HE% 1.0 0.0 4.15 2476 2248 A 58 MET HA A 56 TYR HE% 1.0 0.0 5.24 2477 2249 A 56 TYR HE% A 58 MET HGy 1.0 0.0 4.28 2478 2250 A 56 TYR HE% A 58 MET HGx 1.0 0.0 4.28 2479 2251 A 58 MET HE% A 56 TYR HE% 1.0 0.0 4.58 2480 2252 A 58 MET HBx A 56 TYR HE% 1.0 0.0 5.95 2481 2253 A 38 ALA HB% A 56 TYR HE% 1.0 0.0 6.09 2482 2254 A 50 LEU HDx% A 56 TYR HE% 1.0 0.0 6.30 2483 2255 A 56 TYR HE% A 47 LYS HEy 1.0 0.0 4.80 2484 2256 A 56 TYR HE% A 47 LYS HEx 1.0 0.0 4.80 2485 2257 A 56 TYR HD% A 18 TRP HZ2 1.0 0.0 4.50 2486 2258 A 56 TYR HD% A 56 TYR HA 1.0 0.0 3.50 2487 2259 A 56 TYR HD% A 51 SER HA 1.0 0.0 4.97 2488 2260 A 56 TYR HD% A 57 LYS HA 1.0 0.0 5.09 2489 2261 A 56 TYR HD% A 51 SER HB2 1.0 0.0 5.65 2490 2261 A 56 TYR HD% A 51 SER HB3 1.0 0.0 5.65 2491 2262 A 56 TYR HD% A 50 LEU HDx% 1.0 0.0 4.13 2492 2263 A 61 TYR HA A 61 TYR HE% 1.0 0.0 4.62 2493 2264 A 58 MET HE% A 61 TYR HE% 1.0 0.0 4.48 2494 2265 A 58 MET HBx A 61 TYR HE% 1.0 0.0 4.98 2495 2266 A 61 TYR HD% A 61 TYR HA 1.0 0.0 3.49 2496 2267 A 61 TYR HD% A 60 GLU HA 1.0 0.0 4.83 2497 2268 A 61 TYR HD% A 58 MET HE% 1.0 0.0 4.44 2498 2269 A 61 TYR HD% A 58 MET HBx 1.0 0.0 4.58 2499 2270 A 113 LEU H A 68 TRP HZ2 1.0 0.0 6.18 2500 2271 A 107 VAL HA A 68 TRP HZ2 1.0 0.0 4.55 2501 2272 A 68 TRP HZ2 A 110 PHE HBy 1.0 0.0 5.26 2502 2273 A 109 LYS HBy A 68 TRP HZ2 1.0 0.0 4.81 2503 2274 A 109 LYS HBx A 68 TRP HZ2 1.0 0.0 4.64 2504 2275 A 105 ILE HG2% A 68 TRP HZ2 1.0 0.0 5.73 2505 2276 A 107 VAL HGx% A 68 TRP HZ2 1.0 0.0 6.17 2506 2277 A 105 ILE HD1% A 68 TRP HZ2 1.0 0.0 4.79 2507 2278 A 68 TRP HZ2 A 110 PHE HBx 1.0 0.0 4.89 2508 2279 A 68 TRP HD1 A 68 TRP H 1.0 0.0 3.84 2509 2280 A 107 VAL HA A 68 TRP HH2 1.0 0.0 3.80 2510 2281 A 68 TRP HH2 A 107 VAL HB 1.0 0.0 5.61 2511 2282 A 105 ILE HG2% A 68 TRP HH2 1.0 0.0 4.30 2512 2283 A 107 VAL HGx% A 68 TRP HH2 1.0 0.0 4.73 2513 2284 A 75 VAL HGy% A 68 TRP HH2 1.0 0.0 5.04 2514 2285 A 105 ILE HD1% A 68 TRP HH2 1.0 0.0 3.97 2515 2286 A 78 TYR HA A 78 TYR HE% 1.0 0.0 4.76 2516 2287 A 88 ILE HA A 78 TYR HE% 1.0 0.0 4.63 2517 2288 A 78 TYR HE% A 82 LYS HD2 1.0 0.0 5.17 2518 2288 A 82 LYS HD3 A 78 TYR HE% 1.0 0.0 5.17 2519 2289 A 99 ALA HB% A 78 TYR HE% 1.0 0.0 3.93 2520 2290 A 100 ILE HD1% A 78 TYR HE% 1.0 0.0 4.61 2521 2291 A 75 VAL HGx% A 78 TYR HE% 1.0 0.0 6.30 2522 2292 A 88 ILE HG2% A 78 TYR HE% 1.0 0.0 6.30 2523 2293 A 78 TYR HD% A 100 ILE HA 1.0 0.0 4.80 2524 2294 A 90 TYR H A 90 TYR HE% 1.0 0.0 5.17 2525 2295 A 107 VAL H A 90 TYR HE% 1.0 0.0 4.91 2526 2296 A 111 PHE HD% A 90 TYR HE% 1.0 0.0 4.30 2527 2297 A 108 LYS H A 90 TYR HE% 1.0 0.0 4.51 2528 2298 A 111 PHE HE% A 90 TYR HE% 1.0 0.0 4.49 2529 2299 A 89 LYS H A 90 TYR HE% 1.0 0.0 5.31 2530 2300 A 108 LYS HA A 90 TYR HE% 1.0 0.0 3.45 2531 2301 A 95 GLY HAy A 90 TYR HE% 1.0 0.0 5.08 2532 2302 A 97 THR HB A 90 TYR HE% 1.0 0.0 5.05 2533 2303 A 95 GLY HAx A 90 TYR HE% 1.0 0.0 4.71 2534 2304 A 90 TYR HE% A 108 LYS HD2 1.0 0.0 5.74 2535 2304 A 90 TYR HE% A 108 LYS HD3 1.0 0.0 5.74 2536 2305 A 97 THR HG2% A 90 TYR HE% 1.0 0.0 3.16 2537 2306 A 88 ILE HD1% A 90 TYR HE% 1.0 0.0 4.68 2538 2307 A 90 TYR HE% A 88 ILE HG1y 1.0 0.0 4.84 2539 2308 A 88 ILE HG2% A 90 TYR HE% 1.0 0.0 3.95 2540 2309 A 90 TYR HE% A 88 ILE HG1x 1.0 0.0 4.84 2541 2310 A 90 TYR H A 90 TYR HD% 1.0 0.0 3.98 2542 2311 A 90 TYR HD% A 92 ASP H 1.0 0.0 6.28 2543 2312 A 90 TYR HD% A 95 GLY H 1.0 0.0 6.30 2544 2313 A 89 LYS H A 90 TYR HD% 1.0 0.0 5.13 2545 2314 A 90 TYR HD% A 90 TYR HA 1.0 0.0 3.74 2546 2315 A 89 LYS HA A 90 TYR HD% 1.0 0.0 4.73 2547 2316 A 90 TYR HD% A 95 GLY HAy 1.0 0.0 4.71 2548 2317 A 97 THR HB A 90 TYR HD% 1.0 0.0 4.16 2549 2318 A 90 TYR HD% A 95 GLY HAx 1.0 0.0 4.24 2550 2319 A 90 TYR HD% A 97 THR HG2% 1.0 0.0 3.86 2551 2320 A 96 HIS HD2 A 105 ILE H 1.0 0.0 4.99 2552 2321 A 96 HIS HD2 A 96 HIS HA 1.0 0.0 4.23 2553 2322 A 96 HIS HD2 A 105 ILE HA 1.0 0.0 5.00 2554 2323 A 106 LYS HA A 96 HIS HD2 1.0 0.0 4.36 2555 2324 A 96 HIS HD2 A 106 LYS HG2 1.0 0.0 6.28 2556 2324 A 96 HIS HD2 A 106 LYS HG3 1.0 0.0 6.28 2557 2325 A 79 LEU H A 110 PHE HE% 1.0 0.0 4.95 2558 2326 A 111 PHE HE% A 110 PHE HE% 1.0 0.0 4.26 2559 2327 A 78 TYR HBy A 110 PHE HE% 1.0 0.0 4.90 2560 2328 A 110 PHE HE% A 79 LEU HBy 1.0 0.0 4.48 2561 2329 A 110 PHE HE% A 79 LEU HBx 1.0 0.0 4.48 2562 2330 A 34 VAL HGy% A 110 PHE HE% 1.0 0.0 4.12 2563 2331 A 79 LEU HDy% A 110 PHE HE% 1.0 0.0 3.63 2564 2332 A 22 VAL HGy% A 110 PHE HE% 1.0 0.0 4.33 2565 2333 A 114 ALA HB% A 110 PHE HE% 1.0 0.0 4.67 2566 2334 A 75 VAL HGx% A 110 PHE HE% 1.0 0.0 3.84 2567 2335 A 110 PHE HD% A 111 PHE HD% 1.0 0.0 4.27 2568 2336 A 111 PHE HE% A 110 PHE HD% 1.0 0.0 4.49 2569 2337 A 68 TRP HZ3 A 110 PHE HD% 1.0 0.0 5.83 2570 2338 A 110 PHE HD% A 111 PHE HA 1.0 0.0 4.36 2571 2339 A 110 PHE HD% A 111 PHE HBx 1.0 0.0 4.59 2572 2340 A 110 PHE HD% A 110 PHE HA 1.0 0.0 3.81 2573 2341 A 107 VAL HGy% A 110 PHE HD% 1.0 0.0 4.68 2574 2342 A 79 LEU HDy% A 110 PHE HD% 1.0 0.0 5.30 2575 2343 A 22 VAL HGy% A 110 PHE HD% 1.0 0.0 3.70 2576 2344 A 22 VAL HGx% A 110 PHE HD% 1.0 0.0 4.42 2577 2345 A 75 VAL HGx% A 110 PHE HD% 1.0 0.0 3.78 2578 2346 A 79 LEU H A 110 PHE HZ 1.0 0.0 5.28 2579 2347 A 110 PHE HZ A 85 PRO HA 1.0 0.0 6.13 2580 2348 A 110 PHE HZ A 76 GLU HA 1.0 0.0 4.39 2581 2349 A 110 PHE HZ A 79 LEU HBy 1.0 0.0 4.80 2582 2350 A 110 PHE HZ A 79 LEU HBx 1.0 0.0 4.80 2583 2351 A 110 PHE HZ A 79 LEU HG 1.0 0.0 5.07 2584 2352 A 34 VAL HGx% A 110 PHE HZ 1.0 0.0 3.71 2585 2353 A 79 LEU HDx% A 110 PHE HZ 1.0 0.0 4.99 2586 2354 A 79 LEU HDy% A 110 PHE HZ 1.0 0.0 3.87 2587 2355 A 114 ALA HB% A 110 PHE HZ 1.0 0.0 4.98 2588 2356 A 111 PHE HE% A 78 TYR HE% 1.0 0.0 4.86 2589 2357 A 111 PHE HE% A 97 THR HG2% 1.0 0.0 4.05 2590 2358 A 87 ASP H A 111 PHE HD% 1.0 0.0 4.61 2591 2359 A 108 LYS HA A 111 PHE HD% 1.0 0.0 4.40 2592 2360 A 111 PHE HD% A 111 PHE HA 1.0 0.0 3.89 2593 2361 A 111 PHE HD% A 107 VAL HB 1.0 0.0 4.41 2594 2362 A 111 PHE HD% A 85 PRO HBy 1.0 0.0 4.71 2595 2363 A 111 PHE HD% A 85 PRO HBx 1.0 0.0 4.94 2596 2364 A 18 TRP HD1 A 56 TYR HE% 1.0 0.0 5.86 2597 2365 A 111 PHE HD% A 88 ILE HG1y 1.0 0.0 5.87 2598 2366 A 75 VAL HA A 111 PHE HE% 1.0 0.0 6.30 2599 2367 A 111 PHE HE% A 111 PHE HA 1.0 0.0 6.30 2600 2368 A 111 PHE HE% A 110 PHE HBy 1.0 0.0 6.03 2601 2369 A 34 VAL HGy% A 110 PHE HD% 1.0 0.0 5.86 2602 2370 A 76 GLU H A 110 PHE HE% 1.0 0.0 5.92 2603 2371 A 34 VAL HB A 110 PHE HZ 1.0 0.0 5.62 2604 2372 A 96 HIS HD2 A 106 LYS H 1.0 0.0 6.28 2605 2373 A 89 LYS HA A 90 TYR HE% 1.0 0.0 5.63 2606 2374 A 111 PHE HBx A 90 TYR HE% 1.0 0.0 5.27 2607 2375 A 18 TRP HZ2 A 40 ASN HD2x 1.0 0.0 5.11 2608 2376 A 18 TRP HZ2 A 50 LEU HBx 1.0 0.0 6.05 2609 2377 A 18 TRP HZ2 A 50 LEU HBy 1.0 0.0 6.05 2610 2378 A 90 TYR HE% A 107 VAL HB 1.0 0.0 5.34 2611 2379 A 88 ILE HB A 78 TYR HE% 1.0 0.0 4.66 2612 2380 A 22 VAL HA A 68 TRP HD1 1.0 0.0 5.78 2613 2381 A 68 TRP HZ2 A 110 PHE HD% 1.0 0.0 5.65 2614 2382 A 68 TRP HH2 A 110 PHE HBx 1.0 0.0 5.86 2615 2383 A 56 TYR HD% A 50 LEU HBy 1.0 0.0 5.51 2616 2384 A 56 TYR HD% A 50 LEU HBx 1.0 0.0 5.51 2617 2385 A 16 SER H A 18 TRP HD1 1.0 0.0 5.83 2618 2386 A 122 GLU H A 6 TYR HE% 1.0 0.0 5.91 2619 2387 A 6 TYR HE% A 123 LYS H 1.0 0.0 5.61 2620 2388 A 6 TYR H A 6 TYR HE% 1.0 0.0 4.97 2621 2389 A 1 MET HA A 1 MET HGx 1.0 0.0 3.70 2622 2389 A 1 MET HA A 1 MET HGy 1.0 0.0 3.70 2623 2390 A 1 MET HA A 2 LYS HGx 1.0 0.0 5.23 2624 2390 A 1 MET HA A 2 LYS HGy 1.0 0.0 5.23 2625 2391 A 1 MET