data_nef_c15381_2jsx 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 HIS middle . . 3 A 3 THR middle . . 4 A 4 ASN middle . . 5 A 5 TRP middle . . 6 A 6 GLN middle . . 7 A 7 VAL middle . . 8 A 8 CYS middle . . 9 A 9 SER middle . . 10 A 10 LEU middle . . 11 A 11 VAL middle . . 12 A 12 VAL middle . . 13 A 13 GLN middle . . 14 A 14 ALA middle . . 15 A 15 LYS middle . . 16 A 16 SER middle . . 17 A 17 GLU middle . . 18 A 18 ARG middle . . 19 A 19 ILE middle . . 20 A 20 SER middle . . 21 A 21 ASP middle . . 22 A 22 ILE middle . . 23 A 23 SER middle . . 24 A 24 THR middle . . 25 A 25 GLN middle . . 26 A 26 LEU middle . . 27 A 27 ASN middle . . 28 A 28 ALA middle . . 29 A 29 PHE middle . . 30 A 30 PRO middle . false 31 A 31 GLY middle . false 32 A 32 CYS middle . . 33 A 33 GLU middle . . 34 A 34 VAL middle . . 35 A 35 ALA middle . . 36 A 36 VAL middle . . 37 A 37 SER middle . . 38 A 38 ASP middle . . 39 A 39 ALA middle . . 40 A 40 PRO middle . false 41 A 41 SER middle . . 42 A 42 GLY middle . false 43 A 43 GLN middle . . 44 A 44 LEU middle . . 45 A 45 ILE middle . . 46 A 46 VAL middle . . 47 A 47 VAL middle . . 48 A 48 VAL middle . . 49 A 49 GLU middle . . 50 A 50 ALA middle . . 51 A 51 GLU middle . . 52 A 52 ASP middle . . 53 A 53 SER middle . . 54 A 54 GLU middle . . 55 A 55 THR middle . . 56 A 56 LEU middle . . 57 A 57 ILE middle . . 58 A 58 GLN middle . . 59 A 59 THR middle . . 60 A 60 ILE middle . . 61 A 61 GLU middle . . 62 A 62 SER middle . . 63 A 63 VAL middle . . 64 A 64 ARG middle . . 65 A 65 ASN middle . . 66 A 66 VAL middle . . 67 A 67 GLU middle . . 68 A 68 GLY middle . false 69 A 69 VAL middle . . 70 A 70 LEU middle . . 71 A 71 ALA middle . . 72 A 72 VAL middle . . 73 A 73 SER middle . . 74 A 74 LEU middle . . 75 A 75 VAL middle . . 76 A 76 TYR middle . . 77 A 77 HIS middle . . 78 A 78 GLN middle . . 79 A 79 GLN middle . . 80 A 80 GLU middle . . 81 A 81 GLU middle . . 82 A 82 GLN middle . . 83 A 83 GLY middle . false 84 A 84 GLU middle . . 85 A 85 GLU middle . . 86 A 86 THR middle . . 87 A 87 PRO middle . false 88 A 88 ARG middle . . 89 A 89 SER middle . . 90 A 90 HIS middle . . 91 A 91 HIS middle . . 92 A 92 HIS middle . . 93 A 93 HIS middle . . 94 A 94 HIS middle . . 95 A 95 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 3 THR HA H 1 4.135 0.035 A 3 THR HB H 1 4.027 0.035 A 3 THR HG2% H 1 1.062 0.035 A 3 THR CA C 13 62.947 0.4 A 3 THR CB C 13 69.616 0.4 A 3 THR CG2 C 13 21.686 0.4 A 4 ASN H H 1 8.724 0.035 A 4 ASN HA H 1 4.726 0.035 A 4 ASN HBx H 1 2.840 0.035 A 4 ASN HBy H 1 2.914 0.035 A 4 ASN HD21 H 1 6.888 0.035 A 4 ASN HD22 H 1 7.601 0.035 A 4 ASN CA C 13 53.638 0.4 A 4 ASN CB C 13 38.463 0.4 A 4 ASN N N 15 120.135 0.4 A 4 ASN ND2 N 15 112.831 0.4 A 5 TRP H H 1 7.885 0.035 A 5 TRP HA H 1 4.626 0.035 A 5 TRP HBx H 1 3.038 0.035 A 5 TRP HBy H 1 3.149 0.035 A 5 TRP HD1 H 1 7.070 0.035 A 5 TRP HE1 H 1 10.060 0.035 A 5 TRP HE3 H 1 7.151 0.035 A 5 TRP HH2 H 1 7.005 0.035 A 5 TRP HZ2 H 1 7.208 0.035 A 5 TRP HZ3 H 1 6.873 0.035 A 5 TRP CA C 13 57.772 0.4 A 5 TRP CB C 13 29.618 0.4 A 5 TRP CD1 C 13 125.822 0.4 A 5 TRP CE3 C 13 120.093 0.4 A 5 TRP CH2 C 13 124.754 0.4 A 5 TRP CZ2 C 13 114.364 0.4 A 5 TRP CZ3 C 13 121.646 0.4 A 5 TRP N N 15 121.516 0.4 A 5 TRP NE1 N 15 128.970 0.4 A 6 GLN H H 1 8.523 0.035 A 6 GLN HA H 1 4.450 0.035 A 6 GLN HBx H 1 1.706 0.035 A 6 GLN HBy H 1 2.007 0.035 A 6 GLN HE21 H 1 6.705 0.035 A 6 GLN HE22 H 1 7.339 0.035 A 6 GLN HGx H 1 1.998 0.035 A 6 GLN HGy H 1 2.187 0.035 A 6 GLN CA C 13 54.990 0.4 A 6 GLN CB C 13 30.924 0.4 A 6 GLN CG C 13 33.431 0.4 A 6 GLN N N 15 120.967 0.4 A 6 GLN NE2 N 15 112.253 0.4 A 7 VAL H H 1 8.134 0.035 A 7 VAL HA H 1 5.168 0.035 A 7 VAL HB H 1 1.848 0.035 A 7 VAL HGx% H 1 0.860 0.035 A 7 VAL HGy% H 1 0.770 0.035 A 7 VAL CA C 13 60.428 0.4 A 7 VAL CB C 13 34.812 0.4 A 7 VAL CGy C 13 21.350 0.4 A 7 VAL CGx C 13 20.890 0.4 A 7 VAL N N 15 120.124 0.4 A 8 CYS H H 1 9.123 0.035 A 8 CYS HA H 1 4.818 0.035 A 8 CYS HBx H 1 2.687 0.035 A 8 CYS HBy H 1 2.687 0.035 A 8 CYS CA C 13 56.980 0.4 A 8 CYS CB C 13 31.096 0.4 A 8 CYS N N 15 123.223 0.4 A 9 SER H H 1 8.570 0.035 A 9 SER HA H 1 5.446 0.035 A 9 SER HBx H 1 3.551 0.035 A 9 SER HBy H 1 3.639 0.035 A 9 SER CA C 13 57.716 0.4 A 9 SER CB C 13 65.128 0.4 A 9 SER N N 15 116.767 0.4 A 10 LEU H H 1 9.527 0.035 A 10 LEU HA H 1 5.196 0.035 A 10 LEU HBx H 1 1.187 0.035 A 10 LEU HBy H 1 1.583 0.035 A 10 LEU HD1% H 1 0.640 0.035 A 10 LEU HD2% H 1 0.657 0.035 A 10 LEU HG H 1 1.565 0.035 A 10 LEU CA C 13 52.630 0.4 A 10 LEU CB C 13 44.464 0.4 A 10 LEU CD1 C 13 25.894 0.4 A 10 LEU CD2 C 13 24.288 0.4 A 10 LEU CG C 13 26.857 0.4 A 10 LEU N N 15 122.417 0.4 A 11 VAL H H 1 8.965 0.035 A 11 VAL HA H 1 4.486 0.035 A 11 VAL HB H 1 1.891 0.035 A 11 VAL HG1% H 1 0.724 0.035 A 11 VAL HG2% H 1 0.782 0.035 A 11 VAL CA C 13 62.109 0.4 A 11 VAL CB C 13 32.002 0.4 A 11 VAL CG1 C 13 21.080 0.4 A 11 VAL CG2 C 13 20.634 0.4 A 11 VAL N N 15 122.861 0.4 A 12 VAL H H 1 9.318 0.035 A 12 VAL HA H 1 4.591 0.035 A 12 VAL HB H 1 1.939 0.035 A 12 VAL HG1% H 1 0.765 0.035 A 12 VAL HG2% H 1 0.725 0.035 A 12 VAL CA C 13 61.155 0.4 A 12 VAL CB C 13 33.988 0.4 A 12 VAL CG1 C 13 22.058 0.4 A 12 VAL CG2 C 13 22.058 0.4 A 12 VAL N N 15 130.942 0.4 A 13 GLN H H 1 8.692 0.035 A 13 GLN HA H 1 5.060 0.035 A 13 GLN HBx H 1 1.876 0.035 A 13 GLN HBy H 1 2.076 0.035 A 13 GLN HE21 H 1 6.784 0.035 A 13 GLN HE22 H 1 7.484 0.035 A 13 GLN HGx H 1 2.290 0.035 A 13 GLN HGy H 1 2.290 0.035 A 13 GLN CA C 13 54.116 0.4 A 13 GLN CB C 13 30.527 0.4 A 13 GLN CG C 13 33.978 0.4 A 13 GLN N N 15 125.930 0.4 A 13 GLN NE2 N 15 112.369 0.4 A 14 ALA H H 1 9.088 0.035 A 14 ALA HA H 1 4.886 0.035 A 14 ALA HB% H 1 1.048 0.035 A 14 ALA CA C 13 50.501 0.4 A 14 ALA CB C 13 23.616 0.4 A 14 ALA N N 15 128.264 0.4 A 15 LYS H H 1 8.455 0.035 A 15 LYS HA H 1 4.205 0.035 A 15 LYS HBx H 1 1.517 0.035 A 15 LYS HBy H 1 1.957 0.035 A 15 LYS HDx H 1 1.696 0.035 A 15 LYS HDy H 1 1.696 0.035 A 15 LYS HEx H 1 2.973 0.035 A 15 LYS HEy H 1 2.973 0.035 A 15 LYS HGx H 1 1.514 0.035 A 15 LYS HGy H 1 1.610 0.035 A 15 LYS CA C 13 56.768 0.4 A 15 LYS CB C 13 32.627 0.4 A 15 LYS CD C 13 29.272 0.4 A 15 LYS CE C 13 41.969 0.4 A 15 LYS CG C 13 25.128 0.4 A 15 LYS N N 15 119.579 0.4 A 16 SER H H 1 8.727 0.035 A 16 SER HA H 1 3.959 0.035 A 16 SER HBx H 1 3.831 0.035 A 16 SER HBy H 1 3.831 0.035 A 16 SER CA C 13 63.066 0.4 A 16 SER CB C 13 63.537 0.4 A 16 SER N N 15 121.214 0.4 A 17 GLU H H 1 9.708 0.035 A 17 GLU HA H 1 4.202 0.035 A 17 GLU HBx H 1 2.039 0.035 A 17 GLU HBy H 1 2.039 0.035 A 17 GLU HGx H 1 2.324 0.035 A 17 GLU HGy H 1 2.324 0.035 A 17 GLU CA C 13 58.615 0.4 A 17 GLU CB C 13 28.442 0.4 A 17 GLU CG C 13 36.165 0.4 A 17 GLU N N 15 118.853 0.4 A 18 ARG H H 1 7.827 0.035 A 18 ARG HA H 1 4.703 0.035 A 18 ARG HBx H 1 1.696 0.035 A 18 ARG HBy H 1 2.201 0.035 A 18 ARG HDx H 1 3.201 0.035 A 18 ARG HDy H 1 3.201 0.035 A 18 ARG HGx H 1 1.516 0.035 A 18 ARG HGy H 1 1.710 0.035 A 18 ARG CA C 13 54.249 0.4 A 18 ARG CB C 13 30.736 0.4 A 18 ARG CD C 13 42.245 0.4 A 18 ARG CG C 13 27.009 0.4 A 18 ARG N N 15 117.124 0.4 A 19 ILE H H 1 7.259 0.035 A 19 ILE HA H 1 3.501 0.035 A 19 ILE HB H 1 1.978 0.035 A 19 ILE HD1% H 1 0.562 0.035 A 19 ILE HG1x H 1 1.383 0.035 A 19 ILE HG1y H 1 1.446 0.035 A 19 ILE HG2% H 1 0.786 0.035 A 19 ILE CA C 13 64.808 0.4 A 19 ILE CB C 13 36.814 0.4 A 19 ILE CD1 C 13 12.233 0.4 A 19 ILE CG1 C 13 29.672 0.4 A 19 ILE CG2 C 13 16.740 0.4 A 19 ILE N N 15 120.663 0.4 A 20 SER HA H 1 4.135 0.035 A 20 SER HBx H 1 3.865 0.035 A 20 SER HBy H 1 3.865 0.035 A 20 SER CA C 13 62.175 0.4 A 20 SER CB C 13 64.000 0.4 A 21 ASP H H 1 7.939 0.035 A 21 ASP HA H 1 4.390 0.035 A 21 ASP HBx H 1 2.651 0.035 A 21 ASP HBy H 1 2.651 0.035 A 21 ASP CA C 13 57.264 0.4 A 21 ASP CB C 13 40.997 0.4 A 21 ASP N N 15 122.543 0.4 A 22 ILE H H 1 8.481 0.035 A 22 ILE HA H 1 3.497 0.035 A 22 ILE HB H 1 1.543 0.035 A 22 ILE HD1% H 1 0.585 0.035 A 22 ILE HG1x H 1 0.916 0.035 A 22 ILE HG1y H 1 1.760 0.035 A 22 ILE HG2% H 1 0.568 0.035 A 22 ILE CA C 13 65.574 0.4 A 22 ILE CB C 13 38.420 0.4 A 22 ILE CD1 C 13 15.458 0.4 A 22 ILE CG1 C 13 29.266 0.4 A 22 ILE CG2 C 13 17.531 0.4 A 22 ILE N N 15 121.035 0.4 A 23 SER H H 1 8.477 0.035 A 23 SER HA H 1 3.808 0.035 A 23 SER HBx H 1 3.891 0.035 A 23 SER HBy H 1 3.948 0.035 A 23 SER CA C 13 62.709 0.4 A 23 SER CB C 13 62.877 0.4 A 23 SER N N 15 115.223 0.4 A 24 THR H H 1 7.584 0.035 A 24 THR HA H 1 3.869 0.035 A 24 THR HB H 1 4.235 0.035 A 24 THR HG2% H 1 1.198 0.035 A 24 THR CA C 13 66.352 0.4 A 24 THR CB C 13 68.805 0.4 A 24 THR CG2 C 13 21.868 0.4 A 24 THR N N 15 116.123 0.4 A 25 GLN H H 1 7.620 0.035 A 25 GLN HA H 1 3.923 0.035 A 25 GLN HBx H 1 1.941 0.035 A 25 GLN HBy H 1 2.035 0.035 A 25 GLN HE21 H 1 6.946 0.035 A 25 GLN HE22 H 1 7.141 0.035 A 25 GLN HGx H 1 2.187 0.035 A 25 GLN HGy H 1 2.387 0.035 A 25 GLN CA C 13 59.131 0.4 A 25 GLN CB C 13 29.129 0.4 A 25 GLN CG C 13 34.581 0.4 A 25 GLN N N 15 120.689 0.4 A 25 GLN NE2 N 15 111.443 0.4 A 26 LEU H H 1 8.423 0.035 A 26 LEU HA H 1 3.467 0.035 A 26 LEU HBx H 1 0.949 0.035 A 26 LEU HBy H 1 1.570 0.035 A 26 LEU HD1% H 1 0.584 0.035 A 26 LEU HD2% H 1 0.505 0.035 A 26 LEU HG H 1 1.775 0.035 A 26 LEU CA C 13 57.355 0.4 A 26 LEU CB C 13 41.098 0.4 A 26 LEU CD1 C 13 26.865 0.4 A 26 LEU CD2 C 13 24.434 0.4 A 26 LEU CG C 13 26.713 0.4 A 26 LEU N N 15 117.907 0.4 A 27 ASN H H 1 7.608 0.035 A 27 ASN HA H 1 4.586 0.035 A 27 ASN HBx H 1 2.770 0.035 A 27 ASN HBy H 1 2.770 0.035 A 27 ASN HD21 H 1 6.990 0.035 A 27 ASN HD22 H 1 7.176 0.035 A 27 ASN CA C 13 54.236 0.4 A 27 ASN CB C 13 38.857 0.4 A 27 ASN N N 15 113.646 0.4 A 27 ASN ND2 N 15 111.154 0.4 A 28 ALA H H 1 7.182 0.035 A 28 ALA HA H 1 4.476 0.035 A 28 ALA HB% H 1 1.417 0.035 A 28 ALA CA C 13 51.664 0.4 A 28 ALA CB C 13 19.156 0.4 A 28 ALA N N 15 119.326 0.4 A 29 PHE H H 1 7.709 0.035 A 29 PHE HA H 1 4.954 0.035 A 29 PHE HBx H 1 3.066 0.035 A 29 PHE HBy H 1 3.578 0.035 A 29 PHE HDx H 1 7.238 0.035 A 29 PHE HDy H 1 7.238 0.035 A 29 PHE HEx H 1 7.069 0.035 A 29 PHE HEy H 1 7.069 0.035 A 29 PHE HZ H 1 6.995 0.035 A 29 PHE CA C 13 54.220 0.4 A 29 PHE CB C 13 37.590 0.4 A 29 PHE CDx C 13 130.386 0.4 A 29 PHE CDy C 13 130.386 0.4 A 29 PHE CEx C 13 131.066 0.4 A 29 PHE CEy C 13 131.066 0.4 A 29 PHE CZ C 13 129.027 0.4 A 29 PHE N N 15 123.584 0.4 A 30 PRO HA H 1 4.342 0.035 A 30 PRO HBx H 1 1.940 0.035 A 30 PRO HBy H 1 2.290 0.035 A 30 PRO HDx H 1 3.575 0.035 A 30 PRO HDy H 1 4.004 0.035 A 30 PRO HGx H 1 2.004 0.035 A 30 PRO HGy H 1 2.128 0.035 A 30 PRO CA C 13 63.878 0.4 A 30 PRO CB C 13 31.738 0.4 A 30 PRO CD C 13 50.635 0.4 A 30 PRO CG C 13 27.931 0.4 A 31 GLY H H 1 8.832 0.035 A 31 GLY HAx H 1 3.960 0.035 A 31 GLY HAy H 1 4.410 0.035 A 31 GLY CA C 13 46.087 0.4 A 31 GLY N N 15 112.277 0.4 A 32 CYS H H 1 7.454 0.035 A 32 CYS HA H 1 5.418 0.035 A 32 CYS HBx H 1 2.264 0.035 A 32 CYS HBy H 1 3.230 0.035 A 32 CYS CA C 13 58.931 0.4 A 32 CYS CB C 13 31.119 0.4 A 32 CYS N N 15 116.177 0.4 A 33 GLU H H 1 8.538 0.035 A 33 GLU HA H 1 4.646 0.035 A 33 GLU HBx H 1 1.876 0.035 A 33 GLU HBy H 1 1.876 0.035 A 33 GLU HGx H 1 1.973 0.035 A 33 GLU HGy H 1 2.166 0.035 A 33 GLU CA C 13 55.543 0.4 A 33 GLU CB C 13 33.373 0.4 A 33 GLU CG C 13 36.175 0.4 A 33 GLU N N 15 121.088 0.4 A 34 VAL H H 1 9.150 0.035 A 34 VAL HA H 1 4.070 0.035 A 34 VAL HB H 1 2.030 0.035 A 34 VAL HG1% H 1 0.788 0.035 A 34 VAL HG2% H 1 0.892 0.035 A 34 VAL CA C 13 63.644 0.4 A 34 VAL CB C 13 31.479 0.4 A 34 VAL CG1 C 13 22.176 0.4 A 34 VAL CG2 C 13 22.517 0.4 A 34 VAL N N 15 127.412 0.4 A 35 ALA H H 1 8.974 0.035 A 35 ALA HA H 1 4.395 0.035 A 35 ALA HB% H 1 1.309 0.035 A 35 ALA CA C 13 53.299 0.4 A 35 ALA CB C 13 20.519 0.4 A 35 ALA N N 15 133.872 0.4 A 36 VAL H H 1 7.707 0.035 A 36 VAL HA H 1 4.188 0.035 A 36 VAL HB H 1 1.849 0.035 A 36 VAL HGx% H 1 0.849 0.035 A 36 VAL HGy% H 1 0.844 0.035 A 36 VAL CA C 13 61.553 0.4 A 36 VAL CB C 13 35.380 0.4 A 36 VAL CGy C 13 21.244 0.4 A 36 VAL CGx C 13 20.923 0.4 A 36 VAL N N 15 116.561 0.4 A 37 SER H H 1 8.525 0.035 A 37 SER HA H 1 4.661 0.035 A 37 SER HBx H 1 3.526 0.035 A 37 SER HBy H 1 3.612 0.035 A 37 SER CA C 13 57.132 0.4 A 37 SER CB C 13 64.497 0.4 A 37 SER N N 15 120.474 0.4 A 38 ASP H H 1 8.570 0.035 A 38 ASP HA H 1 4.890 0.035 A 38 ASP HBx H 1 2.340 0.035 A 38 ASP HBy H 1 2.768 0.035 A 38 ASP CA C 13 53.027 0.4 A 38 ASP CB C 13 42.007 0.4 A 38 ASP N N 15 125.327 0.4 A 39 ALA H H 1 8.950 0.035 A 39 ALA HA H 1 4.214 0.035 A 39 ALA HB% H 1 1.445 0.035 A 39 ALA CA C 13 56.282 0.4 A 39 ALA CB C 13 15.911 0.4 A 39 ALA N N 15 127.215 0.4 A 40 PRO HA H 1 4.256 0.035 A 40 PRO HBx H 1 1.848 0.035 A 40 PRO HBy H 1 2.299 0.035 A 40 PRO HDx H 1 3.714 0.035 A 40 PRO HDy H 1 3.853 0.035 A 40 PRO HGx H 1 1.896 0.035 A 40 PRO HGy H 1 2.116 0.035 A 40 PRO CA C 13 66.180 0.4 A 40 PRO CB C 13 31.211 0.4 A 40 PRO CD C 13 50.478 0.4 A 40 PRO CG C 13 28.291 0.4 A 41 SER H H 1 7.393 0.035 A 41 SER HA H 1 4.462 0.035 A 41 SER HBx H 1 3.803 0.035 A 41 SER HBy H 1 3.803 0.035 A 41 SER CA C 13 58.442 0.4 A 41 SER CB C 13 63.784 0.4 A 41 SER N