HE% A 1 MET HGx 1.0 0.0 3.68 2626 2391 A 1 MET HE% A 1 MET HGy 1.0 0.0 3.68 2627 2392 A 2 LYS H A 1 MET HGx 1.0 0.0 4.48 2628 2392 A 2 LYS H A 1 MET HGy 1.0 0.0 4.48 2629 2393 A 26 VAL HGx% A 1 MET HGx 1.0 0.0 4.24 2630 2393 A 26 VAL HGx% A 1 MET HGy 1.0 0.0 4.24 2631 2394 A 118 LEU HDy% A 1 MET HGx 1.0 0.0 4.38 2632 2394 A 118 LEU HDy% A 1 MET HGy 1.0 0.0 4.38 2633 2395 A 121 ALA HB% A 1 MET HGx 1.0 0.0 4.00 2634 2395 A 121 ALA HB% A 1 MET HGy 1.0 0.0 4.00 2635 2396 A 1 MET HE% A 31 ILE HG1x 1.0 0.0 3.61 2636 2396 A 1 MET HE% A 31 ILE HG1y 1.0 0.0 3.61 2637 2397 A 2 LYS H A 2 LYS HBx 1.0 0.0 3.04 2638 2397 A 2 LYS H A 2 LYS HBy 1.0 0.0 3.04 2639 2398 A 2 LYS H A 2 LYS HGx 1.0 0.0 4.68 2640 2398 A 2 LYS H A 2 LYS HGy 1.0 0.0 4.68 2641 2399 A 2 LYS HBy A 2 LYS HE2 1.0 0.0 3.73 2642 2399 A 2 LYS HBx A 2 LYS HE2 1.0 0.0 3.73 2643 2399 A 2 LYS HE3 A 2 LYS HBx 1.0 0.0 3.73 2644 2399 A 2 LYS HE3 A 2 LYS HBy 1.0 0.0 3.73 2645 2400 A 3 ASP H A 2 LYS HBx 1.0 0.0 4.05 2646 2400 A 3 ASP H A 2 LYS HBy 1.0 0.0 4.05 2647 2401 A 121 ALA HB% A 2 LYS HBx 1.0 0.0 4.89 2648 2401 A 121 ALA HB% A 2 LYS HBy 1.0 0.0 4.89 2649 2402 A 3 ASP H A 2 LYS HGx 1.0 0.0 4.48 2650 2402 A 3 ASP H A 2 LYS HGy 1.0 0.0 4.48 2651 2403 A 3 ASP H A 2 LYS HDy 1.0 0.0 5.40 2652 2403 A 3 ASP H A 2 LYS HDx 1.0 0.0 5.40 2653 2404 A 3 ASP HA A 4 GLY HAy 1.0 0.0 4.82 2654 2404 A 3 ASP HA A 4 GLY HAx 1.0 0.0 4.82 2655 2405 A 3 ASP HB2 A 4 GLY HAy 1.0 0.0 5.19 2656 2405 A 3 ASP HB3 A 4 GLY HAy 1.0 0.0 5.19 2657 2405 A 4 GLY HAx A 3 ASP HB2 1.0 0.0 5.19 2658 2405 A 3 ASP HB3 A 4 GLY HAx 1.0 0.0 5.19 2659 2406 A 5 THR H A 4 GLY HAy 1.0 0.0 2.88 2660 2406 A 5 THR H A 4 GLY HAx 1.0 0.0 2.88 2661 2407 A 5 THR HA A 4 GLY HAy 1.0 0.0 5.29 2662 2407 A 5 THR HA A 4 GLY HAx 1.0 0.0 5.29 2663 2408 A 5 THR HB A 4 GLY HAy 1.0 0.0 5.59 2664 2408 A 5 THR HB A 4 GLY HAx 1.0 0.0 5.59 2665 2409 A 6 TYR H A 4 GLY HAy 1.0 0.0 6.10 2666 2409 A 6 TYR H A 4 GLY HAx 1.0 0.0 6.10 2667 2410 A 6 TYR HD% A 4 GLY HAy 1.0 0.0 6.10 2668 2410 A 6 TYR HD% A 4 GLY HAx 1.0 0.0 6.10 2669 2411 A 6 TYR HE% A 4 GLY HAy 1.0 0.0 4.44 2670 2411 A 6 TYR HE% A 4 GLY HAx 1.0 0.0 4.44 2671 2412 A 25 GLU HA A 4 GLY HAy 1.0 0.0 6.10 2672 2412 A 25 GLU HA A 4 GLY HAx 1.0 0.0 6.10 2673 2413 A 26 VAL H A 4 GLY HAy 1.0 0.0 5.37 2674 2413 A 26 VAL H A 4 GLY HAx 1.0 0.0 5.37 2675 2414 A 7 TYR HE% A 9 GLU HGy 1.0 0.0 4.73 2676 2414 A 7 TYR HE% A 9 GLU HGx 1.0 0.0 4.73 2677 2415 A 8 ALA HB% A 116 LYS HDx 1.0 0.0 4.75 2678 2415 A 8 ALA HB% A 116 LYS HDy 1.0 0.0 4.75 2679 2416 A 9 GLU H A 9 GLU HGy 1.0 0.0 3.26 2680 2416 A 9 GLU H A 9 GLU HGx 1.0 0.0 3.26 2681 2417 A 9 GLU H A 116 LYS HDx 1.0 0.0 6.10 2682 2417 A 9 GLU H A 116 LYS HDy 1.0 0.0 6.10 2683 2418 A 19 LYS HBy A 9 GLU HGy 1.0 0.0 5.34 2684 2418 A 19 LYS HBy A 9 GLU HGx 1.0 0.0 5.34 2685 2419 A 9 GLU HGx A 19 LYS HD2 1.0 0.0 5.18 2686 2419 A 9 GLU HGy A 19 LYS HD2 1.0 0.0 5.18 2687 2419 A 19 LYS HD3 A 9 GLU HGy 1.0 0.0 5.18 2688 2419 A 19 LYS HD3 A 9 GLU HGx 1.0 0.0 5.18 2689 2420 A 39 ILE HD1% A 9 GLU HGy 1.0 0.0 4.57 2690 2420 A 39 ILE HD1% A 9 GLU HGx 1.0 0.0 4.57 2691 2421 A 10 ALA H A 20 ASP HBx 1.0 0.0 4.43 2692 2421 A 10 ALA H A 20 ASP HBy 1.0 0.0 4.43 2693 2422 A 10 ALA HA A 11 ASP HBx 1.0 0.0 5.19 2694 2422 A 10 ALA HA A 11 ASP HBy 1.0 0.0 5.19 2695 2423 A 10 ALA HA A 109 LYS HDx 1.0 0.0 4.97 2696 2423 A 10 ALA HA A 109 LYS HDy 1.0 0.0 4.97 2697 2424 A 10 ALA HB% A 11 ASP HBx 1.0 0.0 5.25 2698 2424 A 10 ALA HB% A 11 ASP HBy 1.0 0.0 5.25 2699 2425 A 10 ALA HB% A 20 ASP HBx 1.0 0.0 3.79 2700 2425 A 10 ALA HB% A 20 ASP HBy 1.0 0.0 3.79 2701 2426 A 11 ASP H A 11 ASP HBx 1.0 0.0 3.03 2702 2426 A 11 ASP H A 11 ASP HBy 1.0 0.0 3.03 2703 2427 A 11 ASP H A 109 LYS HDx 1.0 0.0 6.02 2704 2427 A 11 ASP H A 109 LYS HDy 1.0 0.0 6.02 2705 2428 A 12 ASP H A 11 ASP HBx 1.0 0.0 3.39 2706 2428 A 12 ASP H A 11 ASP HBy 1.0 0.0 3.39 2707 2429 A 12 ASP H A 12 ASP HBx 1.0 0.0 3.49 2708 2429 A 12 ASP H A 12 ASP HBy 1.0 0.0 3.49 2709 2430 A 13 PHE H A 12 ASP HBx 1.0 0.0 3.39 2710 2430 A 13 PHE H A 12 ASP HBy 1.0 0.0 3.39 2711 2431 A 13 PHE HD% A 12 ASP HBx 1.0 0.0 5.74 2712 2431 A 13 PHE HD% A 12 ASP HBy 1.0 0.0 5.74 2713 2432 A 13 PHE HBy A 17 GLY HAy 1.0 0.0 5.08 2714 2432 A 13 PHE HBy A 17 GLY HAx 1.0 0.0 5.08 2715 2433 A 13 PHE HBy A 41 LYS HDx 1.0 0.0 5.27 2716 2433 A 13 PHE HBy A 41 LYS HDy 1.0 0.0 5.27 2717 2434 A 13 PHE HBx A 17 GLY HAy 1.0 0.0 4.32 2718 2434 A 13 PHE HBx A 17 GLY HAx 1.0 0.0 4.32 2719 2435 A 13 PHE HD% A 17 GLY HAy 1.0 0.0 5.41 2720 2435 A 13 PHE HD% A 17 GLY HAx 1.0 0.0 5.41 2721 2436 A 13 PHE HD% A 41 LYS HDx 1.0 0.0 5.34 2722 2436 A 13 PHE HD% A 41 LYS HDy 1.0 0.0 5.34 2723 2437 A 13 PHE HE% A 41 LYS HDx 1.0 0.0 6.10 2724 2437 A 13 PHE HE% A 41 LYS HDy 1.0 0.0 6.10 2725 2438 A 14 ASP H A 14 ASP HBx 1.0 0.0 3.43 2726 2438 A 14 ASP H A 14 ASP HBy 1.0 0.0 3.43 2727 2439 A 14 ASP H A 17 GLY HAy 1.0 0.0 5.02 2728 2439 A 14 ASP H A 17 GLY HAx 1.0 0.0 5.02 2729 2440 A 14 ASP HA A 15 GLU HBy 1.0 0.0 6.10 2730 2440 A 14 ASP HA A 15 GLU HBx 1.0 0.0 6.10 2731 2441 A 15 GLU H A 14 ASP HBx 1.0 0.0 3.13 2732 2441 A 15 GLU H A 14 ASP HBy 1.0 0.0 3.13 2733 2442 A 14 ASP HBx A 15 GLU HBy 1.0 0.0 5.72 2734 2442 A 14 ASP HBy A 15 GLU HBy 1.0 0.0 5.72 2735 2442 A 15 GLU HBx A 14 ASP HBx 1.0 0.0 5.72 2736 2442 A 14 ASP HBy A 15 GLU HBx 1.0 0.0 5.72 2737 2443 A 14 ASP HBy A 15 GLU HGy 1.0 0.0 5.62 2738 2443 A 14 ASP HBx A 15 GLU HGy 1.0 0.0 5.62 2739 2443 A 15 GLU HGx A 14 ASP HBx 1.0 0.0 5.62 2740 2443 A 14 ASP HBy A 15 GLU HGx 1.0 0.0 5.62 2741 2444 A 16 SER H A 14 ASP HBx 1.0 0.0 4.46 2742 2444 A 16 SER H A 14 ASP HBy 1.0 0.0 4.46 2743 2445 A 17 GLY H A 14 ASP HBx 1.0 0.0 6.00 2744 2445 A 17 GLY H A 14 ASP HBy 1.0 0.0 6.00 2745 2446 A 15 GLU H A 15 GLU HBy 1.0 0.0 3.64 2746 2446 A 15 GLU H A 15 GLU HBx 1.0 0.0 3.64 2747 2447 A 15 GLU H A 15 GLU HGy 1.0 0.0 4.01 2748 2447 A 15 GLU H A 15 GLU HGx 1.0 0.0 4.01 2749 2448 A 15 GLU HA A 15 GLU HGy 1.0 0.0 3.93 2750 2448 A 15 GLU HA A 15 GLU HGx 1.0 0.0 3.93 2751 2449 A 16 SER H A 15 GLU HBy 1.0 0.0 4.37 2752 2449 A 16 SER H A 15 GLU HBx 1.0 0.0 4.37 2753 2450 A 16 SER HA A 15 GLU HBy 1.0 0.0 6.10 2754 2450 A 16 SER HA A 15 GLU HBx 1.0 0.0 6.10 2755 2451 A 16 SER H A 15 GLU HGy 1.0 0.0 4.41 2756 2451 A 16 SER H A 15 GLU HGx 1.0 0.0 4.41 2757 2452 A 16 SER H A 16 SER HBy 1.0 0.0 3.78 2758 2452 A 16 SER H A 16 SER HBx 1.0 0.0 3.78 2759 2453 A 16 SER H A 17 GLY HAy 1.0 0.0 5.22 2760 2453 A 16 SER H A 17 GLY HAx 1.0 0.0 5.22 2761 2454 A 18 TRP HBy A 16 SER HBy 1.0 0.0 5.51 2762 2454 A 18 TRP HBy A 16 SER HBx 1.0 0.0 5.51 2763 2455 A 18 TRP HD1 A 16 SER HBy 1.0 0.0 3.58 2764 2455 A 18 TRP HD1 A 16 SER HBx 1.0 0.0 3.58 2765 2456 A 18 TRP HE1 A 16 SER HBy 1.0 0.0 4.77 2766 2456 A 18 TRP HE1 A 16 SER HBx 1.0 0.0 4.77 2767 2457 A 59 VAL H A 16 SER HBy 1.0 0.0 5.29 2768 2457 A 59 VAL H A 16 SER HBx 1.0 0.0 5.29 2769 2458 A 59 VAL HA A 16 SER HBy 1.0 0.0 5.87 2770 2458 A 59 VAL HA A 16 SER HBx 1.0 0.0 5.87 2771 2459 A 60 GLU H A 16 SER HBy 1.0 0.0 5.16 2772 2459 A 60 GLU H A 16 SER HBx 1.0 0.0 5.16 2773 2460 A 41 LYS H A 17 GLY HAy 1.0 0.0 4.43 2774 2460 A 41 LYS H A 17 GLY HAx 1.0 0.0 4.43 2775 2461 A 17 GLY HAy A 41 LYS HG2 1.0 0.0 6.01 2776 2461 A 17 GLY HAx A 41 LYS HG2 1.0 0.0 6.01 2777 2461 A 41 LYS HG3 A 17 GLY HAy 1.0 0.0 6.01 2778 2461 A 41 LYS HG3 A 17 GLY HAx 1.0 0.0 6.01 2779 2462 A 17 GLY HAx A 41 LYS HDx 1.0 0.0 4.08 2780 2462 A 17 GLY