N 15 109.128 0.4 A 42 GLY H H 1 8.255 0.035 A 42 GLY HAx H 1 3.508 0.035 A 42 GLY HAy H 1 4.173 0.035 A 42 GLY CA C 13 46.542 0.4 A 42 GLY N N 15 112.601 0.4 A 43 GLN H H 1 7.647 0.035 A 43 GLN HA H 1 5.374 0.035 A 43 GLN HBx H 1 1.735 0.035 A 43 GLN HBy H 1 1.821 0.035 A 43 GLN HE21 H 1 6.621 0.035 A 43 GLN HE22 H 1 7.334 0.035 A 43 GLN HGx H 1 1.953 0.035 A 43 GLN HGy H 1 2.160 0.035 A 43 GLN CA C 13 54.752 0.4 A 43 GLN CB C 13 33.228 0.4 A 43 GLN CG C 13 34.756 0.4 A 43 GLN N N 15 116.613 0.4 A 43 GLN NE2 N 15 110.113 0.4 A 44 LEU H H 1 8.943 0.035 A 44 LEU HA H 1 4.935 0.035 A 44 LEU HBx H 1 1.462 0.035 A 44 LEU HBy H 1 1.462 0.035 A 44 LEU HD1% H 1 0.633 0.035 A 44 LEU HD2% H 1 0.755 0.035 A 44 LEU HG H 1 1.493 0.035 A 44 LEU CA C 13 53.888 0.4 A 44 LEU CB C 13 45.417 0.4 A 44 LEU CD1 C 13 26.856 0.4 A 44 LEU CD2 C 13 26.377 0.4 A 44 LEU CG C 13 27.174 0.4 A 44 LEU N N 15 121.818 0.4 A 45 ILE H H 1 8.702 0.035 A 45 ILE HA H 1 5.124 0.035 A 45 ILE HB H 1 1.705 0.035 A 45 ILE HD1% H 1 0.732 0.035 A 45 ILE HG1x H 1 1.119 0.035 A 45 ILE HG1y H 1 1.414 0.035 A 45 ILE HG2% H 1 0.761 0.035 A 45 ILE CA C 13 59.894 0.4 A 45 ILE CB C 13 38.897 0.4 A 45 ILE CD1 C 13 12.082 0.4 A 45 ILE CG1 C 13 27.193 0.4 A 45 ILE CG2 C 13 16.885 0.4 A 45 ILE N N 15 121.357 0.4 A 46 VAL H H 1 9.146 0.035 A 46 VAL HA H 1 4.766 0.035 A 46 VAL HB H 1 1.833 0.035 A 46 VAL HG1% H 1 0.748 0.035 A 46 VAL HG2% H 1 0.764 0.035 A 46 VAL CA C 13 59.758 0.4 A 46 VAL CB C 13 35.278 0.4 A 46 VAL CG1 C 13 21.247 0.4 A 46 VAL CG2 C 13 22.537 0.4 A 46 VAL N N 15 127.880 0.4 A 47 VAL H H 1 9.089 0.035 A 47 VAL HA H 1 4.538 0.035 A 47 VAL HB H 1 1.966 0.035 A 47 VAL HG1% H 1 0.828 0.035 A 47 VAL HG2% H 1 0.887 0.035 A 47 VAL CA C 13 62.422 0.4 A 47 VAL CB C 13 32.877 0.4 A 47 VAL CG1 C 13 21.215 0.4 A 47 VAL CG2 C 13 21.238 0.4 A 47 VAL N N 15 128.815 0.4 A 48 VAL H H 1 8.873 0.035 A 48 VAL HA H 1 5.021 0.035 A 48 VAL HB H 1 1.876 0.035 A 48 VAL HG1% H 1 0.781 0.035 A 48 VAL HG2% H 1 0.801 0.035 A 48 VAL CA C 13 60.300 0.4 A 48 VAL CB C 13 34.554 0.4 A 48 VAL CG1 C 13 21.878 0.4 A 48 VAL CG2 C 13 21.243 0.4 A 48 VAL N N 15 127.821 0.4 A 49 GLU H H 1 8.873 0.035 A 49 GLU HA H 1 5.416 0.035 A 49 GLU HBx H 1 2.021 0.035 A 49 GLU HBy H 1 2.021 0.035 A 49 GLU HGx H 1 2.340 0.035 A 49 GLU HGy H 1 2.340 0.035 A 49 GLU CA C 13 53.827 0.4 A 49 GLU CB C 13 32.801 0.4 A 49 GLU CG C 13 35.851 0.4 A 49 GLU N N 15 124.353 0.4 A 50 ALA H H 1 8.783 0.035 A 50 ALA HA H 1 4.422 0.035 A 50 ALA HB% H 1 1.228 0.035 A 50 ALA CA C 13 51.107 0.4 A 50 ALA CB C 13 23.080 0.4 A 50 ALA N N 15 122.886 0.4 A 51 GLU H H 1 8.521 0.035 A 51 GLU HA H 1 3.118 0.035 A 51 GLU HBx H 1 1.412 0.035 A 51 GLU HBy H 1 1.495 0.035 A 51 GLU HGx H 1 1.744 0.035 A 51 GLU HGy H 1 1.816 0.035 A 51 GLU CA C 13 58.091 0.4 A 51 GLU CB C 13 30.108 0.4 A 51 GLU CG C 13 36.161 0.4 A 51 GLU N N 15 119.284 0.4 A 52 ASP H H 1 7.165 0.035 A 52 ASP HA H 1 4.592 0.035 A 52 ASP HBx H 1 2.750 0.035 A 52 ASP HBy H 1 2.940 0.035 A 52 ASP CA C 13 52.215 0.4 A 52 ASP CB C 13 42.851 0.4 A 52 ASP N N 15 111.639 0.4 A 53 SER H H 1 8.692 0.035 A 53 SER HA H 1 3.966 0.035 A 53 SER HBx H 1 3.827 0.035 A 53 SER HBy H 1 3.827 0.035 A 53 SER CA C 13 61.902 0.4 A 53 SER CB C 13 62.965 0.4 A 53 SER N N 15 115.722 0.4 A 54 GLU H H 1 8.553 0.035 A 54 GLU HA H 1 3.937 0.035 A 54 GLU HBx H 1 1.882 0.035 A 54 GLU HBy H 1 2.011 0.035 A 54 GLU HGx H 1 2.209 0.035 A 54 GLU HGy H 1 2.247 0.035 A 54 GLU CA C 13 60.064 0.4 A 54 GLU CB C 13 28.915 0.4 A 54 GLU CG C 13 36.787 0.4 A 54 GLU N N 15 122.394 0.4 A 55 THR H H 1 8.494 0.035 A 55 THR HA H 1 3.848 0.035 A 55 THR HB H 1 3.963 0.035 A 55 THR HG2% H 1 1.205 0.035 A 55 THR CA C 13 66.336 0.4 A 55 THR CB C 13 67.889 0.4 A 55 THR CG2 C 13 21.702 0.4 A 55 THR N N 15 116.925 0.4 A 56 LEU H H 1 7.644 0.035 A 56 LEU HA H 1 3.711 0.035 A 56 LEU HBx H 1 1.345 0.035 A 56 LEU HBy H 1 2.003 0.035 A 56 LEU HD1% H 1 0.720 0.035 A 56 LEU HD2% H 1 0.803 0.035 A 56 LEU HG H 1 1.433 0.035 A 56 LEU CA C 13 59.172 0.4 A 56 LEU CB C 13 41.811 0.4 A 56 LEU CD1 C 13 23.959 0.4 A 56 LEU CD2 C 13 25.890 0.4 A 56 LEU CG C 13 26.826 0.4 A 56 LEU N N 15 124.682 0.4 A 57 ILE H H 1 7.992 0.035 A 57 ILE HA H 1 3.568 0.035 A 57 ILE HB H 1 1.912 0.035 A 57 ILE HD1% H 1 0.771 0.035 A 57 ILE HG1x H 1 1.253 0.035 A 57 ILE HG1y H 1 1.596 0.035 A 57 ILE HG2% H 1 0.884 0.035 A 57 ILE CA C 13 64.816 0.4 A 57 ILE CB C 13 37.678 0.4 A 57 ILE CD1 C 13 12.409 0.4 A 57 ILE CG1 C 13 29.268 0.4 A 57 ILE CG2 C 13 17.388 0.4 A 57 ILE N N 15 117.933 0.4 A 58 GLN H H 1 7.753 0.035 A 58 GLN HA H 1 4.009 0.035 A 58 GLN HBx H 1 2.129 0.035 A 58 GLN HBy H 1 2.129 0.035 A 58 GLN HGx H 1 2.351 0.035 A 58 GLN HGy H 1 2.437 0.035 A 58 GLN CA C 13 58.814 0.4 A 58 GLN CB C 13 28.356 0.4 A 58 GLN CG C 13 33.952 0.4 A 58 GLN N N 15 119.348 0.4 A 59 THR H H 1 8.390 0.035 A 59 THR HA H 1 3.754 0.035 A 59 THR HB H 1 4.282 0.035 A 59 THR HG2% H 1 1.067 0.035 A 59 THR CA C 13 67.194 0.4 A 59 THR CB C 13 68.183 0.4 A 59 THR CG2 C 13 22.214 0.4 A 59 THR N N 15 119.195 0.4 A 60 ILE H H 1 8.347 0.035 A 60 ILE HA H 1 3.237 0.035 A 60 ILE HB H 1 1.849 0.035 A 60 ILE HD1% H 1 0.733 0.035 A 60 ILE HG1x H 1 0.744 0.035 A 60 ILE HG1y H 1 1.793 0.035 A 60 ILE HG2% H 1 0.752 0.035 A 60 ILE CA C 13 67.042 0.4 A 60 ILE CB C 13 37.753 0.4 A 60 ILE CD1 C 13 14.304 0.4 A 60 ILE CG1 C 13 29.422 0.4 A 60 ILE CG2 C 13 17.045 0.4 A 60 ILE N N 15 122.491 0.4 A 61 GLU H H 1 7.955 0.035 A 61 GLU HA H 1 3.926 0.035 A 61 GLU HBx H 1 1.994 0.035 A 61 GLU HBy H 1 2.026 0.035 A 61 GLU CA C 13 59.208 0.4 A 61 GLU CB C 13 28.795 0.4 A 61 GLU N N 15 118.471 0.4 A 62 SER H H 1 7.972 0.035 A 62 SER HA H 1 4.105 0.035 A 62 SER HBx H 1 3.479 0.035 A 62 SER HBy H 1 3.857 0.035 A 62 SER CA C 13 62.280 0.4 A 62 SER CB C 13 62.479 0.4 A 62 SER N N 15 115.878 0.4 A 63 VAL H H 1 8.003 0.035 A 63 VAL HA H 1 3.487 0.035 A 63 VAL HB H 1 2.240 0.035 A 63 VAL HG1% H 1 0.740 0.035 A 63 VAL HG2% H 1 0.899 0.035 A 63 VAL CA C 13 67.008 0.4 A 63 VAL CB C 13 31.077 0.4 A 63 VAL CG1 C 13 22.041 0.4 A 63 VAL CG2 C 13 22.551 0.4 A 63 VAL N N 15 123.447 0.4 A 64 ARG H H 1 7.940 0.035 A 64 ARG HA H 1 3.699 0.035 A 64 ARG HBx H 1 1.778 0.035 A 64 ARG HBy H 1 1.804 0.035 A 64 ARG HDx H 1 3.126 0.035 A 64 ARG HDy H 1 3.126 0.035 A 64 ARG HGx H 1 1.497 0.035 A 64 ARG HGy H 1 1.660 0.035 A 64 ARG CA C 13 58.871 0.4 A 64 ARG CB C 13 30.531 0.4 A 64 ARG CD C 13 43.404 0.4 A 64 ARG CG C 13 28.611 0.4 A 64 ARG N N 15 115.299 0.4 A 65 ASN H H 1 7.210 0.035 A 65 ASN HA H 1 4.656 