HAy A 41 LYS HDx 1.0 0.0 4.08 2781 2462 A 41 LYS HDy A 17 GLY HAy 1.0 0.0 4.08 2782 2462 A 17 GLY HAx A 41 LYS HDy 1.0 0.0 4.08 2783 2463 A 17 GLY HAy A 41 LYS HE2 1.0 0.0 5.40 2784 2463 A 17 GLY HAx A 41 LYS HE2 1.0 0.0 5.40 2785 2463 A 41 LYS HE3 A 17 GLY HAy 1.0 0.0 5.40 2786 2463 A 41 LYS HE3 A 17 GLY HAx 1.0 0.0 5.40 2787 2464 A 59 VAL HG1% A 17 GLY HAy 1.0 0.0 4.98 2788 2464 A 59 VAL HG1% A 17 GLY HAx 1.0 0.0 4.98 2789 2465 A 59 VAL HG2% A 17 GLY HAy 1.0 0.0 5.17 2790 2465 A 59 VAL HG2% A 17 GLY HAx 1.0 0.0 5.17 2791 2466 A 18 TRP HA A 40 ASN HD2y 1.0 0.0 5.32 2792 2466 A 18 TRP HA A 40 ASN HD2x 1.0 0.0 5.32 2793 2467 A 18 TRP HE1 A 40 ASN HD2y 1.0 0.0 4.76 2794 2467 A 18 TRP HE1 A 40 ASN HD2x 1.0 0.0 4.76 2795 2468 A 40 ASN HD2y A 18 TRP HZ2 1.0 0.0 4.43 2796 2468 A 18 TRP HZ2 A 40 ASN HD2x 1.0 0.0 4.43 2797 2469 A 18 TRP HZ2 A 47 LYS HEx 1.0 0.0 5.31 2798 2469 A 18 TRP HZ2 A 47 LYS HEy 1.0 0.0 5.31 2799 2470 A 18 TRP HZ2 A 50 LEU HBx 1.0 0.0 5.30 2800 2470 A 18 TRP HZ2 A 50 LEU HBy 1.0 0.0 5.30 2801 2471 A 18 TRP HZ2 A 56 TYR HBy 1.0 0.0 5.44 2802 2471 A 18 TRP HZ2 A 56 TYR HBx 1.0 0.0 5.44 2803 2472 A 20 ASP H A 20 ASP HBx 1.0 0.0 3.33 2804 2472 A 20 ASP H A 20 ASP HBy 1.0 0.0 3.33 2805 2473 A 20 ASP H A 109 LYS HDx 1.0 0.0 5.72 2806 2473 A 20 ASP H A 109 LYS HDy 1.0 0.0 5.72 2807 2474 A 21 THR H A 20 ASP HBx 1.0 0.0 3.72 2808 2474 A 21 THR H A 20 ASP HBy 1.0 0.0 3.72 2809 2475 A 22 VAL HGy% A 20 ASP HBx 1.0 0.0 4.86 2810 2475 A 22 VAL HGy% A 20 ASP HBy 1.0 0.0 4.86 2811 2476 A 38 ALA HB% A 20 ASP HBx 1.0 0.0 5.92 2812 2476 A 38 ALA HB% A 20 ASP HBy 1.0 0.0 5.92 2813 2477 A 68 TRP HD1 A 20 ASP HBx 1.0 0.0 4.83 2814 2477 A 68 TRP HD1 A 20 ASP HBy 1.0 0.0 4.83 2815 2478 A 68 TRP HE1 A 20 ASP HBx 1.0 0.0 3.65 2816 2478 A 68 TRP HE1 A 20 ASP HBy 1.0 0.0 3.65 2817 2479 A 68 TRP HZ2 A 20 ASP HBx 1.0 0.0 5.06 2818 2479 A 68 TRP HZ2 A 20 ASP HBy 1.0 0.0 5.06 2819 2480 A 109 LYS HBx A 20 ASP HBx 1.0 0.0 5.63 2820 2480 A 109 LYS HBx A 20 ASP HBy 1.0 0.0 5.63 2821 2481 A 109 LYS HGy A 20 ASP HBx 1.0 0.0 4.56 2822 2481 A 109 LYS HGy A 20 ASP HBy 1.0 0.0 4.56 2823 2482 A 20 ASP HBx A 109 LYS HDx 1.0 0.0 4.68 2824 2482 A 20 ASP HBy A 109 LYS HDx 1.0 0.0 4.68 2825 2482 A 109 LYS HDy A 20 ASP HBx 1.0 0.0 4.68 2826 2482 A 20 ASP HBy A 109 LYS HDy 1.0 0.0 4.68 2827 2483 A 113 LEU HG A 20 ASP HBx 1.0 0.0 4.24 2828 2483 A 113 LEU HG A 20 ASP HBy 1.0 0.0 4.24 2829 2484 A 21 THR H A 37 ASN HBy 1.0 0.0 5.22 2830 2484 A 21 THR H A 37 ASN HBx 1.0 0.0 5.22 2831 2485 A 21 THR HG2% A 37 ASN HBy 1.0 0.0 5.44 2832 2485 A 21 THR HG2% A 37 ASN HBx 1.0 0.0 5.44 2833 2486 A 23 THR H A 35 ASP HBx 1.0 0.0 4.34 2834 2486 A 23 THR H A 35 ASP HBy 1.0 0.0 4.34 2835 2487 A 23 THR H A 36 TRP HBy 1.0 0.0 5.82 2836 2487 A 23 THR H A 36 TRP HBx 1.0 0.0 5.82 2837 2488 A 23 THR HB A 35 ASP HBx 1.0 0.0 3.61 2838 2488 A 23 THR HB A 35 ASP HBy 1.0 0.0 3.61 2839 2489 A 23 THR HG2% A 35 ASP HBx 1.0 0.0 4.03 2840 2489 A 23 THR HG2% A 35 ASP HBy 1.0 0.0 4.03 2841 2490 A 24 ILE H A 35 ASP HBx 1.0 0.0 6.10 2842 2490 A 24 ILE H A 35 ASP HBy 1.0 0.0 6.10 2843 2491 A 24 ILE HG2% A 31 ILE HG1x 1.0 0.0 4.68 2844 2491 A 24 ILE HG2% A 31 ILE HG1y 1.0 0.0 4.68 2845 2492 A 24 ILE HD1% A 79 LEU HBx 1.0 0.0 5.80 2846 2492 A 24 ILE HD1% A 79 LEU HBy 1.0 0.0 5.80 2847 2493 A 25 GLU H A 33 SER HBy 1.0 0.0 4.87 2848 2493 A 25 GLU H A 33 SER HBx 1.0 0.0 4.87 2849 2494 A 25 GLU HA A 33 SER HBy 1.0 0.0 6.10 2850 2494 A 25 GLU HA A 33 SER HBx 1.0 0.0 6.10 2851 2495 A 25 GLU HBy A 33 SER HBy 1.0 0.0 4.06 2852 2495 A 25 GLU HBy A 33 SER HBx 1.0 0.0 4.06 2853 2496 A 25 GLU HBx A 33 SER HBy 1.0 0.0 4.32 2854 2496 A 25 GLU HBx A 33 SER HBx 1.0 0.0 4.32 2855 2497 A 26 VAL HA A 31 ILE HG1x 1.0 0.0 5.92 2856 2497 A 26 VAL HA A 31 ILE HG1y 1.0 0.0 5.92 2857 2498 A 27 LYS H A 30 LYS HGx 1.0 0.0 6.10 2858 2498 A 27 LYS H A 30 LYS HGy 1.0 0.0 6.10 2859 2499 A 28 ASN HBy A 30 LYS HGx 1.0 0.0 5.27 2860 2499 A 28 ASN HBy A 30 LYS HGy 1.0 0.0 5.27 2861 2500 A 31 ILE H A 30 LYS HGx 1.0 0.0 4.74 2862 2500 A 31 ILE H A 30 LYS HGy 1.0 0.0 4.74 2863 2501 A 32 VAL HGx% A 30 LYS HGx 1.0 0.0 4.65 2864 2501 A 32 VAL HGx% A 30 LYS HGy 1.0 0.0 4.65 2865 2502 A 83 GLN HE2x A 31 ILE HG1x 1.0 0.0 5.31 2866 2502 A 83 GLN HE2x A 31 ILE HG1y 1.0 0.0 5.31 2867 2503 A 32 VAL H A 33 SER HBy 1.0 0.0 5.15 2868 2503 A 32 VAL H A 33 SER HBx 1.0 0.0 5.15 2869 2504 A 32 VAL HGx% A 33 SER HBy 1.0 0.0 5.71 2870 2504 A 32 VAL HGx% A 33 SER HBx 1.0 0.0 5.71 2871 2505 A 32 VAL HGy% A 33 SER HBy 1.0 0.0 3.72 2872 2505 A 32 VAL HGy% A 33 SER HBx 1.0 0.0 3.72 2873 2506 A 33 SER H A 33 SER HBy 1.0 0.0 3.58 2874 2506 A 33 SER H A 33 SER HBx 1.0 0.0 3.58 2875 2507 A 34 VAL H A 33 SER HBy 1.0 0.0 3.61 2876 2507 A 34 VAL H A 33 SER HBx 1.0 0.0 3.61 2877 2508 A 34 VAL HA A 33 SER HBy 1.0 0.0 5.30 2878 2508 A 34 VAL HA A 33 SER HBx 1.0 0.0 5.30 2879 2509 A 80 VAL HGx% A 33 SER HBy 1.0 0.0 5.46 2880 2509 A 80 VAL HGx% A 33 SER HBx 1.0 0.0 5.46 2881 2510 A 80 VAL HGy% A 33 SER HBy 1.0 0.0 4.98 2882 2510 A 80 VAL HGy% A 33 SER HBx 1.0 0.0 4.98 2883 2511 A 34 VAL HGx% A 76 GLU HGy 1.0 0.0 4.13 2884 2511 A 34 VAL HGx% A 76 GLU HGx 1.0 0.0 4.13 2885 2512 A 34 VAL HGx% A 79 LEU HBx 1.0 0.0 4.21 2886 2512 A 34 VAL HGx% A 79 LEU HBy 1.0 0.0 4.21 2887 2513 A 34 VAL HGy% A 35 ASP HBx 1.0 0.0 5.65 2888 2513 A 34 VAL HGy% A 35 ASP HBy 1.0 0.0 5.65 2889 2514 A 34 VAL HGy% A 79 LEU HBx 1.0 0.0 4.39 2890 2514 A 34 VAL HGy% A 79 LEU HBy 1.0 0.0 4.39 2891 2515 A 35 ASP H A 35 ASP HBx 1.0 0.0 3.46 2892 2515 A 35 ASP H A 35 ASP HBy 1.0 0.0 3.46 2893 2516 A 37 ASN H A 36 TRP HBy 1.0 0.0 3.39 2894 2516 A 37 ASN H A 36 TRP HBx 1.0 0.0 3.39 2895 2517 A 36 TRP HE1 A 76 GLU HGy 1.0 0.0 5.44 2896 2517 A 36 TRP HE1 A 76 GLU HGx 1.0 0.0 5.44 2897 2518 A 37 ASN HD2x A 37 ASN HBy 1.0 0.0 3.38 2898 2518 A 37 ASN HD2y A 37 ASN HBy 1.0 0.0 3.38 2899 2518 A 37 ASN HD2y A 37 ASN HBx 1.0 0.0 3.38 2900 2518 A 37 ASN HD2x A 37 ASN HBx 1.0 0.0 3.38 2901 2519 A 38 ALA H A 37 ASN HBy 1.0 0.0 4.03 2902 2519 A 38 ALA H A 37 ASN HBx 1.0 0.0 4.03 2903 2520 A 38 ALA H A 37 ASN HD2y 1.0 0.0 6.10 2904 2520 A 38 ALA H A 37 ASN HD2x 1.0 0.0 6.10 2905 2521 A 46 ASP HBx A 37 ASN HD2y 1.0 0.0 5.73 2906 2521 A 46 ASP HBx A 37 ASN HD2x 1.0 0.0 5.73 2907 2522 A 46 ASP HBy A 37 ASN HD2y 1.0 0.0 4.56 2908 2522 A 46 ASP HBy A 37 ASN HD2x 1.0 0.0 4.56 2909 2523 A 48 ASP H A 37 ASN HD2y 1.0 0.0 4.09 2910 2523 A 48 ASP H A 37 ASN HD2x 1.0 0.0 4.09 2911 2524 A 37 ASN HD2y A 48 ASP HBy 1.0 0.0 3.97 2912 2524 A 37 ASN HD2x A 48 ASP HBx 1.0 0.0 3.97 2913 2524 A 37 ASN HD2x A 48 ASP HBy 1.0 0.0 3.97 2914 2524 A 37 ASN HD2y A 48 ASP HBx 1.0 0.0 3.97 2915 2525 A 38 ALA H A 47 LYS HBx 1.0 0.0 3.85 2916 2525 A 38 ALA H A 47 LYS HBy 1.0 0.0 3.85 2917 2526 A 38 ALA HB% A 47 LYS HBx 1.0 0.0 4.14 2918 2526 A 38 ALA HB% A 47 LYS HBy 1.0 0.0 4.14 2919 2527 A 38 ALA HB% A 47 LYS HGx 1.0 0.0 5.04 2920 2527 A 38 ALA HB% A 47 LYS HGy 1.0 0.0 5.04 2921 2528 A 38 ALA HB% A 47 LYS HDy 1.0 0.0 5.40 2922 2528 A 38 ALA HB% A 47 LYS HDx 1.0 0.0 5.40 2923 2529 A 38 ALA HB% A 47 LYS HEx 1.0 0.0 3.89 2924 2529 A 38 ALA HB% A 47 LYS HEy 1.0 0.0 3.89 2925 2530 A 38 ALA HB% A 67 GLU HGy 1.0 0.0 6.10 2926 2530 A 38 ALA HB% A 67 GLU HGx 1.0 0.0 6.10 2927 2531 A 40 ASN HD2y A 40 ASN H 1.0 0.0 5.40 2928 2531 A 40 ASN H A 40 ASN HD2x 1.0 0.0 5.40 2929 2532 A 40 ASN H A 43 GLY HAy 1.0 0.0 6.10 2930 2532 A 40 ASN H A 43 GLY HAx 1.0 0.0 6.10 2931 2533 A 40 ASN HD2y A 40 ASN HA 1.0 0.0 3.99 2932 2533 A 40 ASN HA A 40 ASN HD2x 1.0 0.0 3.99 2933 2534 A 40 ASN HBy A 42 ASP HBx 1.0 0.0 5.45 2934 2534 A 40 ASN HBy A 42 ASP HBy 1.0 0.0 5.45 2935 2535 A 40 ASN HD2y A 41 LYS H 1.0 0.0 5.07 2936 2535 A 40 ASN HD2x A 41 LYS H 1.0 0.0 5.07 2937 2536 A 42 ASP H A 40 ASN HD2y 1.0 0.0 4.58 2938 2536 A 42 ASP H A 40 ASN HD2x 1.0 0.0 4.58 2939 2537 A 40 ASN HD2y A 43 GLY H 1.0 0.0 6.10 2940 2537 A 40 ASN HD2x A 43 GLY H 1.0 0.0 6.10 2941 2538 A 40 ASN HD2x A 50 LEU HDx% 1.0 0.0 4.73 2942 2538 A 40 ASN HD2y A 50 LEU HDx% 1.0 0.0 4.73 2943 2539 A 40 ASN HD2y A 56 TYR HE% 1.0 0.0 5.72 2944 2539 A 40 ASN HD2x A 56 TYR HE% 1.0 0.0 5.72 2945 2540 A 41 LYS H A 41 LYS HDx 1.0 0.0 5.07 2946 2540 A 41 LYS H A 41 LYS HDy 1.0 0.0 5.07 2947 2541 A 41 LYS H A 42 ASP HBx 1.0 0.0 5.75 2948 2541 A 41 LYS H A 42 ASP HBy 1.0 0.0 5.75 2949 2542 A 41 LYS HA A 41 LYS HDx 1.0 0.0 5.13 2950 2542 A 41 LYS HA A 41 LYS HDy 1.0 0.0 5.13 2951 2543 A 41 LYS HBx A 41 LYS HDx 1.0 0.0 3.89 2952 2543 A 41 LYS HBx A 41 LYS HDy 1.0 0.0 3.89 2953 2544 A 41 LYS HBy A 41 LYS HDx 1.0 0.0 3.83 2954 2544 A 41 LYS HBy A 41 LYS HDy 1.0 0.0 3.83 2955 2545 A 59 VAL HG1% A 41 LYS HDx 1.0 0.0 3.60 2956 2545 A 59 VAL HG1% A 41 LYS HDy 1.0 0.0 3.60 2957 2546 A 59 VAL HG2% A 41 LYS HDx 1.0 0.0 4.46 2958 2546 A 59 VAL HG2% A 41 LYS HDy 1.0 0.0 4.46 2959 2547 A 42 ASP H A 42 ASP HBx 1.0 0.0 2.94 2960 2547 A 42 ASP H A 42 ASP HBy 1.0 0.0 2.94 2961 2548 A 42 ASP H A 43 GLY HAy 1.0 0.0 5.38 2962 2548 A 42 ASP H A 43 GLY HAx 1.0 0.0 5.38 2963 2549 A 43 GLY H A 42 ASP HBx 1.0 0.0 4.02 2964 2549 A 43 GLY H A 42 ASP HBy 1.0 0.0 4.02 2965 2550 A 44 GLY H A 42 ASP HBx 1.0 0.0 6.10 2966 2550 A 44 GLY H A 42 ASP HBy 1.0 0.0 6.10 2967 2551 A 59 VAL HG1% A 42 ASP HBx 1.0 0.0 4.19 2968 2551 A 59 VAL HG1% A 42 ASP HBy 1.0 0.0 4.19 2969 2552 A 45 ASP H A 44 GLY HAy 1.0 0.0 2.93 2970 2552 A 45 ASP H A 44 GLY HAx 1.0 0.0 2.93 2971 2553 A 45 ASP HBx A 50 LEU HBx 1.0 0.0 5.50 2972 2553 A 45 ASP HBx A 50 LEU HBy 1.0 0.0 5.50 2973 2554 A 47 LYS H A 47 LYS HBx 1.0 0.0 3.50 2974 2554 A 47 LYS H A 47 LYS HBy 1.0 0.0 3.50 2975 2555 A 47 LYS H A 47 LYS HGx 1.0 0.0 4.50 2976 2555 A 47 LYS H A 47 LYS HGy 1.0 0.0 4.50 2977 2556 A 47 LYS H A 47 LYS HDy 1.0 0.0 5.92 2978 2556 A 47 LYS H A 47 LYS HDx 1.0 0.0 5.92 2979 2557 A 47 LYS H A 47 LYS HEx 1.0 0.0 5.59 2980 2557 A 47 LYS H A 47 LYS HEy 1.0 0.0 5.59 2981 2558 A 47 LYS HA A 47 LYS HDy 1.0 0.0 5.28 2982 2558 A 47 LYS HA A 47 LYS HDx 1.0 0.0 5.28 2983 2559 A 48 ASP H A 47 LYS HBx 1.0 0.0 4.02 2984 2559 A 48 ASP H A 47 LYS HBy 1.0 0.0 4.02 2985 2560 A 48 ASP H A 47 LYS HGx 1.0 0.0 4.77 2986 2560 A 48 ASP H A 47 LYS HGy 1.0 0.0 4.77 2987 2561 A 56 TYR HE% A 47 LYS HGx 1.0 0.0 5.85 2988 2561 A 56 TYR HE% A 47 LYS HGy 1.0 0.0 5.85 2989 2562 A 56 TYR HE% A 47 LYS HDy 1.0 0.0 6.10 2990 2562 A 56 TYR HE% A 47 LYS HDx 1.0 0.0 6.10 2991 2563 A 56 TYR HE% A 47 LYS HEx 1.0 0.0 4.06 2992 2563 A 56 TYR HE% A 47 LYS HEy 1.0 0.0 4.06 2993 2564 A 48 ASP H A 48 ASP HBx 1.0 0.0 3.16 2994 2564 A 48 ASP H A 48 ASP HBy 1.0 0.0 3.16 2995 2565 A 49 THR H A 48 ASP HBx 1.0 0.0 3.93 2996 2565 A 49 THR H A 48 ASP HBy 1.0 0.0 3.93 2997 2566 A 49 THR H A 50 LEU HBx 1.0 0.0 6.10 2998 2566 A 49 THR H A 50 LEU HBy 1.0 0.0 6.10 2999 2567 A 53 ASN HD2y A 50 LEU HA 1.0 0.0 4.76 3000 2567 A 50 LEU HA A 53 ASN HD2x 1.0 0.0 4.76 3001 2568 A 50 LEU HDx% A 50 LEU HBx 1.0 0.0 3.38 3002 2568 A 50 LEU HDx% A 50 LEU HBy 1.0 0.0 3.38 3003 2569 A 50 LEU HBy A 55 GLY HAy 1.0 0.0 5.89 3004 2569 A 50 LEU HBx A 55 GLY HAy 1.0 0.0 5.89 3005 2569 A 55 GLY HAx A 50 LEU HBx 1.0 0.0 5.89 3006 2569 A 50 LEU HBy A 55 GLY HAx 1.0 0.0 5.89 3007 2570 A 56 TYR H A 50 LEU HBx 1.0 0.0 5.91 3008 2570 A 56 TYR H A 50 LEU HBy 1.0 0.0 5.91 3009 2571 A 56 TYR HA A 50 LEU HBx 1.0 0.0 5.13 3010 2571 A 56 TYR HA A 50 LEU HBy 1.0 0.0 5.13 3011 2572 A 50 LEU HBx A 56 TYR HBy 1.0 0.0 4.17 3012 2572 A 50 LEU HBy A 56 TYR HBy 1.0 0.0 4.17 3013 2572 A 56 TYR HBx A 50 LEU HBx 1.0 0.0 4.17 3014 2572 A 50 LEU HBy A 56 TYR HBx 1.0 0.0 4.17 3015 2573 A 56 TYR HD% A 50 LEU HBx 1.0 0.0 4.75 3016 2573 A 56 TYR HD% A 50 LEU HBy 1.0 0.0 4.75 3017 2574 A 50 LEU HDx% A 56 TYR HBy 1.0 0.0 5.12 3018 2574 A 50 LEU HDx% A 56 TYR HBx 1.0 0.0 5.12 3019 2575 A 50 LEU HDy% A 53 ASN HD2y 1.0 0.0 5.19 3020 2575 A 50 LEU HDy% A 53 ASN HD2x 1.0 0.0 5.19 3021 2576 A 50 LEU HDy% A 55 GLY HAy 1.0 0.0 3.75 3022 2576 A 50 LEU HDy% A 55 GLY HAx 1.0 0.0 3.75 3023 2577 A 50 LEU HDy% A 56 TYR HBy 1.0 0.0 5.65 3024 2577 A 50 LEU HDy% A 56 TYR HBx 1.0 0.0 5.65 3025 2578 A 52 ARG HB3 A 53 ASN HD2x 1.0 0.0 4.95 3026 2578 A 53 ASN HD2x A 52 ARG HB2 1.0 0.0 4.95 3027 2578 A 53 ASN HD2y A 52 ARG HB2 1.0 0.0 4.95 3028 2578 A 53 ASN HD2y A 52 ARG HB3 1.0 0.0 4.95 3029 2579 A 53 ASN HD2y A 53 ASN H 1.0 0.0 5.03 3030 2579 A 53 ASN H A 53 ASN HD2x 1.0 0.0 5.03 3031 2580 A 53 ASN H A 54 GLY HAy 1.0 0.0 6.10 3032 2580 A 53 ASN H A 54 GLY HAx 1.0 0.0 6.10 3033 2581 A 53 ASN HD2y A 53 ASN HA 1.0 0.0 4.86 3034 2581 A 53 ASN HD2x A 53 ASN HA 1.0 0.0 4.86 3035 2582 A 53 ASN HD2y A 53 ASN HB2 1.0 0.0 3.30 3036 2582 A 53 ASN HD2x A 53 ASN HB2 1.0 0.0 3.30 3037 2582 A 53 ASN HB3 A 53 ASN HD2y 1.0 0.0 3.30 3038 2582 A 53 ASN HB3 A 53 ASN HD2x 1.0 0.0 3.30 3039 2583 A 54 GLY H A 55 GLY HAy 1.0 0.0 5.50 3040 2583 A 54 GLY H A 55 GLY HAx 1.0 0.0 5.50 3041 2584 A 55 GLY H A 56 TYR HBy 1.0 0.0 5.55 3042 2584 A 55 GLY H A 56 TYR HBx 1.0 0.0 5.55 3043 2585 A 55 GLY HAx A 57 LYS HBx 1.0 0.0 5.28 3044 2585 A 55 GLY HAy A 57 LYS HBx 1.0 0.0 5.28 3045 2585 A 57 LYS HBy A 55 GLY HAy 1.0 0.0 5.28 3046 2585 A 55 GLY HAx A 57 LYS HBy 1.0 0.0 5.28 3047 2586 A 56 TYR HA A 57 LYS HBx 1.0 0.0 5.28 3048 2586 A 56 TYR HA A 57 LYS HBy 1.0 0.0 5.28 3049 2587 A 56 TYR HD% A 58 MET HGx 1.0 0.0 5.06 3050 2587 A 56 TYR HD% A 58 MET HGy 1.0 0.0 5.06 3051 2588 A 57 LYS H A 57 LYS HBx 1.0 0.0 3.49 3052 2588 A 57 LYS H A 57 LYS HBy 1.0 0.0 3.49 3053 2589 A 57 LYS H A 57 LYS HGy 1.0 0.0 4.09 3054 2589 A 57 LYS H A 57 LYS HGx 1.0 0.0 4.09 3055 2590 A 58 MET H A 57 LYS HBx 1.0 0.0 4.11 3056 2590 A 58 MET H A 57 LYS HBy 1.0 0.0 4.11 3057 2591 A 58 MET HA A 58 MET HGx 1.0 0.0 3.93 3058 2591 A 58 MET HA A 58 MET HGy 1.0 0.0 3.93 3059 2592 A 59 VAL H A 58 MET HGx 1.0 0.0 5.03 3060 2592 A 59 VAL H A 58 MET HGy 1.0 0.0 5.03 3061 2593 A 59 VAL HA A 60 GLU HBy 1.0 0.0 6.10 3062 2593 A 59 VAL HA A 60 GLU HBx 1.0 0.0 6.10 3063 2594 A 59 VAL HG2% A 60 GLU HBy 1.0 0.0 5.09 3064 2594 A 59 VAL HG2% A 60 GLU HBx 1.0 0.0 5.09 3065 2595 A 59 VAL HG2% A 60 GLU HGy 1.0 0.0 5.41 3066 2595 A 59 VAL HG2% A 60 GLU HGx 1.0 0.0 5.41 3067 2596 A 60 GLU H A 60 GLU HBy 1.0 0.0 3.65 3068 2596 A 60 GLU H A 60 GLU HBx 1.0 0.0 3.65 3069 2597 A 60 GLU H A 60 GLU HGy 1.0 0.0 4.95 3070 2597 A 60 GLU H A 60 GLU HGx 1.0 0.0 4.95 3071 2598 A 61 TYR H A 60 GLU HBy 1.0 0.0 4.49 3072 2598 A 61 TYR H A 60 GLU HBx 1.0 0.0 4.49 3073 2599 A 62 GLY H A 60 GLU HBy 1.0 0.0 5.33 3074 2599 A 62 GLY H A 60 GLU HBx 1.0 0.0 5.33 3075 2600 A 61 TYR H A 60 GLU HGy 1.0 0.0 4.84 3076 2600 A 61 TYR H A 60 GLU HGx 1.0 0.0 4.84 3077 2601 A 61 TYR H A 61 TYR HBx 1.0 0.0 3.42 3078 2601 A 61 TYR H A 61 TYR HBy 1.0 0.0 3.42 3079 2602 A 64 ALA HB% A 63 GLY HAy 1.0 0.0 4.51 3080 2602 A 64 ALA HB% A 63 GLY HAx 1.0 0.0 4.51 3081 2603 A 65 GLN H A 65 GLN HBx 1.0 0.0 3.31 3082 2603 A 65 GLN H A 65 GLN HBy 1.0 0.0 3.31 3083 2604 A 65 GLN HE2x A 