0.035 A 65 ASN HBx H 1 2.627 0.035 A 65 ASN HBy H 1 2.975 0.035 A 65 ASN HD21 H 1 6.868 0.035 A 65 ASN HD22 H 1 7.501 0.035 A 65 ASN CA C 13 53.262 0.4 A 65 ASN CB C 13 39.886 0.4 A 65 ASN N N 15 113.089 0.4 A 65 ASN ND2 N 15 113.641 0.4 A 66 VAL H H 1 7.414 0.035 A 66 VAL HA H 1 3.738 0.035 A 66 VAL HB H 1 2.165 0.035 A 66 VAL HG1% H 1 0.855 0.035 A 66 VAL HG2% H 1 1.180 0.035 A 66 VAL CA C 13 64.090 0.4 A 66 VAL CB C 13 31.453 0.4 A 66 VAL CG1 C 13 22.359 0.4 A 66 VAL CG2 C 13 23.662 0.4 A 66 VAL N N 15 124.826 0.4 A 67 GLU H H 1 8.695 0.035 A 67 GLU HA H 1 3.960 0.035 A 67 GLU HBx H 1 1.937 0.035 A 67 GLU HBy H 1 2.020 0.035 A 67 GLU HGx H 1 2.150 0.035 A 67 GLU HGy H 1 2.258 0.035 A 67 GLU CA C 13 58.692 0.4 A 67 GLU CB C 13 29.169 0.4 A 67 GLU CG C 13 36.171 0.4 A 67 GLU N N 15 130.629 0.4 A 68 GLY H H 1 8.698 0.035 A 68 GLY HAx H 1 3.440 0.035 A 68 GLY HAy H 1 4.236 0.035 A 68 GLY CA C 13 44.748 0.4 A 68 GLY N N 15 114.081 0.4 A 69 VAL H H 1 7.839 0.035 A 69 VAL HA H 1 3.736 0.035 A 69 VAL HB H 1 2.303 0.035 A 69 VAL HGx% H 1 0.801 0.035 A 69 VAL HGy% H 1 0.801 0.035 A 69 VAL CA C 13 64.889 0.4 A 69 VAL CB C 13 31.142 0.4 A 69 VAL CGy C 13 22.868 0.4 A 69 VAL CGx C 13 22.844 0.4 A 69 VAL N N 15 120.636 0.4 A 70 LEU H H 1 9.280 0.035 A 70 LEU HA H 1 4.360 0.035 A 70 LEU HBx H 1 1.366 0.035 A 70 LEU HBy H 1 1.447 0.035 A 70 LEU HD1% H 1 0.755 0.035 A 70 LEU HD2% H 1 0.755 0.035 A 70 LEU HG H 1 1.633 0.035 A 70 LEU CA C 13 55.617 0.4 A 70 LEU CB C 13 43.220 0.4 A 70 LEU CD1 C 13 25.253 0.4 A 70 LEU CD2 C 13 22.352 0.4 A 70 LEU CG C 13 26.854 0.4 A 70 LEU N N 15 129.879 0.4 A 71 ALA H H 1 7.680 0.035 A 71 ALA HA H 1 4.448 0.035 A 71 ALA HB% H 1 1.340 0.035 A 71 ALA CA C 13 52.359 0.4 A 71 ALA CB C 13 21.839 0.4 A 71 ALA N N 15 119.157 0.4 A 72 VAL H H 1 8.436 0.035 A 72 VAL HA H 1 4.871 0.035 A 72 VAL HB H 1 1.804 0.035 A 72 VAL HGx% H 1 0.773 0.035 A 72 VAL HGy% H 1 0.773 0.035 A 72 VAL CA C 13 61.167 0.4 A 72 VAL CB C 13 35.308 0.4 A 72 VAL CGx C 13 22.646 0.4 A 72 VAL CGy C 13 22.669 0.4 A 72 VAL N N 15 118.236 0.4 A 73 SER H H 1 8.695 0.035 A 73 SER HA H 1 4.781 0.035 A 73 SER HBx H 1 3.661 0.035 A 73 SER HBy H 1 3.777 0.035 A 73 SER CA C 13 56.921 0.4 A 73 SER CB C 13 65.144 0.4 A 73 SER N N 15 121.195 0.4 A 74 LEU H H 1 8.561 0.035 A 74 LEU HA H 1 4.592 0.035 A 74 LEU HBx H 1 1.372 0.035 A 74 LEU HBy H 1 1.372 0.035 A 74 LEU HD1% H 1 0.756 0.035 A 74 LEU HD2% H 1 0.713 0.035 A 74 LEU HG H 1 1.385 0.035 A 74 LEU CA C 13 55.599 0.4 A 74 LEU CB C 13 43.434 0.4 A 74 LEU CD1 C 13 24.937 0.4 A 74 LEU CD2 C 13 25.418 0.4 A 74 LEU CG C 13 28.291 0.4 A 74 LEU N N 15 126.016 0.4 A 75 VAL H H 1 8.597 0.035 A 75 VAL HA H 1 4.050 0.035 A 75 VAL HB H 1 1.858 0.035 A 75 VAL HGx% H 1 0.721 0.035 A 75 VAL HGy% H 1 0.721 0.035 A 75 VAL CA C 13 62.246 0.4 A 75 VAL CB C 13 33.389 0.4 A 75 VAL CGy C 13 21.081 0.4 A 75 VAL CGx C 13 21.057 0.4 A 75 VAL N N 15 124.764 0.4 A 76 TYR H H 1 8.439 0.035 A 76 TYR HA H 1 4.611 0.035 A 76 TYR HBx H 1 2.791 0.035 A 76 TYR HBy H 1 2.934 0.035 A 76 TYR HD1 H 1 7.026 0.035 A 76 TYR HD2 H 1 7.026 0.035 A 76 TYR HE1 H 1 6.643 0.035 A 76 TYR HE2 H 1 6.643 0.035 A 76 TYR CA C 13 57.999 0.4 A 76 TYR CB C 13 39.328 0.4 A 76 TYR CD1 C 13 133.008 0.4 A 76 TYR CD2 C 13 133.008 0.4 A 76 TYR CE1 C 13 118.151 0.4 A 76 TYR CE2 C 13 118.151 0.4 A 76 TYR N N 15 125.445 0.4 A 77 HIS H H 1 8.430 0.035 A 77 HIS HA H 1 4.264 0.035 A 77 HIS HBx H 1 1.980 0.035 A 77 HIS HBy H 1 1.980 0.035 A 77 HIS CA C 13 55.857 0.4 A 77 HIS CB C 13 29.708 0.4 A 77 HIS N N 15 122.665 0.4 A 78 GLN H H 1 8.526 0.035 A 78 GLN N N 15 122.606 0.4 A 81 GLU HA H 1 4.240 0.035 A 81 GLU HBx H 1 1.880 0.035 A 81 GLU HBy H 1 1.996 0.035 A 81 GLU CA C 13 56.559 0.4 A 81 GLU CB C 13 30.375 0.4 A 82 GLN H H 1 8.451 0.035 A 82 GLN HA H 1 4.289 0.035 A 82 GLN HBx H 1 1.926 0.035 A 82 GLN HBy H 1 2.031 0.035 A 82 GLN HGx H 1 2.295 0.035 A 82 GLN HGy H 1 2.295 0.035 A 82 GLN CA C 13 55.873 0.4 A 82 GLN CB C 13 29.586 0.4 A 82 GLN CG C 13 33.837 0.4 A 82 GLN N N 15 121.600 0.4 A 83 GLY H H 1 8.404 0.035 A 83 GLY HAx H 1 3.906 0.035 A 83 GLY HAy H 1 3.952 0.035 A 83 GLY CA C 13 45.201 0.4 A 83 GLY N N 15 110.355 0.4 A 84 GLU H H 1 8.297 0.035 A 84 GLU HA H 1 4.233 0.035 A 84 GLU CA C 13 56.500 0.4 A 84 GLU N N 15 120.590 0.4 A 85 GLU HA H 1 4.234 0.035 A 85 GLU HBx H 1 1.938 0.035 A 85 GLU HBy H 1 1.938 0.035 A 85 GLU CA C 13 56.706 0.4 A 85 GLU CB C 13 30.239 0.4 A 86 THR H H 1 8.099 0.035 A 86 THR HA H 1 4.495 0.035 A 86 THR HB H 1 4.063 0.035 A 86 THR HG2% H 1 1.159 0.035 A 86 THR CA C 13 60.065 0.4 A 86 THR CB C 13 69.646 0.4 A 86 THR CG2 C 13 21.557 0.4 A 86 THR N N 15 117.698 0.4 A 87 PRO HA H 1 4.325 0.035 A 87 PRO HBx H 1 1.776 0.035 A 87 PRO HBy H 1 2.209 0.035 A 87 PRO HDx H 1 3.574 0.035 A 87 PRO HDy H 1 3.786 0.035 A 87 PRO HGx H 1 1.894 0.035 A 87 PRO HGy H 1 1.940 0.035 A 87 PRO CA C 13 63.381 0.4 A 87 PRO CB C 13 31.993 0.4 A 87 PRO CD C 13 51.088 0.4 A 87 PRO CG C 13 27.490 0.4 A 88 ARG H H 1 8.392 0.035 A 88 ARG HA H 1 4.215 0.035 A 88 ARG HBx H 1 1.649 0.035 A 88 ARG HBy H 1 1.737 0.035 A 88 ARG HDx H 1 3.064 0.035 A 88 ARG HDy H 1 3.064 0.035 A 88 ARG HGx H 1 1.529 0.035 A 88 ARG HGy H 1 1.554 0.035 A 88 ARG CA C 13 56.156 0.4 A 88 ARG CB C 13 30.740 0.4 A 88 ARG CD C 13 43.258 0.4 A 88 ARG CG C 13 27.018 0.4 A 88 ARG N N 15 121.203 0.4 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 45 ILE HA A 46 VAL HB 1.0 0.0 4.98 2 2 A 45 ILE HA A 45 ILE HD1% 1.0 0.0 3.51 3 2 A 45 ILE HA A 45 ILE HG2% 1.0 0.0 3.51 4 3 A 45 ILE HA A 11 VAL HA 1.0 0.0 4.30 5 4 A 61 GLU HA A 64 ARG HBy 1.0 0.0 3.58 6 4 A 61 GLU HA A 64 ARG HBx 1.0 0.0 3.58 7 5 A 61 GLU HA A 60 ILE HG2% 1.0 0.0 4.48 8 6 A 61 GLU HA A 65 ASN H 1.0 0.0 4.36 9 6 A 25 GLN HA A 28 ALA H 1.0 0.0 4.36 10 7 A 25 GLN HA A 25 GLN HGy 1.0 0.0 4.20 11 8 A 25 GLN HA A 25 GLN HGx 1.0 0.0 3.51 12 9 A 61 GLU HA A 61 GLU HBy 1.0 0.0 2.98 13 9 A 25 GLN HA A 25 GLN HBy 1.0 0.0 2.98 14 9 A 61 GLU HA A 61 GLU HBx 1.0 0.0 2.98 15 10 A 56 LEU HA A 60 ILE H 1.0 0.0 4.56 16 10 A 56 LEU HA A 59 THR H 1.0 0.0 4.56 17 11 A 32 CYS HA A 31 GLY H 1.0 0.0 5.16 18 11 A 32 CYS HA A 48 VAL H 1.0 0.0 5.16 19 11 A 32 CYS HA A 49 GLU H 1.0 0.0 5.16 20 12 A 63 VAL HA A 64 ARG HA 1.0 0.0 4.89 21 13 A 28 ALA HB% A 29 PHE HA 1.0 0.0 5.13 22 14 A 28 ALA HB% A 27 ASN HBx 1.0 0.0 4.79 23 14 A 28 ALA HB% A 27 ASN HBy 1.0 0.0 4.79 24 15 A 32 CYS HA A 48 VAL HA 1.0 0.0 3.95 25 16 A 32 CYS HA A 33 GLU HBx 1.0 0.0 4.83 26 16 A 32 CYS HA A 48 VAL HB 1.0 0.0 4.83 27 16 A 32 CYS