65 GLN HBx 1.0 0.0 4.11 3084 2604 A 65 GLN HE2x A 65 GLN HBy 1.0 0.0 4.11 3085 2605 A 65 GLN HE2y A 65 GLN HBx 1.0 0.0 4.53 3086 2605 A 65 GLN HE2y A 65 GLN HBy 1.0 0.0 4.53 3087 2606 A 66 ALA H A 65 GLN HBx 1.0 0.0 4.19 3088 2606 A 66 ALA H A 65 GLN HBy 1.0 0.0 4.19 3089 2607 A 66 ALA HB% A 65 GLN HBx 1.0 0.0 5.79 3090 2607 A 66 ALA HB% A 65 GLN HBy 1.0 0.0 5.79 3091 2608 A 67 GLU H A 65 GLN HBx 1.0 0.0 5.62 3092 2608 A 67 GLU H A 65 GLN HBy 1.0 0.0 5.62 3093 2609 A 66 ALA HB% A 67 GLU HGy 1.0 0.0 4.38 3094 2609 A 66 ALA HB% A 67 GLU HGx 1.0 0.0 4.38 3095 2610 A 67 GLU H A 67 GLU HGy 1.0 0.0 3.33 3096 2610 A 67 GLU H A 67 GLU HGx 1.0 0.0 3.33 3097 2611 A 67 GLU HA A 67 GLU HGy 1.0 0.0 3.87 3098 2611 A 67 GLU HA A 67 GLU HGx 1.0 0.0 3.87 3099 2612 A 68 TRP HH2 A 105 ILE HG1y 1.0 0.0 6.10 3100 2612 A 68 TRP HH2 A 105 ILE HG1x 1.0 0.0 6.10 3101 2613 A 71 GLN HA A 74 LYS HBx 1.0 0.0 5.31 3102 2613 A 71 GLN HA A 74 LYS HBy 1.0 0.0 5.31 3103 2614 A 72 ALA H A 73 GLU HBy 1.0 0.0 4.91 3104 2614 A 72 ALA H A 73 GLU HBx 1.0 0.0 4.91 3105 2615 A 72 ALA HB% A 73 GLU HGy 1.0 0.0 6.10 3106 2615 A 72 ALA HB% A 73 GLU HGx 1.0 0.0 6.10 3107 2616 A 72 ALA HB% A 76 GLU HGy 1.0 0.0 6.01 3108 2616 A 72 ALA HB% A 76 GLU HGx 1.0 0.0 6.01 3109 2617 A 73 GLU H A 73 GLU HBy 1.0 0.0 3.26 3110 2617 A 73 GLU H A 73 GLU HBx 1.0 0.0 3.26 3111 2618 A 73 GLU H A 73 GLU HGy 1.0 0.0 4.34 3112 2618 A 73 GLU H A 73 GLU HGx 1.0 0.0 4.34 3113 2619 A 73 GLU HA A 73 GLU HGy 1.0 0.0 3.74 3114 2619 A 73 GLU HA A 73 GLU HGx 1.0 0.0 3.74 3115 2620 A 73 GLU HA A 76 GLU HGy 1.0 0.0 4.85 3116 2620 A 73 GLU HA A 76 GLU HGx 1.0 0.0 4.85 3117 2621 A 74 LYS H A 73 GLU HBy 1.0 0.0 4.14 3118 2621 A 74 LYS H A 73 GLU HBx 1.0 0.0 4.14 3119 2622 A 74 LYS H A 73 GLU HGy 1.0 0.0 5.37 3120 2622 A 74 LYS H A 73 GLU HGx 1.0 0.0 5.37 3121 2623 A 73 GLU HGx A 74 LYS HD2 1.0 0.0 5.08 3122 2623 A 73 GLU HGy A 74 LYS HD2 1.0 0.0 5.08 3123 2623 A 74 LYS HD3 A 73 GLU HGy 1.0 0.0 5.08 3124 2623 A 74 LYS HD3 A 73 GLU HGx 1.0 0.0 5.08 3125 2624 A 100 ILE HB A 74 LYS HBx 1.0 0.0 5.22 3126 2624 A 100 ILE HB A 74 LYS HBy 1.0 0.0 5.22 3127 2625 A 100 ILE HG2% A 74 LYS HBx 1.0 0.0 3.52 3128 2625 A 100 ILE HG2% A 74 LYS HBy 1.0 0.0 3.52 3129 2626 A 103 ALA H A 74 LYS HBx 1.0 0.0 5.03 3130 2626 A 103 ALA H A 74 LYS HBy 1.0 0.0 5.03 3131 2627 A 103 ALA HB% A 74 LYS HBx 1.0 0.0 4.32 3132 2627 A 103 ALA HB% A 74 LYS HBy 1.0 0.0 4.32 3133 2628 A 74 LYS HG2 A 102 GLY HAy 1.0 0.0 4.78 3134 2628 A 74 LYS HG3 A 102 GLY HAy 1.0 0.0 4.78 3135 2628 A 102 GLY HAx A 74 LYS HG2 1.0 0.0 4.78 3136 2628 A 74 LYS HG3 A 102 GLY HAx 1.0 0.0 4.78 3137 2629 A 74 LYS HE2 A 102 GLY HAy 1.0 0.0 4.78 3138 2629 A 74 LYS HE3 A 102 GLY HAy 1.0 0.0 4.78 3139 2629 A 102 GLY HAx A 74 LYS HE2 1.0 0.0 4.78 3140 2629 A 102 GLY HAx A 74 LYS HE3 1.0 0.0 4.78 3141 2630 A 75 VAL H A 76 GLU HGy 1.0 0.0 5.20 3142 2630 A 75 VAL H A 76 GLU HGx 1.0 0.0 5.20 3143 2631 A 75 VAL HA A 100 ILE HG1x 1.0 0.0 6.05 3144 2631 A 75 VAL HA A 100 ILE HG1y 1.0 0.0 6.05 3145 2632 A 75 VAL HGx% A 79 LEU HBx 1.0 0.0 5.37 3146 2632 A 75 VAL HGx% A 79 LEU HBy 1.0 0.0 5.37 3147 2633 A 75 VAL HGy% A 76 GLU HGy 1.0 0.0 6.10 3148 2633 A 75 VAL HGy% A 76 GLU HGx 1.0 0.0 6.10 3149 2634 A 76 GLU H A 76 GLU HGy 1.0 0.0 3.42 3150 2634 A 76 GLU H A 76 GLU HGx 1.0 0.0 3.42 3151 2635 A 76 GLU HA A 79 LEU HBx 1.0 0.0 5.13 3152 2635 A 76 GLU HA A 79 LEU HBy 1.0 0.0 5.13 3153 2636 A 77 ALA H A 76 GLU HGy 1.0 0.0 4.29 3154 2636 A 77 ALA H A 76 GLU HGx 1.0 0.0 4.29 3155 2637 A 77 ALA HB% A 76 GLU HGy 1.0 0.0 4.44 3156 2637 A 77 ALA HB% A 76 GLU HGx 1.0 0.0 4.44 3157 2638 A 78 TYR H A 79 LEU HBx 1.0 0.0 5.43 3158 2638 A 78 TYR H A 79 LEU HBy 1.0 0.0 5.43 3159 2639 A 78 TYR HA A 100 ILE HG1x 1.0 0.0 5.75 3160 2639 A 78 TYR HA A 100 ILE HG1y 1.0 0.0 5.75 3161 2640 A 78 TYR HBx A 100 ILE HG1x 1.0 0.0 5.38 3162 2640 A 78 TYR HBx A 100 ILE HG1y 1.0 0.0 5.38 3163 2641 A 78 TYR HD% A 79 LEU HBx 1.0 0.0 6.10 3164 2641 A 78 TYR HD% A 79 LEU HBy 1.0 0.0 6.10 3165 2642 A 78 TYR HD% A 100 ILE HG1x 1.0 0.0 3.90 3166 2642 A 78 TYR HD% A 100 ILE HG1y 1.0 0.0 3.90 3167 2643 A 78 TYR HE% A 88 ILE HG1x 1.0 0.0 5.31 3168 2643 A 78 TYR HE% A 88 ILE HG1y 1.0 0.0 5.31 3169 2644 A 78 TYR HE% A 100 ILE HG1x 1.0 0.0 4.39 3170 2644 A 78 TYR HE% A 100 ILE HG1y 1.0 0.0 4.39 3171 2645 A 79 LEU HDy% A 79 LEU HBx 1.0 0.0 3.39 3172 2645 A 79 LEU HDy% A 79 LEU HBy 1.0 0.0 3.39 3173 2646 A 80 VAL H A 79 LEU HBx 1.0 0.0 3.84 3174 2646 A 80 VAL H A 79 LEU HBy 1.0 0.0 3.84 3175 2647 A 80 VAL HA A 79 LEU HBx 1.0 0.0 6.10 3176 2647 A 80 VAL HA A 79 LEU HBy 1.0 0.0 6.10 3177 2648 A 110 PHE HE% A 79 LEU HBx 1.0 0.0 3.72 3178 2648 A 110 PHE HE% A 79 LEU HBy 1.0 0.0 3.72 3179 2649 A 110 PHE HZ A 79 LEU HBx 1.0 0.0 4.13 3180 2649 A 110 PHE HZ A 79 LEU HBy 1.0 0.0 4.13 3181 2650 A 111 PHE HE% A 79 LEU HBx 1.0 0.0 6.10 3182 2650 A 111 PHE HE% A 79 LEU HBy 1.0 0.0 6.10 3183 2651 A 114 ALA HB% A 79 LEU HBx 1.0 0.0 6.10 3184 2651 A 114 ALA HB% A 79 LEU HBy 1.0 0.0 6.10 3185 2652 A 79 LEU HDy% A 85 PRO HGx 1.0 0.0 4.47 3186 2652 A 79 LEU HDy% A 85 PRO HGy 1.0 0.0 4.47 3187 2653 A 82 LYS HA A 84 ASP HBx 1.0 0.0 5.12 3188 2653 A 82 LYS HA A 84 ASP HBy 1.0 0.0 5.12 3189 2654 A 84 ASP H A 84 ASP HBx 1.0 0.0 3.35 3190 2654 A 84 ASP H A 84 ASP HBy 1.0 0.0 3.35 3191 2655 A 84 ASP HA A 85 PRO HGx 1.0 0.0 5.19 3192 2655 A 84 ASP HA A 85 PRO HGy 1.0 0.0 5.19 3193 2656 A 86 THR H A 84 ASP HBx 1.0 0.0 6.10 3194 2656 A 86 THR H A 84 ASP HBy 1.0 0.0 6.10 3195 2657 A 87 ASP H A 84 ASP HBx 1.0 0.0 4.24 3196 2657 A 87 ASP H A 84 ASP HBy 1.0 0.0 4.24 3197 2658 A 87 ASP HBx A 84 ASP HBx 1.0 0.0 4.61 3198 2658 A 87 ASP HBx A 84 ASP HBy 1.0 0.0 4.61 3199 2659 A 87 ASP HBy A 84 ASP HBx 1.0 0.0 4.39 3200 2659 A 87 ASP HBy A 84 ASP HBy 1.0 0.0 4.39 3201 2660 A 86 THR H A 85 PRO HGx 1.0 0.0 4.41 3202 2660 A 86 THR H A 85 PRO HGy 1.0 0.0 4.41 3203 2661 A 115 GLN HA A 85 PRO HGx 1.0 0.0 3.80 3204 2661 A 115 GLN HA A 85 PRO HGy 1.0 0.0 3.80 3205 2662 A 115 GLN HGx A 85 PRO HGx 1.0 0.0 4.26 3206 2662 A 115 GLN HGx A 85 PRO HGy 1.0 0.0 4.26 3207 2663 A 115 GLN HGy A 85 PRO HGx 1.0 0.0 5.40 3208 2663 A 115 GLN HGy A 85 PRO HGy 1.0 0.0 5.40 3209 2664 A 118 LEU HDx% A 85 PRO HGx 1.0 0.0 3.59 3210 2664 A 118 LEU HDx% A 85 PRO HGy 1.0 0.0 3.59 3211 2665 A 88 ILE H A 88 ILE HG1x 1.0 0.0 4.83 3212 2665 A 88 ILE H A 88 ILE HG1y 1.0 0.0 4.83 3213 2666 A 88 ILE HG2% A 89 LYS HBx 1.0 0.0 5.29 3214 2666 A 88 ILE HG2% A 89 LYS HBy 1.0 0.0 5.29 3215 2667 A 89 LYS H A 88 ILE HG1x 1.0 0.0 3.75 3216 2667 A 89 LYS H A 88 ILE HG1y 1.0 0.0 3.75 3217 2668 A 90 TYR HD% A 88 ILE HG1x 1.0 0.0 5.96 3218 2668 A 90 TYR HD% A 88 ILE HG1y 1.0 0.0 5.96 3219 2669 A 90 TYR HE% A 88 ILE HG1x 1.0 0.0 4.19 3220 2669 A 90 TYR HE% A 88 ILE HG1y 1.0 0.0 4.19 3221 2670 A 97 THR HB A 88 ILE HG1x 1.0 0.0 6.10 3222 2670 A 97 THR HB A 88 ILE HG1y 1.0 0.0 6.10 3223 2671 A 108 LYS HA A 88 ILE HG1x 1.0 0.0 5.90 3224 2671 A 108 LYS HA A 88 ILE HG1y 1.0 0.0 5.90 3225 2672 A 111 PHE HD% A 88 ILE HG1x 1.0 0.0 4.98 3226 2672 A 111 PHE HD% A 88 ILE HG1y 1.0 0.0 4.98 3227 2673 A 111 PHE HE% A 88 ILE HG1x 1.0 0.0 5.21 3228 2673 A 111 PHE HE% A 88 ILE HG1y 1.0 0.0 5.21 3229 2674 A 88 ILE HD1% A 89 LYS HBx 1.0 0.0 5.00 3230 2674 A 88 ILE HD1% A 89 LYS HBy 1.0 0.0 5.00 3231 2675 A 89 LYS H A 89 LYS HBx 1.0 0.0 3.27 3232 2675 A 89 LYS H A 89 LYS HBy 1.0 0.0 3.27 3233 2676 A 90 TYR HD% A 89 LYS HBx 1.0 0.0 6.10 3234 2676 A 90 TYR HD% A 89 LYS HBy 1.0 0.0 6.10 3235 2677 A 90 TYR H A 89 LYS HGy 1.0 0.0 4.81 3236 2677 A 90 TYR H A 89 LYS HGx 1.0 0.0 4.81 3237 2678 A 90 TYR HE% A 108 LYS HBx 1.0 0.0 5.41 3238 2678 A 90 TYR HE% A 108 LYS HBy 1.0 0.0 5.41 3239 2679 A 91 LYS HDx A 91 LYS HBx 1.0 0.0 3.91 3240 2679 A 91 LYS HDx A 91 LYS HBy 1.0 0.0 3.91 3241 2680 A 91 LYS HEx A 91 LYS HBx 1.0 0.0 4.23 3242 2680 A 91 LYS HEx A 91 LYS HBy 1.0 0.0 4.23 3243 2681 A 91 LYS HEy A 91 LYS HBx 1.0 0.0 3.80 3244 2681 A 91 LYS HEy A 91 LYS HBy 1.0 0.0 3.80 3245 2682 A 92 ASP H A 91 LYS HBx 1.0 0.0 4.27 3246 2682 A 92 ASP H A 91 LYS HBy 1.0 0.0 4.27 3247 2683 A 91 LYS HDy A 98 ASP HBx 1.0 0.0 4.97 3248 2683 A 91 LYS HDy A 98 ASP HBy 1.0 0.0 4.97 3249 2684 A 91 LYS HDx A 98 ASP HBx 1.0 0.0 4.87 3250 2684 A 91 LYS HDx A 98 ASP HBy 1.0 0.0 4.87 3251 2685 A 91 LYS HEy A 98 ASP HBx 1.0 0.0 4.90 3252 2685 A 91 LYS HEy A 98 ASP HBy 1.0 0.0 4.90 3253 2686 A 92 ASP H A 92 ASP HBy 1.0 0.0 3.81 3254 2686 A 92 ASP H A 92 ASP HBx 1.0 0.0 3.81 3255 2687 A 94 ASP H A 92 ASP HBy 1.0 0.0 4.47 3256 2687 A 94 ASP H A 92 ASP HBx 1.0 0.0 4.47 3257 2688 A 96 HIS H A 92 ASP HBy 1.0 0.0 4.19 3258 2688 A 96 HIS H A 92 ASP HBx 1.0 0.0 4.19 3259 2689 A 93 ASN HBx A 93 ASN HD2x 1.0 0.0 3.24 3260 2689 A 93 ASN HBy A 93 ASN HD2x 1.0 0.0 3.24 3261 2689 A 93 ASN HD2y A 93 ASN HBx 1.0 0.0 3.24 3262 2689 A 93 ASN HBy A 93 ASN HD2y 1.0 0.0 3.24 3263 2690 A 94 ASP H A 93 ASN HBx 1.0 0.0 4.27 3264 2690 A 94 ASP H A 93 ASN HBy 1.0 0.0 4.27 3265 2691 A 95 GLY H A 108 LYS HBx 1.0 0.0 5.20 3266 2691 A 95 GLY H A 108 LYS HBy 1.0 0.0 5.20 3267 2692 A 95 GLY HAx A 108 LYS HBx 1.0 0.0 4.44 3268 2692 A 95 GLY HAx A 108 LYS HBy 1.0 0.0 4.44 3269 2693 A 95 GLY HAy A 108 LYS HBx 1.0 0.0 3.94 3270 2693 A 95 GLY HAy A 108 LYS HBy 1.0 0.0 3.94 3271 2694 A 97 THR HA A 98 ASP HBx 1.0 0.0 4.65 3272 2694 A 97 THR HA A 98 ASP HBy 1.0 0.0 4.65 3273 2695 A 97 THR HG2% A 100 ILE HG1x 1.0 0.0 3.98 3274 2695 A 97 THR HG2% A 100 ILE HG1y 1.0 0.0 3.98 3275 2696 A 98 ASP H A 98 ASP HBx 1.0 0.0 3.53 3276 2696 A 98 ASP H A 98 ASP HBy 1.0 0.0 3.53 3277 2697 A 99 ALA H A 98 ASP HBx 1.0 0.0 4.30 3278 2697 A 99 ALA H A 98 ASP HBy 1.0 0.0 4.30 3279 2698 A 99 ALA H A 100 ILE HG1x 1.0 0.0 5.10 3280 2698 A 99 ALA H A 100 ILE HG1y 1.0 0.0 5.10 3281 2699 A 99 ALA HB% A 100 ILE HG1x 1.0 0.0 4.30 3282 2699 A 99 ALA HB% A 100 ILE HG1y 1.0 0.0 4.30 3283 2700 A 100 ILE H A 100 ILE HG1x 1.0 0.0 3.74 3284 2700 A 100 ILE H A 100 ILE HG1y 1.0 0.0 3.74 3285 2701 A 100 ILE HA A 100 ILE HG1x 1.0 0.0 3.93 3286 2701 A 100 ILE HA A 100 ILE HG1y 1.0 0.0 3.93 3287 2702 A 100 ILE HG2% A 101 SER HBy 1.0 0.0 5.48 3288 2702 A 100 ILE HG2% A 101 SER HBx 1.0 0.0 5.48 3289 2703 A 100 ILE HG2% A 102 GLY HAy 1.0 0.0 5.18 3290 2703 A 100 ILE HG2% A 102 GLY HAx 1.0 0.0 5.18 3291 2704 A 101 SER H A 100 ILE HG1x 1.0 0.0 5.50 3292 2704 A 101 SER H A 100 ILE HG1y 1.0 0.0 5.50 3293 2705 A 101 SER H A 101 SER HBy 1.0 0.0 3.56 3294 2705 A 101 SER H A 101 SER HBx 1.0 0.0 3.56 3295 2706 A 105 ILE H A 105 ILE HG1y 1.0 0.0 4.49 3296 2706 A 105 ILE H A 105 ILE HG1x 1.0 0.0 4.49 3297 2707 A 105 ILE HG1x A 106 LYS HD2 1.0 0.0 4.30 3298 2707 A 105 ILE HG1y A 106 LYS HD2 1.0 0.0 4.30 3299 2707 A 106 LYS HD3 A 105 ILE HG1y 1.0 0.0 4.30 3300 2707 A 106 LYS HD3 A 105 ILE HG1x 1.0 0.0 4.30 3301 2708 A 105 ILE HD1% A 106 LYS HBx 1.0 0.0 3.99 3302 2708 A 105 ILE HD1% A 106 LYS HBy 1.0 0.0 3.99 3303 2709 A 106 LYS HBx A 106 LYS HD2 1.0 0.0 3.76 3304 2709 A 106 LYS HBy A 106 LYS HD2 1.0 0.0 3.76 3305 2709 A 106 LYS HD3 A 106 LYS HBx 1.0 0.0 3.76 3306 2709 A 106 LYS HD3 A 106 LYS HBy 1.0 0.0 3.76 3307 2710 A 106 LYS HBy A 106 LYS HE2 1.0 0.0 4.07 3308 2710 A 106 LYS HBx A 106 LYS HE2 1.0 0.0 4.07 3309 2710 A 106 LYS HE3 A 106 LYS HBx 1.0 0.0 4.07 3310 2710 A 106 LYS HE3 A 106 LYS HBy 1.0 0.0 4.07 3311 2711 A 107 VAL H A 106 LYS HBx 1.0 0.0 4.23 3312 2711 A 107 VAL H A 106 LYS HBy 1.0 0.0 4.23 3313 2712 A 108 LYS H A 106 LYS HBx 1.0 0.0 4.49 3314 2712 A 108 LYS H A 106 LYS HBy 1.0 0.0 4.49 3315 2713 A 107 VAL H A 108 LYS HBx 1.0 0.0 5.88 3316 2713 A 107 VAL H A 108 LYS HBy 1.0 0.0 5.88 3317 2714 A 107 VAL HGx% A 108 LYS HBx 1.0 0.0 5.50 3318 2714 A 107 VAL HGx% A 108 LYS HBy 1.0 0.0 5.50 3319 2715 A 108 LYS H A 108 LYS HBx 1.0 0.0 3.21 3320 2715 A 108 LYS H A 108 LYS HBy 1.0 0.0 3.21 3321 2716 A 109 LYS H A 108 LYS HBx 1.0 0.0 3.57 3322 2716 A 109 LYS H A 108 LYS HBy 1.0 0.0 3.57 3323 2717 A 109 LYS HA A 108 LYS HBx 1.0 0.0 5.23 3324 2717 A 109 LYS HA A 108 LYS HBy 1.0 0.0 5.23 3325 2718 A 109 LYS HA A 109 LYS HDx 1.0 0.0 4.39 3326 2718 A 109 LYS HA A 109 LYS HDy 1.0 0.0 4.39 3327 2719 A 112 ASP HBx A 109 LYS HDx 1.0 0.0 6.10 3328 2719 A 112 ASP HBx A 109 LYS HDy 1.0 0.0 6.10 3329 2720 A 113 LEU HG A 109 LYS HDx 1.0 0.0 4.91 3330 2720 A 113 LEU HG A 109 LYS HDy 1.0 0.0 4.91 3331 2721 A 109 LYS HDy A 113 LEU HD1% 1.0 0.0 4.78 3332 2721 A 113 LEU HD2% A 109 LYS HDx 1.0 0.0 4.78 3333 2721 A 113 LEU HD2% A 109 LYS HDy 1.0 0.0 4.78 3334 2721 A 109 LYS HDx A 113 LEU HD1% 1.0 0.0 4.78 3335 2722 A 113 LEU HA A 116 LYS HDx 1.0 0.0 4.66 3336 2722 A 113 LEU HA A 116 LYS HDy 1.0 0.0 4.66 3337 2723 A 113 LEU HD1% A 116 LYS HDx 1.0 0.0 4.28 3338 2723 A 116 LYS HDy A 113 LEU HD1% 1.0 0.0 4.28 3339 2723 A 113 LEU HD2% A 116 LYS HDy 1.0 0.0 4.28 3340 2723 A 113 LEU HD2% A 116 LYS HDx 1.0 0.0 4.28 3341 2724 A 115 GLN HA A 118 LEU HBx 1.0 0.0 5.11 3342 2724 A 115 GLN HA A 118 LEU HBy 1.0 0.0 5.11 3343 2725 A 115 GLN HBy A 116 LYS HDx 1.0 0.0 6.10 3344 2725 A 115 GLN HBy A 116 LYS HDy 1.0 0.0 6.10 3345 2726 A 116 LYS H A 116 LYS HDx 1.0 0.0 4.16 3346 2726 A 116 LYS H A 116 LYS HDy 1.0 0.0 4.16 3347 2727 A 116 LYS HA A 116 LYS HDx 1.0 0.0 5.02 3348 2727 A 116 LYS HA A 116 LYS HDy 1.0 0.0 5.02 3349 2728 A 116 LYS HG2 A 119 LYS HEx 1.0 0.0 4.63 3350 2728 A 116 LYS HG3 A 119 LYS HEx 1.0 0.0 4.63 3351 2728 A 119 LYS HEy A 116 LYS HG2 1.0 0.0 4.63 3352 2728 A 116 LYS HG3 A 119 LYS HEy 1.0 0.0 4.63 3353 2729 A 118 LEU H A 118 LEU HBx 1.0 0.0 3.84 3354 2729 A 118 LEU H A 118 LEU HBy 1.0 0.0 3.84 3355 2730 A 119 LYS HG2 A 120 ASP HBx 1.0 0.0 3.96 3356 2730 A 119 LYS HG3 A 120 ASP HBx 1.0 0.0 3.96 3357 2730 A 120 ASP HBy A 119 LYS HG2 1.0 0.0 3.96 3358 2730 A 119 LYS HG3 A 120 ASP HBy 1.0 0.0 3.96 3359 2731 A 121 ALA H A 120 ASP HBx 1.0 0.0 3.83 3360 2731 A 121 ALA H A 120 ASP HBy 1.0 0.0 3.83 3361 2732 A 121 ALA HB% A 120 ASP HBx 1.0 0.0 4.83 3362 2732 A 121 ALA HB% A 120 ASP HBy 1.0 0.0 4.83 3363 2733 A 121 ALA H A 122 GLU HBy 1.0 0.0 5.35 3364 2733 A 121 ALA H A 122 GLU HBx 1.0 0.0 5.35 3365 2734 A 121 ALA HA A 122 GLU HBy 1.0 0.0 6.10 3366 2734 A 121 ALA HA A 122 GLU HBx 1.0 0.0 6.10 3367 2735 A 121 ALA HB% A 122 GLU HBy 1.0 0.0 5.25 3368 2735 A 121 ALA HB% A 122 GLU HBx 1.0 0.0 5.25 3369 2736 A 121 ALA HB% A 122 GLU HGy 1.0 0.0 5.24 3370 2736 A 121 ALA HB% A 122 GLU HGx 1.0 0.0 5.24 3371 2737 A 122 GLU H A 122 GLU HBy 1.0 0.0 3.14 3372 2737 A 122 GLU H A 122 GLU HBx 1.0 0.0 3.14 3373 2738 A 122 GLU H A 122 GLU HGy 1.0 0.0 3.70 3374 2738 A 122 GLU H A 122 GLU HGx 1.0 0.0 3.70 3375 2739 A 122 GLU H A 123 LYS HGx 1.0 0.0 5.24 3376 2739 A 122 GLU H A 123 LYS HGy 1.0 0.0 5.24 3377 2740 A 122 GLU HA A 122 GLU HGy 1.0 0.0 3.91 3378 2740 A 122 GLU HA A 122 GLU HGx 1.0 0.0 3.91 3379 2741 A 123 LYS H A 122 GLU HBy 1.0 0.0 4.44 3380 2741 A 123 LYS H A 122 GLU HBx 1.0 0.0 4.44 3381 2742 A 123 LYS H A 122 GLU HGy 1.0 0.0 