HA A 33 GLU HBy 1.0 0.0 4.83 28 17 A 32 CYS HA A 48 VAL HG2% 1.0 0.0 4.13 29 17 A 32 CYS HA A 46 VAL HG1% 1.0 0.0 4.13 30 17 A 32 CYS HA A 48 VAL HG1% 1.0 0.0 4.13 31 18 A 64 ARG HA A 69 VAL HB 1.0 0.0 4.43 32 18 A 64 ARG HA A 63 VAL HB 1.0 0.0 4.43 33 19 A 64 ARG HA A 69 VAL HGx% 1.0 0.0 3.11 34 19 A 64 ARG HA A 72 VAL HGx% 1.0 0.0 3.11 35 19 A 56 LEU HA A 56 LEU HD2% 1.0 0.0 3.11 36 19 A 64 ARG HA A 72 VAL HGy% 1.0 0.0 3.11 37 19 A 64 ARG HA A 69 VAL HGy% 1.0 0.0 3.11 38 20 A 28 ALA HB% A 29 PHE H 1.0 0.0 4.10 39 21 A 28 ALA H A 28 ALA HB% 1.0 0.0 3.19 40 22 A 25 GLN HA A 28 ALA HB% 1.0 0.0 3.86 41 23 A 28 ALA HB% A 30 PRO HGx 1.0 0.0 5.24 42 23 A 25 GLN HBy A 28 ALA HB% 1.0 0.0 5.24 43 24 A 28 ALA HB% A 24 THR HG2% 1.0 0.0 3.76 44 25 A 58 GLN HA A 57 ILE H 1.0 0.0 4.04 45 25 A 58 GLN HA A 61 GLU H 1.0 0.0 4.04 46 26 A 58 GLN HA A 58 GLN HBx 1.0 0.0 3.21 47 26 A 58 GLN HA A 58 GLN HBy 1.0 0.0 3.21 48 27 A 58 GLN HA A 57 ILE HG2% 1.0 0.0 4.61 49 28 A 64 ARG HA A 66 VAL H 1.0 0.0 5.11 50 29 A 67 GLU HA A 68 GLY H 1.0 0.0 3.12 51 29 A 67 GLU H A 67 GLU HA 1.0 0.0 3.12 52 30 A 67 GLU HA A 66 VAL HG1% 1.0 0.0 5.02 53 30 A 69 VAL HGy% A 67 GLU HA 1.0 0.0 5.02 54 30 A 67 GLU HA A 69 VAL HGx% 1.0 0.0 5.02 55 31 A 17 GLU HA A 17 GLU HBx 1.0 0.0 3.05 56 31 A 17 GLU HA A 17 GLU HBy 1.0 0.0 3.05 57 32 A 5 TRP HA A 6 GLN HGy 1.0 0.0 4.60 58 33 A 9 SER HA A 10 LEU HG 1.0 0.0 4.70 59 33 A 9 SER HA A 10 LEU HBy 1.0 0.0 4.70 60 34 A 48 VAL H A 9 SER HA 1.0 0.0 5.13 61 35 A 48 VAL HG2% A 9 SER HA 1.0 0.0 4.72 62 35 A 9 SER HA A 47 VAL HG1% 1.0 0.0 4.72 63 36 A 26 LEU HA A 26 LEU HG 1.0 0.0 4.41 64 37 A 26 LEU HA A 26 LEU HD2% 1.0 0.0 3.60 65 38 A 21 ASP HA A 24 THR HB 1.0 0.0 3.81 66 39 A 28 ALA H A 26 LEU HA 1.0 0.0 4.42 67 39 A 26 LEU HA A 29 PHE HD% 1.0 0.0 4.42 68 40 A 22 ILE HG2% A 22 ILE H 1.0 0.0 3.70 69 40 A 22 ILE HG2% A 23 SER H 1.0 0.0 3.70 70 41 A 22 ILE HG2% A 22 ILE HA 1.0 0.0 3.34 71 42 A 22 ILE HG2% A 21 ASP HBx 1.0 0.0 5.48 72 42 A 22 ILE HG2% A 21 ASP HBy 1.0 0.0 5.48 73 43 A 22 ILE HG2% A 18 ARG HBy 1.0 0.0 4.58 74 43 A 25 GLN HGx A 22 ILE HG2% 1.0 0.0 4.58 75 43 A 22 ILE HG2% A 66 VAL HB 1.0 0.0 4.58 76 44 A 25 GLN HBy A 22 ILE HG2% 1.0 0.0 4.70 77 45 A 26 LEU HG A 22 ILE HG2% 1.0 0.0 3.34 78 45 A 22 ILE HG2% A 22 ILE HG1y 1.0 0.0 3.34 79 46 A 22 ILE HG2% A 69 VAL HGx% 1.0 0.0 3.08 80 46 A 69 VAL HGy% A 22 ILE HG2% 1.0 0.0 3.08 81 47 A 21 ASP HA A 21 ASP HBx 1.0 0.0 3.17 82 47 A 21 ASP HA A 21 ASP HBy 1.0 0.0 3.17 83 48 A 22 ILE HG2% A 24 THR H 1.0 0.0 5.32 84 48 A 22 ILE HG2% A 25 GLN H 1.0 0.0 5.32 85 49 A 73 SER HA A 72 VAL HGx% 1.0 0.0 3.96 86 49 A 7 VAL HGy% A 8 CYS HA 1.0 0.0 3.96 87 49 A 72 VAL HGy% A 73 SER HA 1.0 0.0 3.96 88 50 A 21 ASP HA A 25 GLN H 1.0 0.0 4.15 89 50 A 21 ASP HA A 24 THR H 1.0 0.0 4.15 90 51 A 60 ILE H A 57 ILE HG2% 1.0 0.0 5.42 91 51 A 59 THR H A 57 ILE HG2% 1.0 0.0 5.42 92 52 A 61 GLU H A 57 ILE HG2% 1.0 0.0 3.94 93 52 A 57 ILE H A 57 ILE HG2% 1.0 0.0 3.94 94 53 A 57 ILE HG2% A 58 GLN H 1.0 0.0 4.16 95 54 A 57 ILE HG2% A 57 ILE HA 1.0 0.0 3.48 96 55 A 57 ILE HG2% A 57 ILE HG1y 1.0 0.0 3.76 97 56 A 57 ILE HG2% A 57 ILE HG1x 1.0 0.0 3.53 98 57 A 60 ILE HG2% A 60 ILE H 1.0 0.0 4.28 99 58 A 60 ILE HG2% A 64 ARG H 1.0 0.0 3.99 100 58 A 60 ILE HG2% A 61 GLU H 1.0 0.0 3.99 101 59 A 60 ILE HG2% A 60 ILE HA 1.0 0.0 3.56 102 60 A 60 ILE HG2% A 63 VAL HB 1.0 0.0 4.71 103 61 A 83 GLY HAx A 84 GLU HA 1.0 0.0 4.51 104 62 A 15 LYS HA A 15 LYS HBy 1.0 0.0 2.96 105 62 A 81 GLU HA A 81 GLU HBy 1.0 0.0 2.96 106 63 A 45 ILE HG2% A 35 ALA HB% 1.0 0.0 3.85 107 64 A 45 ILE HG2% A 45 ILE HG1x 1.0 0.0 3.73 108 65 A 22 ILE H A 19 ILE HG2% 1.0 0.0 4.76 109 65 A 23 SER H A 19 ILE HG2% 1.0 0.0 4.76 110 66 A 19 ILE HG2% A 39 ALA HA 1.0 0.0 3.69 111 67 A 61 GLU HA A 60 ILE HG2% 1.0 0.0 3.98 112 67 A 19 ILE HG2% A 23 SER HBx 1.0 0.0 3.98 113 68 A 19 ILE HG2% A 42 GLY HAx 1.0 0.0 3.44 114 68 A 19 ILE HG2% A 19 ILE HA 1.0 0.0 3.44 115 69 A 19 ILE HG2% A 19 ILE HG1y 1.0 0.0 3.28 116 69 A 19 ILE HG2% A 39 ALA HB% 1.0 0.0 3.28 117 70 A 19 ILE HG2% A 19 ILE HD1% 1.0 0.0 3.24 118 71 A 19 ILE HG2% A 39 ALA H 1.0 0.0 5.46 119 71 A 45 ILE HG2% A 35 ALA H 1.0 0.0 5.46 120 71 A 45 ILE HG2% A 11 VAL H 1.0 0.0 5.46 121 72 A 45 ILE HG2% A 10 LEU H 1.0 0.0 5.00 122 73 A 45 ILE HG2% A 46 VAL H 1.0 0.0 3.81 123 74 A 45 ILE HG2% A 45 ILE H 1.0 0.0 4.70 124 75 A 45 ILE HG2% A 36 VAL H 1.0 0.0 5.17 125 76 A 45 ILE HA A 45 ILE HG2% 1.0 0.0 3.58 126 77 A 39 ALA HA A 19 ILE HD1% 1.0 0.0 4.23 127 78 A 39 ALA HA A 43 GLN H 1.0 0.0 4.92 128 79 A 82 GLN HA A 83 GLY HAy 1.0 0.0 5.18 129 80 A 82 GLN HA A 82 GLN HGx 1.0 0.0 3.56 130 80 A 82 GLN HA A 82 GLN HGy 1.0 0.0 3.56 131 81 A 39 ALA HB% A 38 ASP HA 1.0 0.0 4.86 132 82 A 39 ALA HB% A 37 SER HBx 1.0 0.0 4.86 133 82 A 19 ILE HA A 39 ALA HB% 1.0 0.0 4.86 134 82 A 42 GLY HAx A 39 ALA HB% 1.0 0.0 4.86 135 83 A 39 ALA HB% A 19 ILE HB 1.0 0.0 3.86 136 84 A 19 ILE HG2% A 39 ALA HB% 1.0 0.0 3.74 137 85 A 39 ALA HB% A 19 ILE HD1% 1.0 0.0 4.53 138 86 A 74 LEU HA A 75 VAL HGx% 1.0 0.0 3.80 139 86 A 74 LEU HA A 75 VAL HGy% 1.0 0.0 3.80 140 86 A 74 LEU HA A 74 LEU HD2% 1.0 0.0 3.80 141 87 A 70 LEU HA A 70 LEU HD1% 1.0 0.0 3.30 142 87 A 70 LEU HA A 70 LEU HD2% 1.0 0.0 3.30 143 88 A 33 GLU HA A 27 ASN HBx 1.0 0.0 4.22 144 88 A 27 ASN HBy A 33 GLU HA 1.0 0.0 4.22 145 89 A 68 GLY H A 22 ILE HD1% 1.0 0.0 5.70 146 90 A 23 SER H A 22 ILE HD1% 1.0 0.0 3.92 147 90 A 22 ILE HD1% A 15 LYS H 1.0 0.0 3.92 148 90 A 22 ILE H A 22 ILE HD1% 1.0 0.0 3.92 149 91 A 22 ILE HD1% A 18 ARG H 1.0 0.0 4.39 150 91 A 22 ILE HD1% A 69 VAL H 1.0 0.0 4.39 151 92 A 22 ILE HD1% A 19 ILE H 1.0 0.0 5.29 152 93 A 22 ILE HD1% A 68 GLY HAy 1.0 0.0 3.74 153 94 A 22 ILE HD1% A 69 VAL HA 1.0 0.0 4.37 154 95 A 22 ILE HA A 22 ILE HD1% 1.0 0.0 3.57 155 95 A 19 ILE HA A 22 ILE HD1% 1.0 0.0 3.57 156 96 A 22 ILE HD1% A 18 ARG HDx 1.0 0.0 5.05 157 96 A 22 ILE HD1% A 18 ARG HDy 1.0 0.0 5.05 158 97 A 22 ILE HD1% A 21 ASP HBx 1.0 0.0 5.55 159 97 A 21 ASP HBy A 22 ILE HD1% 1.0 0.0 5.55 160 98 A 18 ARG HBy A 22 ILE HD1% 1.0 0.0 3.64 161 99 A 19 ILE HB A 22 ILE HD1% 1.0 0.0 4.66 162 99 A 15 LYS HBy A 22 ILE HD1% 1.0 0.0 4.66 163 100 A 22 ILE HD1% A 22 ILE HB 1.0 0.0 3.38 164 101 A 22 ILE HD1% A 14 ALA HB% 1.0 0.0 3.40 165 102 A 22 ILE HD1% A 69 VAL HGx% 1.0 0.0 3.26 166 102 A 69 VAL HGy% A 22 ILE HD1% 1.0 0.0 3.26 167 103 A 6 GLN HGy A 6 GLN HA 1.0 0.0 4.18 168 104 A 19 ILE HD1% A 43 GLN HA 1.0 0.0 4.95 169 105 A 43 GLN HA A 13 GLN HA 1.0 0.0 3.89 170 106 A 45 ILE HD1% A 43 GLN HA 1.0 0.0 4.75 171 106 A 43 GLN