4.82 3382 2742 A 123 LYS H A 122 GLU HGx 1.0 0.0 4.82 3383 2743 A 123 LYS H A 123 LYS HGx 1.0 0.0 3.81 3384 2743 A 123 LYS H A 123 LYS HGy 1.0 0.0 3.81 3385 2744 A 123 LYS HA A 123 LYS HGx 1.0 0.0 3.78 3386 2744 A 123 LYS HA A 123 LYS HGy 1.0 0.0 3.78 3387 2745 A 124 LEU H A 123 LYS HGx 1.0 0.0 5.31 3388 2745 A 124 LEU H A 123 LYS HGy 1.0 0.0 5.31 3389 2746 A 124 LEU H A 124 LEU HBx 1.0 0.0 2.95 3390 2746 A 124 LEU H A 124 LEU HBy 1.0 0.0 2.95 3391 2747 A 124 LEU H A 124 LEU HDx% 1.0 0.0 4.67 3392 2747 A 124 LEU H A 124 LEU HDy% 1.0 0.0 4.67 3393 2748 A 124 LEU HA A 124 LEU HDx% 1.0 0.0 3.45 3394 2748 A 124 LEU HA A 124 LEU HDy% 1.0 0.0 3.45 3395 2749 A 125 GLU H A 124 LEU HBx 1.0 0.0 4.32 3396 2749 A 125 GLU H A 124 LEU HBy 1.0 0.0 4.32 3397 2750 A 125 GLU H A 124 LEU HDx% 1.0 0.0 4.95 3398 2750 A 125 GLU H A 124 LEU HDy% 1.0 0.0 4.95 3399 2751 A 125 GLU H A 125 GLU HBy 1.0 0.0 3.38 3400 2751 A 125 GLU H A 125 GLU HBx 1.0 0.0 3.38 3401 2752 A 125 GLU H A 125 GLU HGy 1.0 0.0 5.29 3402 2752 A 125 GLU H A 125 GLU HGx 1.0 0.0 5.29 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 GLY C A 5 THR N A 5 THR CA A 5 THR C 1.0 -147.0 -59.0 PHI 2 2 A 5 THR N A 5 THR CA A 5 THR C A 6 TYR N 1.0 107.0 143.0 PSI 3 3 A 5 THR C A 6 TYR N A 6 TYR CA A 6 TYR C 1.0 -143.0 -91.0 PHI 4 4 A 6 TYR N A 6 TYR CA A 6 TYR C A 7 TYR N 1.0 110.0 154.0 PSI 5 5 A 6 TYR C A 7 TYR N A 7 TYR CA A 7 TYR C 1.0 -139.0 -107.0 PHI 6 6 A 7 TYR N A 7 TYR CA A 7 TYR C A 8 ALA N 1.0 119.0 167.0 PSI 7 7 A 7 TYR C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -169.0 -109.0 PHI 8 8 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 GLU N 1.0 135.0 179.0 PSI 9 9 A 8 ALA C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -148.0 -116.0 PHI 10 10 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 ALA N 1.0 127.0 167.0 PSI 11 11 A 17 GLY C A 18 TRP N A 18 TRP CA A 18 TRP C 1.0 -151.0 -87.0 PHI 12 12 A 18 TRP N A 18 TRP CA A 18 TRP C A 19 LYS N 1.0 116.0 152.0 PSI 13 13 A 18 TRP C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -139.0 -75.0 PHI 14 14 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 ASP N 1.0 98.0 162.0 PSI 15 15 A 19 LYS C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -173.0 -69.0 PHI 16 16 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 THR N 1.0 131.0 179.0 PSI 17 17 A 20 ASP C A 21 THR N A 21 THR CA A 21 THR C 1.0 -171.0 -115.0 PHI 18 18 A 21 THR N A 21 THR CA A 21 THR C A 22 VAL N 1.0 137.0 173.0 PSI 19 19 A 21 THR C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -171.0 -119.0 PHI 20 20 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 THR N 1.0 108.0 172.0 PSI 21 21 A 22 VAL C A 23 THR N A 23 THR CA A 23 THR C 1.0 -153.0 -65.0 PHI 22 22 A 23 THR N A 23 THR CA A 23 THR C A 24 ILE N 1.0 112.0 144.0 PSI 23 23 A 23 THR C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -153.0 -93.0 PHI 24 24 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 GLU N 1.0 116.0 160.0 PSI 25 25 A 24 ILE C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -145.0 -97.0 PHI 26 26 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 VAL N 1.0 109.0 137.0 PSI 27 27 A 25 GLU C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -145.0 -89.0 PHI 28 28 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 LYS N 1.0 117.0 137.0 PSI 29 29 A 26 VAL C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -166.0 -106.0 PHI 30 30 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ASN N 1.0 113.0 145.0 PSI 31 31 A 29 GLY C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -145.0 -89.0 PHI 32 32 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 ILE N 1.0 120.0 180.0 PSI 33 33 A 30 LYS C A 31 ILE N A 31 ILE CA A 31 ILE C 1.0 -90.0 -58.0 PHI 34 34 A 31 ILE N A 31 ILE CA A 31 ILE C A 32 VAL N 1.0 114.0 146.0 PSI 35 35 A 31 ILE C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -136.0 -76.0 PHI 36 36 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 SER N 1.0 -42.0 10.0 PSI 37 37 A 32 VAL C A 33 SER N A 33 SER CA A 33 SER C 1.0 -175.0 -131.0 PHI 38 38 A 33 SER N A 33 SER CA A 33 SER C A 34 VAL N 1.0 126.0 166.0 PSI 39 39 A 33 SER C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -150.0 -110.0 PHI 40 40 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 ASP N 1.0 113.0 169.0 PSI 41 41 A 34 VAL C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -139.0 -91.0 PHI 42 42 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 TRP N 1.0 111.0 143.0 PSI 43 43 A 35 ASP C A 36 TRP N A 36 TRP CA A 36 TRP C 1.0 -126.0 -62.0 PHI 44 44 A 36 TRP N A 36 TRP CA A 36 TRP C A 37 ASN N 1.0 78.0 166.0 PSI 45 45 A 36 TRP C A 37 ASN N A 37 ASN CA A 37 ASN C 1.0 -163.0 -87.0 PHI 46 46 A 37 ASN N A 37 ASN CA A 37 ASN C A 38 ALA N 1.0 135.0 179.0 PSI 47 47 A 37 ASN C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -177.0 -101.0 PHI 48 48 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 ILE N 1.0 134.0 170.0 PSI 49 49 A 38 ALA C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -146.0 -102.0 PHI 50 50 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 ASN N 1.0 105.0 157.0 PSI 51 51 A 39 ILE C A 40 ASN N A 40 ASN CA A 40 ASN C 1.0 -158.0 -22.0 PHI 52 52 A 40 ASN N A 40 ASN CA A 40 ASN C A 41 LYS N 1.0 114.0 138.0 PSI 53 53 A 46 ASP C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -70.0 -50.0 PHI 54 54 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 ASP N 1.0 -60.0 -24.0 PSI 55 55 A 47 LYS C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -79.0 -51.0 PHI 56 56 A 48 ASP N A 48 ASP CA A 48 ASP C A 49 THR N 1.0 -60.0 -12.0 PSI 57 57 A 48 ASP C A 49 THR N A 49 THR CA A 49 THR C 1.0 -87.0 -51.0 PHI 58 58 A 49 THR N A 49 THR CA A 49 THR C A 50 LEU N 1.0 -56.0 -28.0 PSI 59 59 A 49 THR C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -70.0 -50.0 PHI 60 60 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 SER N 1.0 -56.0 -36.0 PSI 61 61 A 50 LEU C A 51 SER N A 51 SER CA A 51 SER C 1.0 -73.0 -53.0 PHI 62 62 A 51 SER N A 51 SER CA A 51 SER C A 52 ARG N 1.0 -54.0 -30.0 PSI 63 63 A 51 SER C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -81.0 -49.0 PHI 64 64 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 ASN N 1.0 -56.0 0.0 PSI 65 65 A 56 TYR C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -151.0 -59.0 PHI 66 66 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 MET N 1.0 69.0 173.0 PSI 67 67 A 57 LYS C A 58 MET N A 58 MET CA A 58 MET C 1.0 -182.0 -42.0 PHI 68 68 A 58 MET N A 58 MET CA A 58 MET C A 59 VAL N 1.0 115.0 179.0 PSI 69 69 A 70 GLU C A 71 GLN N A 71 GLN CA A 71 GLN C 1.0 -88.0 -44.0 PHI 70 70 A 71 GLN N A 71 GLN CA A 71 GLN C A 72 ALA N 1.0 -60.0 -8.0 PSI 71 71 A 71 GLN C A 72 ALA N A 72 ALA CA A 72 ALA C 1.0 -73.0 -45.0 PHI 72 72 A 72 ALA N A 72 ALA CA A 72 ALA C A 73 GLU N 1.0 -55.0 -27.0 PSI 73 73 A 72 ALA C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -75.0 -51.0 PHI 74 74 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 LYS N 1.0 -56.0 -32.0 PSI 75 75 A 73 GLU C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -74.0 -54.0 PHI 76 76 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 VAL N 1.0 -57.0 -21.0 PSI 77 77 A 74 LYS C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -72.0 -52.0 PHI 78 78 A 75 VAL N A 75 VAL CA A 75 VAL C A 76 GLU N 1.0 -56.0 -36.0 PSI 79 79 A 75 VAL C A 76 GLU N A 76 GLU CA A 76 GLU C 1.0 -68.0 -48.0 PHI 80 80 A 76 GLU N A 76 GLU CA A 76 GLU C A 77 ALA N 1.0 -58.0 -34.0 PSI 81 81 A 76 GLU C A 77 ALA N A 77 ALA CA A 77 ALA C 1.0 -74.0 -54.0 PHI 82 82 A 77 ALA N A 77 ALA CA A 77 ALA C A 78 TYR N 1.0 -56.0 -24.0 PSI 83 83 A 77 ALA C A 78 TYR N A 78 TYR CA A 78 TYR C 1.0 -74.0 -54.0 PHI 84 84 A 78 TYR N A 78 TYR CA A 78 TYR C A 79 LEU N 1.0 -55.0 -35.0 PSI 85 85 A 78 TYR C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -73.0 -49.0 PHI 86 86 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 VAL N 1.0 -56.0 -24.0 PSI 87 87 A 79 LEU C A 80 VAL N A 80 VAL CA A 80 VAL C 1.0 -74.0 -50.0 PHI 88 88 A 80 VAL N A 80 VAL CA A 80 VAL C A 81 GLU N 1.0 -57.0 -33.0 PSI 89 89 A 80 VAL C A 81 GLU N A 81 GLU CA A 81 GLU C 1.0 -76.0 -48.0 PHI 90 90 A 81 GLU N A 81 GLU CA A 81 GLU C A 82 LYS N 1.0 -57.0 -21.0 PSI 91 91 A 81 GLU C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -128.0 -56.0 PHI 92 92 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 GLN N 1.0 -30.0 30.0 PSI 93 93 A 82 LYS C A 83 GLN N A 83 GLN CA A 83 GLN C 1.0 48.0 72.0 PHI 94 94 A 83 GLN N A 83 GLN CA A 83 GLN C A 84 ASP N 1.0 13.0 61.0 PSI 95 95 A 87 ASP C A 88 ILE N A 88 ILE CA A 88 ILE C 1.0 -175.0 -87.0 PHI 96 96 A 88 ILE N A 88 ILE CA A 88 ILE C A 89 LYS N 1.0 106.0 182.0 PSI 97 97 A 88 ILE C A 89 LYS N A 89 LYS CA A 89 LYS C 1.0 -144.0 -96.0 PHI 98 98 A 89 LYS N A 89 LYS CA A 89 LYS C A 90 TYR N 1.0 106.0 142.0 PSI 99 99 A 89 LYS C A 90 TYR N A 90 TYR CA A 90 TYR C 1.0 -136.0 -52.0 PHI 100 100 A 90 TYR N A 90 TYR CA A 90 TYR C A 91 LYS N 1.0 123.0 163.0 PSI 101 101 A 90 TYR C A 91 LYS N A 91 LYS CA A 91 LYS C 1.0 -176.0 -32.0 PHI 102 102 A 91 LYS N A 91 LYS CA A 91 LYS C A 92 ASP N 1.0 87.0 207.0 PSI 103 103 A 91 LYS C A 92 ASP N A 92 ASP CA A 92 ASP C 1.0 -160.0 -44.0 PHI 104 104 A 92 ASP N A 92 ASP CA A 92 ASP C A 93 ASN N 1.0 86.0 198.0 PSI 105 105 A 96 HIS C A 97 THR N A 97 THR CA A 97 THR C 1.0 -148.0 -72.0 PHI 106 106 A 97 THR N A 97 THR CA A 97 THR C A 98 ASP N 1.0 99.0 151.0 PSI 107 107 A 102 GLY C A 103 ALA N A 103 ALA CA A 103 ALA C 1.0 -180.0 40.0 PHI 108 108 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 THR N 1.0 91.0 187.0 PSI 109 109 A 108 LYS C A 109 LYS N A 109 LYS CA A 109 LYS C 1.0 -86.0 -46.0 PHI 110 110 A 109 LYS N A 109 LYS CA A 109 LYS C A 110 PHE N 1.0 -95.0 25.0 PSI 111 111 A 109 LYS C A 110 PHE N A 110 PHE CA A 110 PHE C 1.0 -85.0 -49.0 PHI 112 112 A 110 PHE N A 110 PHE CA A 110 PHE C A 111 PHE N 1.0 -60.0 -16.0 PSI 113 113 A 110 PHE C A 111 PHE N A 111 PHE CA A 111 PHE C 1.0 -77.0 -49.0 PHI 114 114 A 111 PHE N A 111 PHE CA A 111 PHE C A 112 ASP N 1.0 -56.0 -28.0 PSI 115 115 A 111 PHE C A 112 ASP N A 112 ASP CA A 112 ASP C 1.0 -75.0 -55.0 PHI 116 116 A 112 ASP N A 112 ASP CA A 112 ASP C A 113 LEU N 1.0 -54.0 -22.0 PSI 117 117 A 112 ASP C A 113 LEU N A 113 LEU CA A 113 LEU C 1.0 -79.0 -51.0 PHI 118 118 A 113 LEU N A 113 LEU CA A 113 LEU C A 114 ALA N 1.0 -57.0 -17.0 PSI 119 119 A 113 LEU C A 114 ALA N A 114 ALA CA A 114 ALA C 1.0 -73.0 -53.0 PHI 120 120 A 114 ALA N A 114 ALA CA A 114 ALA C A 115 GLN N 1.0 -55.0 -31.0 PSI 121 121 A 114 ALA C A 115 GLN N A 115 GLN CA A 115 GLN C 1.0 -76.0 -52.0 PHI 122 122 A 115 GLN N A 115 GLN CA A 115 GLN C A 116 LYS N 1.0 -49.0 -29.0 PSI 123 123 A 115 GLN C A 116 LYS N A 116 LYS CA A 116 LYS C 1.0 -74.0 -54.0 PHI 124 124 A 116 LYS N A 116 LYS CA A 116 LYS C A 117 ALA N 1.0 -50.0 -30.0 PSI 125 125 A 116 LYS C A 117 ALA N A 117 ALA CA A 117 ALA C 1.0 -86.0 -42.0 PHI 126 126 A 117 ALA N A 117 ALA CA A 117 ALA C A 118 LEU N 1.0 -65.0 -9.0 PSI 127 127 A 117 ALA C A 118 LEU N A 118 LEU CA A 118 LEU C 1.0 -109.0 -53.0 PHI 128 128 A 118 LEU N A 118 LEU CA A 118 LEU C A 119 LYS N 1.0 -58.0 26.0 PSI 129 129 A 118 LEU C A 119 LYS N A 119 LYS CA A 119 LYS C 1.0 -79.0 -55.0 PHI 130 130 A 119 LYS N A 119 LYS CA A 119 LYS C A 120 ASP N 1.0 -50.0 -14.0 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 5 THR N A 5 THR H 1.0 . . . 2 2 A 6 TYR N A 6 TYR H 1.0 . . . 3 3 A 8 ALA N A 8 ALA H 1.0 . . . 4 4 A 9 GLU N A 9 GLU H 1.0 . . . 5 5 A 10 ALA N A 10 ALA H 1.0 . . . 6 6 A 11 ASP N A 11 ASP H 1.0 . . . 7 7 A 12 ASP N A 12 ASP H 1.0 . . . 8 8 A 13 PHE N A 13 PHE H 1.0 . . . 9 9 A 14 ASP N A 14 ASP H 1.0 . . . 10 10 A 15 GLU N A 15 GLU H 1.0 . . . 11 11 A 17 GLY N A 17 GLY H 1.0 . . . 12 12 A 18 TRP N A 18 TRP H 1.0 . . . 13 13 A 19 LYS N A 19 LYS H 1.0 . . . 14 14 A 20 ASP N A 20 ASP H 1.0 . . . 15 15 A 22 VAL N A 22 VAL H 1.0 . . . 16 16 A 24 ILE N A 24 ILE H 1.0 . . . 17 17 A 25 GLU N A 25 GLU H 1.0 . . . 18 18 A 26 VAL N A 26 VAL H 1.0 . . . 19 19 A 27 LYS N A 27 LYS H 1.0 . . . 20 20 A 28 ASN N A 28 ASN H 1.0 . . . 21 21 A 29 GLY N A 29 GLY H 1.0 . . . 22 22 A 31 ILE N A 31 ILE H 1.0 . . . 23 23 A 32 VAL N A 32 VAL H 1.0 . . . 24 24 A 33 SER N A 33 SER H 1.0 . . . 25 25 A 34 VAL N A 34 VAL H 1.0 . . . 26 26 A 35 ASP N A 35 ASP H 1.0 . . . 27 27 A 38 ALA N A 38 ALA H 1.0 . . . 28 28 A 40 ASN N A 40 ASN H 1.0 . . . 29 29 A 42 ASP N A 42 ASP H 1.0 . . . 30 30 A 44 GLY N A 44 GLY H 1.0 . . . 31 31 A 45 ASP N A 45 ASP H 1.0 . . . 32 32 A 46 ASP N A 46 ASP H 1.0 . . . 33 33 A 47 LYS N A 47 LYS H 1.0 . . . 34 34 A 48 ASP N A 48 ASP H 1.0 . . . 35 35 A 49 THR N A 49 THR H 1.0 . . . 36 36 A 50 LEU N A 50 LEU H 1.0 . . . 37 37 A 53 ASN N A 53 ASN H 1.0 . . . 38 38 A 54 GLY N A 54 GLY H 1.0 . . . 39 39 A 56 TYR N A 56 TYR H 1.0 . . . 40 40 A 57 LYS N A 57 LYS H 1.0 . . . 41 41 A 73 GLU N A 73 GLU H 1.0 . . . 42 42 A 76 GLU N A 76 GLU H 1.0 . . . 43 43 A 77 ALA N A 77 ALA H 1.0 . . . 44 44 A 78 TYR N A 78 TYR H 1.0 . . . 45 45 A 79 LEU N A 79 LEU H 1.0 . . . 46 46 A 80 VAL N A 80 VAL H 1.0 . . . 47 47 A 81 GLU N A 81 GLU H 1.0 . . . 48 48 A 82 LYS N A 82 LYS H 1.0 . . . 49 49 A 83 GLN N A 83 GLN H 1.0 . . . 50 50 A 86 THR N A 86 THR H 1.0 . . . 51 51 A 87 ASP N A 87 ASP H 1.0 . . . 52 52 A 88 ILE N A 88 ILE H 1.0 . . . 53 53 A 89 LYS N A 89 LYS H 1.0 . . . 54 54 A 90 TYR N A 90 TYR H 1.0 . . . 55 55 A 91 LYS N A 91 LYS H 1.0 . . . 56 56 A 92 ASP N A 92 ASP H 1.0 . . . 57 57 A 94 ASP N A 94 ASP H 1.0 . . . 58 58 A 95 GLY N A 95 GLY H 1.0 . . . 59 59 A 96 HIS N A 96 HIS H 1.0 . . . 60 60 A 97 THR N A 97 THR H 1.0 . . . 61 61 A 98 ASP N A 98 ASP H 1.0 . . . 62 62 A 99 ALA N A 99 ALA H 1.0 . . . 63 63 A 100 ILE N A 100 ILE H 1.0 . . . 64 64 A 101 SER N A 101 SER H 1.0 . . . 65 65 A 102 GLY N A 102 GLY H 1.0 . . . 66 66 A 103 ALA N A 103 ALA H 1.0 . . . 67 67 A 105 ILE N A 105 ILE H 1.0 . . . 68 68 A 107 VAL N A 107 VAL H 1.0 . . . 69 69 A 108 LYS N A 108 LYS H 1.0 . . . 70 70 A 109 LYS N A 109 LYS H 1.0 . . . 71 71 A 110 PHE N A 110 PHE H 1.0 . . . 72 72 A 111 PHE N A 111 PHE H 1.0 . . . 73 73 A 112 ASP N A 112 ASP H 1.0 . . . 74 74 A 114 ALA N A 114 ALA H 1.0 . . . 75 75 A 115 GLN N A 115 GLN H 1.0 . . . 76 76 A 116 LYS N A 116 LYS H 1.0 . . . 77 77 A 119 LYS N A 119 LYS H 1.0 . . . 78 78 A 120 ASP N A 120 ASP H 1.0 . . . 79 79 A 121 ALA N A 121 ALA H 1.0 . . . stop_ save_ save_aliphatic _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode aliphatic _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 14 2 1H 14 3 13C 35 stop_ save_ save_amide _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode amide _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 14 2 1H 14 3 15N 30 stop_ save_ save_aromatic _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode aromatic _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 14 2 1H 14 3 13C 35 stop_ save_