HA A 44 LEU HD2% 1.0 0.0 4.75 172 106 A 43 GLN HA A 11 VAL HG1% 1.0 0.0 4.75 173 107 A 59 THR HB A 60 ILE HD1% 1.0 0.0 5.68 174 108 A 29 PHE H A 27 ASN HA 1.0 0.0 4.10 175 109 A 60 ILE H A 60 ILE HD1% 1.0 0.0 3.99 176 110 A 57 ILE H A 60 ILE HD1% 1.0 0.0 4.60 177 110 A 61 GLU H A 60 ILE HD1% 1.0 0.0 4.60 178 111 A 57 ILE HA A 60 ILE HD1% 1.0 0.0 3.77 179 112 A 60 ILE HA A 60 ILE HD1% 1.0 0.0 3.96 180 113 A 60 ILE HD1% A 56 LEU HG 1.0 0.0 3.70 181 114 A 60 ILE HD1% A 59 THR HG2% 1.0 0.0 5.50 182 115 A 48 VAL HG1% A 49 GLU HA 1.0 0.0 5.05 183 115 A 7 VAL HGy% A 49 GLU HA 1.0 0.0 5.05 184 115 A 49 GLU HA A 56 LEU HD1% 1.0 0.0 5.05 185 116 A 45 ILE H A 44 LEU HA 1.0 0.0 3.36 186 117 A 49 GLU HA A 7 VAL HA 1.0 0.0 4.39 187 118 A 47 VAL HG1% A 49 GLU HA 1.0 0.0 5.55 188 118 A 48 VAL HG2% A 49 GLU HA 1.0 0.0 5.55 189 119 A 34 VAL HG1% A 35 ALA HA 1.0 0.0 4.96 190 120 A 4 ASN HA A 5 TRP H 1.0 0.0 2.60 191 121 A 10 LEU HA A 10 LEU HD2% 1.0 0.0 3.66 192 122 A 10 LEU HA A 9 SER H 1.0 0.0 4.60 193 122 A 10 LEU HA A 75 VAL H 1.0 0.0 4.60 194 123 A 71 ALA HA A 72 VAL HGx% 1.0 0.0 4.25 195 123 A 71 ALA HA A 69 VAL HGx% 1.0 0.0 4.25 196 123 A 69 VAL HGy% A 71 ALA HA 1.0 0.0 4.25 197 123 A 72 VAL HGy% A 71 ALA HA 1.0 0.0 4.25 198 124 A 71 ALA HA A 72 VAL HB 1.0 0.0 4.96 199 125 A 57 ILE H A 57 ILE HD1% 1.0 0.0 4.35 200 126 A 57 ILE HD1% A 54 GLU HA 1.0 0.0 4.06 201 127 A 57 ILE HA A 57 ILE HD1% 1.0 0.0 4.11 202 128 A 57 ILE HD1% A 57 ILE HB 1.0 0.0 3.57 203 129 A 51 GLU HBy A 52 ASP HA 1.0 0.0 4.39 204 130 A 19 ILE HD1% A 14 ALA H 1.0 0.0 4.60 205 131 A 19 ILE HD1% A 19 ILE H 1.0 0.0 4.74 206 132 A 19 ILE HD1% A 42 GLY HAy 1.0 0.0 3.67 207 132 A 39 ALA HA A 19 ILE HD1% 1.0 0.0 3.67 208 133 A 42 GLY HAx A 19 ILE HD1% 1.0 0.0 3.29 209 133 A 19 ILE HA A 19 ILE HD1% 1.0 0.0 3.29 210 134 A 19 ILE HD1% A 19 ILE HB 1.0 0.0 3.84 211 135 A 19 ILE HD1% A 14 ALA HB% 1.0 0.0 3.75 212 136 A 19 ILE HD1% A 44 LEU HD2% 1.0 0.0 3.24 213 136 A 19 ILE HG2% A 19 ILE HD1% 1.0 0.0 3.24 214 137 A 19 ILE HD1% A 44 LEU H 1.0 0.0 4.88 215 137 A 19 ILE HD1% A 39 ALA H 1.0 0.0 4.88 216 138 A 45 ILE HD1% A 12 VAL H 1.0 0.0 5.47 217 139 A 45 ILE HD1% A 46 VAL H 1.0 0.0 5.20 218 140 A 45 ILE HA A 45 ILE HD1% 1.0 0.0 3.99 219 141 A 45 ILE HD1% A 11 VAL HA 1.0 0.0 4.22 220 142 A 45 ILE HD1% A 9 SER HBx 1.0 0.0 4.96 221 143 A 45 ILE HD1% A 11 VAL HB 1.0 0.0 3.87 222 143 A 45 ILE HD1% A 36 VAL HB 1.0 0.0 3.87 223 144 A 45 ILE HD1% A 45 ILE HB 1.0 0.0 3.71 224 145 A 45 ILE HD1% A 45 ILE H 1.0 0.0 5.13 225 146 A 45 ILE HD1% A 36 VAL H 1.0 0.0 5.42 226 147 A 45 ILE HD1% A 43 GLN HE22 1.0 0.0 5.42 227 148 A 56 LEU HD1% A 50 ALA HA 1.0 0.0 5.58 228 149 A 86 THR HG2% A 87 PRO HDy 1.0 0.0 5.43 229 150 A 86 THR HG2% A 87 PRO HDx 1.0 0.0 4.85 230 151 A 29 PHE HA A 30 PRO HDy 1.0 0.0 3.31 231 152 A 30 PRO HDy A 29 PHE HBx 1.0 0.0 4.37 232 153 A 29 PHE HD% A 30 PRO HDx 1.0 0.0 5.06 233 154 A 29 PHE HA A 30 PRO HDx 1.0 0.0 3.47 234 155 A 29 PHE HBx A 30 PRO HDx 1.0 0.0 4.12 235 156 A 14 ALA HA A 70 LEU HD1% 1.0 0.0 4.59 236 156 A 14 ALA HA A 69 VAL HGx% 1.0 0.0 4.59 237 156 A 69 VAL HGy% A 14 ALA HA 1.0 0.0 4.59 238 156 A 70 LEU HD2% A 14 ALA HA 1.0 0.0 4.59 239 157 A 14 ALA HA A 15 LYS HDx 1.0 0.0 3.83 240 157 A 14 ALA HA A 15 LYS HDy 1.0 0.0 3.83 241 158 A 40 PRO HDy A 41 SER H 1.0 0.0 5.40 242 159 A 39 ALA HB% A 40 PRO HDy 1.0 0.0 4.22 243 160 A 39 ALA HB% A 40 PRO HDx 1.0 0.0 3.74 244 161 A 38 ASP HA A 40 PRO HDy 1.0 0.0 5.47 245 162 A 15 LYS H A 14 ALA HA 1.0 0.0 3.22 246 163 A 19 ILE HD1% A 42 GLY HAy 1.0 0.0 4.61 247 164 A 42 GLY HAx A 16 SER HA 1.0 0.0 4.95 248 165 A 42 GLY HAx A 19 ILE HG1y 1.0 0.0 4.43 249 166 A 42 GLY HAx A 19 ILE HD1% 1.0 0.0 4.30 250 167 A 42 GLY HAx A 14 ALA H 1.0 0.0 5.22 251 168 A 39 ALA HB% A 42 GLY HAy 1.0 0.0 5.41 252 168 A 19 ILE HG1y A 42 GLY HAy 1.0 0.0 5.41 253 169 A 19 ILE HG1y A 42 GLY HAy 1.0 0.0 5.15 254 170 A 44 LEU H A 44 LEU HBx 1.0 0.0 3.98 255 170 A 44 LEU H A 44 LEU HBy 1.0 0.0 3.98 256 171 A 44 LEU HD2% A 44 LEU HBx 1.0 0.0 3.25 257 171 A 44 LEU HD2% A 44 LEU HBy 1.0 0.0 3.25 258 172 A 68 GLY HAx A 15 LYS HDx 1.0 0.0 4.35 259 172 A 15 LYS HDy A 68 GLY HAx 1.0 0.0 4.35 260 173 A 68 GLY HAy A 18 ARG HGy 1.0 0.0 4.13 261 173 A 68 GLY HAy A 18 ARG HBx 1.0 0.0 4.13 262 173 A 68 GLY HAy A 15 LYS HDy 1.0 0.0 4.13 263 173 A 68 GLY HAy A 15 LYS HDx 1.0 0.0 4.13 264 174 A 68 GLY HAy A 15 LYS HBx 1.0 0.0 5.45 265 174 A 68 GLY HAy A 15 LYS HGx 1.0 0.0 5.45 266 174 A 68 GLY HAy A 22 ILE HB 1.0 0.0 5.45 267 174 A 68 GLY HAy A 18 ARG HGx 1.0 0.0 5.45 268 175 A 22 ILE HD1% A 68 GLY HAx 1.0 0.0 4.46 269 176 A 68 GLY HAx A 69 VAL HGx% 1.0 0.0 5.09 270 176 A 69 VAL HGy% A 68 GLY HAx 1.0 0.0 5.09 271 177 A 10 LEU HBy A 11 VAL H 1.0 0.0 5.01 272 178 A 10 LEU HBy A 10 LEU H 1.0 0.0 4.18 273 179 A 45 ILE HD1% A 10 LEU HBy 1.0 0.0 3.64 274 179 A 10 LEU HBy A 75 VAL HGy% 1.0 0.0 3.64 275 179 A 46 VAL HG1% A 10 LEU HBy 1.0 0.0 3.64 276 179 A 10 LEU HBy A 12 VAL HG2% 1.0 0.0 3.64 277 179 A 10 LEU HBy A 75 VAL HGx% 1.0 0.0 3.64 278 180 A 75 VAL HGy% A 10 LEU HBx 1.0 0.0 3.52 279 180 A 12 VAL HG2% A 10 LEU HBx 1.0 0.0 3.52 280 180 A 10 LEU HBx A 75 VAL HGx% 1.0 0.0 3.52 281 181 A 64 ARG H A 64 ARG HDx 1.0 0.0 4.53 282 181 A 64 ARG H A 64 ARG HDy 1.0 0.0 4.53 283 182 A 61 GLU HA A 64 ARG HDx 1.0 0.0 4.15 284 182 A 61 GLU HA A 64 ARG HDy 1.0 0.0 4.15 285 183 A 64 ARG HA A 64 ARG HDx 1.0 0.0 4.31 286 183 A 64 ARG HA A 64 ARG HDy 1.0 0.0 4.31 287 184 A 64 ARG HBy A 64 ARG HDx 1.0 0.0 3.28 288 184 A 64 ARG HBx A 64 ARG HDx 1.0 0.0 3.28 289 184 A 64 ARG HBx A 64 ARG HDy 1.0 0.0 3.28 290 184 A 64 ARG HBy A 64 ARG HDy 1.0 0.0 3.28 291 185 A 72 VAL HGy% A 64 ARG HDx 1.0 0.0 4.02 292 185 A 64 ARG HDx A 72 VAL HGx% 1.0 0.0 4.02 293 185 A 60 ILE HG2% A 64 ARG HDy 1.0 0.0 4.02 294 185 A 64 ARG HDy A 72 VAL HGx% 1.0 0.0 4.02 295 185 A 72 VAL HGy% A 64 ARG HDy 1.0 0.0 4.02 296 185 A 60 ILE HG2% A 64 ARG HDx 1.0 0.0 4.02 297 186 A 63 VAL HB A 64 ARG HDx 1.0 0.0 5.23 298 186 A 63 VAL HB A 64 ARG HDy 1.0 0.0 5.23 299 187 A 75 VAL H A 74 LEU HBx 1.0 0.0 3.77 300 187 A 74 LEU H A 74 LEU HBx 1.0 0.0 3.77 301 187 A 75 VAL H A 74 LEU HBy 1.0 0.0 3.77 302 187 A 74 LEU H A 74 LEU HBy 1.0 0.0 3.77 303 188 A 69 VAL HA A 70 LEU HBx 1.0 0.0 5.16 304 189 A 74 LEU HBy A 74 LEU HD1% 1.0 0.0 3.36 305 189 A 70 LEU HD2% A 70 LEU HBx 1.0 0.0 3.36 306 189 A 74 LEU HD1% A 74 LEU HBx 1.0 0.0 3.36 307 189 A 74 LEU HD2% A 74 LEU HBx 1.0 0.0 3.36 308 189 A 70 LEU HBx A 70 LEU HD1% 1.0 0.0 3.36 309 189 A 74 LEU HD2% A 74 LEU HBy 1.0 0.0 3.36 310 190 A 14 ALA HA A 70 LEU HBy 1.0 0.0 5.33 311 191 A 70 LEU HBy A 70 LEU H 1.0 0.0 4.16 312 192 A 70 LEU HBy A 71 ALA H 1.0 0.0 4.40 313 193 A 70 LEU HBy A 13 GLN HBy 1.0 0.0 4.86 314 194 A 75 VAL HB A 74 LEU HBx 1.0 0.0 4.55 315 194 A 74 LEU HBy A 75 VAL HB 1.0 0.0 4.55 316 194 A 70 LEU HBx A 13 GLN HBx 1.0 0.0 4.55 317 195 A 70 LEU HBx A 71 ALA H 1.0 0.0 4.34 318 196 A 70 LEU HBx A 13 GLN HGx 1.0 0.0 4.91 319 196 A 69 VAL HB A 70 LEU HBx 1.0 0.0 4.91 320 196 A 70 LEU HBx A 13 GLN HGy 1.0 0.0 4.91 321 197 A 70 LEU HBx A 13 GLN HBy 1.0 0.0 4.56 322 198 A 18 ARG H A 18 ARG HDx 1.0 0.0 5.07 323 198 A 18 ARG H A 18 ARG HDy 1.0 0.0 5.07 324 199 A 18 ARG HA A 18 ARG HDx 1.0 0.0 3.92 325 199 A 18 ARG HDy A 18 ARG HA 1.0 0.0 3.92 326 200 A 68 GLY HAy A 18 ARG HDx 1.0 0.0 4.54 327 200 A 68 GLY HAy A 18 ARG HDy 1.0 0.0 4.54 328 201 A 68 GLY HAx A 18 ARG HDx 1.0 0.0 4.01 329 201 A 18 ARG HDy A 68 GLY HAx 1.0 0.0 4.01 330 202 A 15 LYS HEy A 18 ARG HDx 1.0 0.0 4.20 331 202 A 15 LYS HEx A 18 ARG HDx 1.0 0.0 4.20 332 202 A 18 ARG HDy A 15 LYS HEx 1.0 0.0 4.20 333 202 A 18 ARG HDy A 15 LYS HEy 1.0 0.0 4.20 334 203 A 18 ARG HBy A 18 ARG HDx 1.0 0.0 3.76 335 203 A 18 ARG HBy A 18 ARG HDy 1.0 0.0 3.76 336 204 A 15 LYS HBy A 18 ARG HDx 1.0 0.0 4.81 337 204 A 15 LYS HBy A 18 ARG HDy 1.0 0.0 4.81 338 205 A 68 GLY HAy A 15 LYS HEx 1.0 0.0 5.08 339 205 A 15 LYS HA A 15 LYS HEx 1.0 0.0 5.08 340 205 A 68 GLY HAy A 15 LYS HEy 1.0 0.0 5.08 341 205 A 15 LYS HA A 15 LYS HEy 1.0 0.0 5.08 342 206 A 68 GLY HAx A 15 LYS HEx 1.0 0.0 5.23 343 206 A 68 GLY HAx A 15 LYS HEy 1.0 0.0 5.23 344 207 A 15 LYS HEx A 70 LEU HD1% 1.0 0.0 4.19 345 207 A 70 LEU HD2% A 15 LYS HEx 1.0 0.0 4.19 346 207 A 70 LEU HD2% A 15 LYS HEy 1.0 0.0 4.19 347 207 A 15 LYS HEy A 70 LEU HD1% 1.0 0.0 4.19 348 208 A 38 ASP HBy A 41 SER HBx 1.0 0.0 4.86 349 208 A 38 ASP HBy A 41 SER HBy 1.0 0.0 4.86 350 209 A 38 ASP HBy A 43 GLN HBx 1.0 0.0 4.41 351 210 A 38 ASP HBx A 40 PRO HGy 1.0 0.0 5.17 352 211 A 43 GLN HBx A 38 ASP HBx 1.0 0.0 4.78 353 212 A 38 ASP HBx A 36 VAL HGy% 1.0 0.0 4.67 354 212 A 38 ASP HBx A 36 VAL HGx% 1.0 0.0 4.67 355 213 A 38 ASP HBy A 40 PRO HGy 1.0 0.0 5.23 356 214 A 57 ILE H A 56 LEU HBy 1.0 0.0 3.95 357 215 A 56 LEU HBy A 55 THR HB 1.0 0.0 3.93 358 215 A 56 LEU HBy A 53 SER HA 1.0 0.0 3.93 359 216 A 57 ILE H A 56 LEU HBx 1.0 0.0 4.38 360 217 A 55 THR HB A 56 LEU HBx 1.0 0.0 4.34 361 217 A 53 SER HA A 56 LEU HBx 1.0 0.0 4.34 362 218 A 56 LEU HD2% A 56 LEU HBx 1.0 0.0 3.86 363 219 A 23 SER HA A 26 LEU HBy 1.0 0.0 4.45 364 220 A 26 LEU HBx A 26 LEU HD1% 1.0 0.0 3.79 365 221 A 26 LEU HBy A 27 ASN HBx 1.0 0.0 5.31 366 221 A 27 ASN HBy A 26 LEU HBy 1.0 0.0 5.31 367 222 A 18 ARG HBy A 21 ASP HBx 1.0 0.0 5.18 368 222 A 21 ASP HBy A 18 ARG HBy 1.0 0.0 5.18 369 223 A 21 ASP HBy A 22 ILE HG1y 1.0 0.0 4.72 370 223 A 21 ASP HBy A 18 ARG HBx 1.0 0.0 4.72 371 223 A 18 ARG HGy A 21 ASP HBx 1.0 0.0 4.72 372 223 A 18 ARG HBx A 21 ASP HBx 1.0 0.0 4.72 373 223 A 22 ILE HG1y A 21 ASP HBx 1.0 0.0 4.72 374 223 A 21 ASP HBy A 18 ARG HGy 1.0 0.0 4.72 375 224 A 22 ILE HG2% A 21 ASP HBx 1.0 0.0 5.55 376 224 A 22 ILE HD1% A 21 ASP HBx 1.0 0.0 5.55 377 224 A 22 ILE HG2% A 21 ASP HBy 1.0 0.0 5.55 378 224 A 21 ASP HBy A 22 ILE HD1% 1.0 0.0 5.55 379 225 A 62 SER HA A 65 ASN HBy 1.0 0.0 4.63 380 226 A 76 TYR HBy A 75 VAL HGx% 1.0 0.0 5.53 381 226 A 74 LEU HD1% A 76 TYR HBy 1.0 0.0 5.53 382 226 A 75 VAL HGy% A 76 TYR HBy 1.0 0.0 5.53 383 226 A 74 LEU HD2% A 76 TYR HBy 1.0 0.0 5.53 384 227 A 76 TYR HBx A 75 VAL HGx% 1.0 0.0 5.39 385 227 A 75 VAL HGy% A 76 TYR HBx 1.0 0.0 5.39 386 227 A 74 LEU HD2% A 76 TYR HBx 1.0 0.0 5.39 387 228 A 76 TYR HBx A 77 HIS H 1.0 0.0 4.22 388 228 A 76 TYR HBx A 76 TYR H 1.0 0.0 4.22 389 229 A 27 ASN HD22 A 27 ASN HBx 1.0 0.0 3.77 390 229 A 28 ALA H A 27 ASN HBy 1.0 0.0 3.77 391 229 A 27 ASN HBy A 27 ASN HD22 1.0 0.0 3.77 392 229 A 28 ALA H A 27 ASN HBx 1.0 0.0 3.77 393 230 A 23 SER H A 22 ILE HB 1.0 0.0 3.32 394 230 A 22 ILE H A 22 ILE HB 1.0 0.0 3.32 395 231 A 22 ILE HB A 21 ASP HBx 1.0 0.0 5.22 396 231 A 21 ASP HBy A 22 ILE HB 1.0 0.0 5.22 397 232 A 54 GLU HA A 57 ILE HB 1.0 0.0 3.80 398 233 A 57 ILE HB A 58 GLN HBx 1.0 0.0 4.82 399 233 A 58 GLN HBy A 57 ILE HB 1.0 0.0 4.82 400 234 A 59 THR HG2% A 29 PHE HBy 1.0 0.0 5.70 401 235 A 29 PHE HBy A 32 CYS HBx 1.0 0.0 5.08 402 236 A 29 PHE HBx A 32 CYS HBy 1.0 0.0 4.36 403 237 A 59 THR HG2% A 29 PHE HBx 1.0 0.0 5.14 404 238 A 29 PHE HBx A 32 CYS HBx 1.0 0.0 4.98 405 239 A 17 GLU HA A 19 ILE HB 1.0 0.0 4.35 406 239 A 39 ALA HA A 19 ILE HB 1.0 0.0 4.35 407 240 A 19 ILE HB A 16 SER HA 1.0 0.0 5.13 408 241 A 54 GLU H A 54 GLU HGy 1.0 0.0 4.66 409 242 A 54 GLU HA A 54 GLU HGy 1.0 0.0 4.20 410 243 A 19 ILE HB A 18 ARG H 1.0 0.0 4.90 411 244 A 54 GLU HGx A 55 THR H 1.0 0.0 4.76 412 244 A 54 GLU H A 54 GLU HGx 1.0 0.0 4.76 413 245 A 33 GLU HGy A 34 VAL H 1.0 0.0 5.21 414 246 A 34 VAL H A 33 GLU HGx 1.0 0.0 5.22 415 247 A 18 ARG HBx A 17 GLU HGx 1.0 0.0 5.16 416 247 A 18 ARG HGy A 17 GLU HGx 1.0 0.0 5.16 417 247 A 18 ARG HBx A 17 GLU HGy 1.0 0.0 5.16 418 247 A 18 ARG HGy A 17 GLU HGy 1.0 0.0 5.16 419 248 A 17 GLU HA A 17 GLU HGx 1.0 0.0 4.41 420 248 A 17 GLU HA A 17 GLU HGy 1.0 0.0 4.41 421 249 A 15 LYS HBx A 17 GLU HGx 1.0 0.0 4.78 422 249 A 18 ARG HGx A 17 GLU HGx 1.0 0.0 4.78 423 249 A 15 LYS HBx A 17 GLU HGy 1.0 0.0 4.78 424 249 A 18 ARG HGx A 17 GLU HGy 1.0 0.0 4.78 425 250 A 67 GLU H A 67 GLU HGy 1.0 0.0 4.37 426 250 A 68 GLY H A 67 GLU HGy 1.0 0.0 4.37 427 251 A 69 VAL H A 67 GLU HGx 1.0 0.0 5.09 428 252 A 67 GLU H A 67 GLU HGx 1.0 0.0 4.29 429 252 A 68 GLY H A 67 GLU HGx 1.0 0.0 4.29 430 253 A 5 TRP HBy A 49 GLU HGx 1.0 0.0 5.51 431 253 A 17 GLU HGx A 18 ARG HDx 1.0 0.0 5.51 432 253 A 18 ARG HDy A 17 GLU HGx 1.0 0.0 5.51 433 253 A 18 ARG HDy A 17 GLU HGy 1.0 0.0 5.51 434 253 A 5 TRP HBy A 49 GLU HGy 1.0 0.0 5.51 435 253 A 17 GLU HGy A 18 ARG HDx 1.0 0.0 5.51 436 254 A 34 VAL HG1% A 33 GLU HGy 1.0 0.0 5.70 437 254 A 33 GLU HGy A 46 VAL HG2% 1.0 0.0 5.70 438 254 A 46 VAL HG1% A 33 GLU HGy 1.0 0.0 5.70 439 255 A 67 GLU HA A 67 GLU HGx 1.0 0.0 4.27 440 256 A 67 GLU HA A 67 GLU HGy 1.0 0.0 3.86 441 257 A 47 VAL HG1% A 49 GLU HGy 1.0 0.0 4.92 442 257 A 49 GLU HGy A 7 VAL HGx% 1.0 0.0 4.92 443 257 A 47 VAL HG1% A 49 GLU HGx 1.0 0.0 4.92 444 257 A 48 VAL HG2% A 49 GLU HGy 1.0 0.0 4.92 445 257 A 48 VAL HG2% A 49 GLU HGx 1.0 0.0 4.92 446 257 A 7 VAL HGx% A 49 GLU HGx 1.0 0.0 4.92 447 258 A 66 VAL HG1% A 67 GLU HGy 1.0 0.0 4.57 448 259 A 45 ILE H A 36 VAL HB 1.0 0.0 4.37 449 260 A 36 VAL HB A 45 ILE HG1y 1.0 0.0 4.27 450 261 A 46 VAL HB A 10 LEU HBx 1.0 0.0 5.69 451 262 A 46 VAL HB A 45 ILE H 1.0 0.0 4.76 452 262 A 72 VAL HB A 13 GLN H 1.0 0.0 4.76 453 262 A 72 VAL HB A 73 SER H 1.0 0.0 4.76 454 263 A 64 ARG HA A 72 VAL HB 1.0 0.0 5.28 455 264 A 72 VAL HB A 64 ARG HDx 1.0 0.0 5.42 456 264 A 72 VAL HB A 64 ARG HDy 1.0 0.0 5.42 457 265 A 46 VAL HB A 10 LEU H 1.0 0.0 4.86 458 266 A 46 VAL HB A 10 LEU HBy 1.0 0.0 3.47 459 267 A 45 ILE HD1% A 43 GLN HGy 1.0 0.0 4.58 460 267 A 11 VAL HG1% A 43 GLN HGy 1.0 0.0 4.58 461 268 A 44 LEU H A 43 GLN HGx 1.0 0.0 5.01 462 269 A 45 ILE HD1% A 43 GLN HGx 1.0 0.0 4.54 463 269 A 44 LEU HD2% A 43 GLN HGx 1.0 0.0 4.54 464 269 A 11 VAL HG1% A 43 GLN HGx 1.0 0.0 4.54 465 270 A 48 VAL HB A 49 GLU HGx 1.0 0.0 5.45 466 270 A 48 VAL HB A 49 GLU HGy 1.0 0.0 5.45 467 270 A 49 GLU HGy A 7 VAL HB 1.0 0.0 5.45 468 270 A 7 VAL HB A 49 GLU HGx 1.0 0.0 5.45 469 271 A 25 GLN HGy A 26 LEU H 1.0 0.0 5.23 470 272 A 25 GLN HGy A 26 LEU HA 1.0 0.0 4.94 471 272 A 25 GLN HGy A 22 ILE HA 1.0 0.0 4.94 472 273 A 25 GLN HGy A 66 VAL HG2% 1.0 0.0 5.33 473 273 A 25 GLN HGy A 24 THR HG2% 1.0 0.0 5.33 474 274 A 25 GLN HGx A 25 GLN H 1.0 0.0 5.63 475 275 A 25 GLN HGx A 26 LEU HA 1.0 0.0 4.90 476 275 A 25 GLN HGx A 22 ILE HA 1.0 0.0 4.90 477 276 A 25 GLN HGx A 66 VAL HG2% 1.0 0.0 5.48 478 276 A 25 GLN HGx A 24 THR HG2% 1.0 0.0 5.48 479 277 A 49 GLU H A 48 VAL HB 1.0 0.0 3.85 480 277 A 48 VAL H A 48 VAL HB 1.0 0.0 3.85 481 278 A 58 GLN HA A 58 GLN HGy 1.0 0.0 4.30 482 279 A 58 GLN HA A 58 GLN HGx 1.0 0.0 4.24 483 280 A 58 GLN HGx A 58 GLN HBx 1.0 0.0 3.19 484 280 A 58 GLN HBy A 58 GLN HGx 1.0 0.0 3.19 485 281 A 58 GLN H A 58 GLN HGx 1.0 0.0 4.34 486 282 A 13 GLN HA A 13 GLN HGx 1.0 0.0 4.07 487 282 A 13 GLN HA A 13 GLN HGy 1.0 0.0 4.07 488 283 A 13 GLN HGy A 12 VAL HG1% 1.0 0.0 4.51 489 283 A 70 LEU HD2% A 13 GLN HGy 1.0 0.0 4.51 490 283 A 12 VAL HG1% A 13 GLN HGx 1.0 0.0 4.51 491 283 A 13 GLN HGx A 70 LEU HD1% 1.0 0.0 4.51 492 283 A 13 GLN HGy A 70 LEU HD1% 1.0 0.0 4.51 493 283 A 70 LEU HD2% A 13 GLN HGx 1.0 0.0 4.51 494 284 A 70 LEU HBx A 13 GLN HGx 1.0 0.0 4.11 495 284 A 71 ALA HB% A 13 GLN HGx 1.0 0.0 4.11 496 284 A 70 LEU HBx A 13 GLN HGy 1.0 0.0 4.11 497 284 A 13 GLN HGy A 71 ALA HB% 1.0 0.0 4.11 498 285 A 44 LEU H A 12 VAL HB 1.0 0.0 4.43 499 286 A 12 VAL HB A 44 LEU HBx 1.0 0.0 3.38 500 286 A 44 LEU HBy A 12 VAL HB 1.0 0.0 3.38 501 287 A 13 GLN HBy A 13 GLN HGx 1.0 0.0 2.75 502 287 A 13 GLN HBy A 13 GLN HGy 1.0 0.0 2.75 503 288 A 34 VAL H A 33 GLU HBx 1.0 0.0 4.28 504 288 A 33 GLU HBy A 34 VAL H 1.0 0.0 4.28 505 289 A 9 SER H A 75 VAL HB 1.0 0.0 3.71 506 289 A 75 VAL H A 75 VAL HB 1.0 0.0 3.71 507 290 A 75 VAL HB A 9 SER HBy 1.0 0.0 3.90 508 291 A 6 GLN HGy A 6 GLN H 1.0 0.0 4.75 509 292 A 56 LEU HD2% A 6 GLN HGy 1.0 0.0 5.55 510 293 A 10 LEU HBy A 75 VAL HB 1.0 0.0 5.33 511 293 A 10 LEU HG A 75 VAL HB 1.0 0.0 5.33 512 294 A 53 SER HA A 6 GLN HGx 1.0 0.0 5.33 513 295 A 6 GLN H A 6 GLN HGx 1.0 0.0 4.91 514 296 A 43 GLN H A 43 GLN HBy 1.0 0.0 4.18 515 297 A 38 ASP HBy A 43 GLN HBy 1.0 0.0 4.84 516 298 A 43 GLN HBx A 41 SER HBx 1.0 0.0 5.21 517 298 A 41 SER HBy A 43 GLN HBx 1.0 0.0 5.21 518 299 A 44 LEU H A 43 GLN HBx 1.0 0.0 4.56 519 300 A 44 LEU HD2% A 43 GLN HBx 1.0 0.0 4.80 520 300 A 45 ILE HD1% A 43 GLN HBx 1.0 0.0 4.80 521 300 A 11 VAL HG1% A 43 GLN HBx 1.0 0.0 4.80 522 301 A 5 TRP HZ2 A 49 GLU HBx 1.0 0.0 4.84 523 301 A 5 TRP HE3 A 49 GLU HBx 1.0 0.0 4.84 524 301 A 49 GLU HBy A 5 TRP HZ2 1.0 0.0 4.84 525 301 A 5 TRP HE3 A 49 GLU HBy 1.0 0.0 4.84 526 302 A 18 ARG H A 15 LYS HBx 1.0 0.0 4.93 527 303 A 15 LYS HBy A 15 LYS HEx 1.0 0.0 5.12 528 303 A 15 LYS HBy A 15 LYS HEy 1.0 0.0 5.12 529 304 A 15 LYS HBx A 15 LYS HEx 1.0 0.0 5.26 530 304 A 15 LYS HBx A 15 LYS HEy 1.0 0.0 5.26 531 305 A 15 LYS HBx A 70 LEU HD1% 1.0 0.0 5.02 532 305 A 70 LEU HD2% A 15 LYS HBx 1.0 0.0 5.02 533 306 A 15 LYS H A 15 LYS HBx 1.0 0.0 3.80 534 307 A 15 LYS HBy A 18 ARG H 1.0 0.0 5.29 535 308 A 10 LEU HA A 11 VAL HB 1.0 0.0 4.92 536 309 A 87 PRO HBx A 88 ARG HGy 1.0 0.0 4.77 537 310 A 11 VAL HB A 73 SER HBx 1.0 0.0 3.88 538 311 A 35 ALA H A 34 VAL HB 1.0 0.0 5.15 539 312 A 27 ASN HD22 A 34 VAL HB 1.0 0.0 4.92 540 313 A 68 GLY H A 66 VAL HB 1.0 0.0 4.95 541 313 A 67 GLU H A 66 VAL HB 1.0 0.0 4.95 542 314 A 26 LEU HA A 66 VAL HB 1.0 0.0 4.70 543 314 A 22 ILE HA A 66 VAL HB 1.0 0.0 4.70 544 314 A 63 VAL HA A 66 VAL HB 1.0 0.0 4.70 545 315 A 66 VAL HB A 26 LEU HD1% 1.0 0.0 4.73 546 315 A 22 ILE HG2% A 66 VAL HB 1.0 0.0 4.73 547 315 A 66 VAL HB A 22 ILE HD1% 1.0 0.0 4.73 548 316 A 29 PHE HBy A 32 CYS HBy 1.0 0.0 3.96 549 317 A 48 VAL HG1% A 32 CYS HBy 1.0 0.0 4.40 550 317 A 46 VAL HG1% A 32 CYS HBy 1.0 0.0 4.40 551 318 A 74 LEU HBy A 8 CYS HBy 1.0 0.0 5.47 552 318 A 8 CYS HBy A 74 LEU HG 1.0 0.0 5.47 553 318 A 74 LEU HG A 8 CYS HBx 1.0 0.0 5.47 554 318 A 8 CYS HBy A 74 LEU HBx 1.0 0.0 5.47 555 318 A 74 LEU HBy A 8 CYS HBx 1.0 0.0 5.47 556 318 A 8 CYS HBx A 74 LEU HBx 1.0 0.0 5.47 557 319 A 41 SER H A 40 PRO HBy 1.0 0.0 4.38 558 320 A 32 CYS HBy A 33 GLU H 1.0 0.0 4.90 559 321 A 9 SER H A 8 CYS HBx 1.0 0.0 3.84 560 321 A 75 VAL H A 8 CYS HBx 1.0 0.0 3.84 561 321 A 75 VAL H A 8 CYS HBy 1.0 0.0 3.84 562 321 A 9 SER H A 8 CYS HBy 1.0 0.0 3.84 563 322 A 74 LEU HA A 8 CYS HBx 1.0 0.0 5.16 564 322 A 76 TYR HA A 8 CYS HBx 1.0 0.0 5.16 565 322 A 8 CYS HBy A 76 TYR HA 1.0 0.0 5.16 566 322 A 74 LEU HA A 8 CYS HBy 1.0 0.0 5.16 567 323 A 75 VAL HB A 8 CYS HBy 1.0 0.0 4.63 568 323 A 75 VAL HB A 8 CYS HBx 1.0 0.0 4.63 569 323 A 48 VAL HB A 8 CYS HBx 1.0 0.0 4.63 570 323 A 48 VAL HB A 8 CYS HBy 1.0 0.0 4.63 571 323 A 7 VAL HB A 8 CYS HBx 1.0 0.0 4.63 572 323 A 7 VAL HB A 8 CYS HBy 1.0 0.0 4.63 573 324 A 8 CYS HBy A 75 VAL HGx% 1.0 0.0 4.21 574 324 A 75 VAL HGy% A 8 CYS HBy 1.0 0.0 4.21 575 324 A 7 VAL HGy% A 8 CYS HBx 1.0 0.0 4.21 576 324 A 7 VAL HGy% A 8 CYS HBy 1.0 0.0 4.21 577 324 A 74 LEU HD1% A 8 CYS HBx 1.0 0.0 4.21 578 324 A 74 LEU HD1% A 8 CYS HBy 1.0 0.0 4.21 579 324 A 8 CYS HBx A 75 VAL HGx% 1.0 0.0 4.21 580 324 A 75 VAL HGy% A 8 CYS HBx 1.0 0.0 4.21 581 325 A 76 TYR HBy A 8 CYS HBx 1.0 0.0 4.55 582 325 A 76 TYR HBy A 8 CYS HBy 1.0 0.0 4.55 583 326 A 63 VAL HB A 64 ARG H 1.0 0.0 3.43 584 326 A 63 VAL HB A 63 VAL H 1.0 0.0 3.43 585 327 A 6 GLN HBy A 7 VAL H 1.0 0.0 4.84 586 328 A 19 ILE H A 18 ARG HBx 1.0 0.0 5.05 587 329 A 22 ILE H A 18 ARG HBy 1.0 0.0 5.01 588 329 A 18 ARG HBy A 15 LYS H 1.0 0.0 5.01 589 330 A 18 ARG HBy A 15 LYS HA 1.0 0.0 5.27 590 330 A 18 ARG HBy A 68 GLY HAy 1.0 0.0 5.27 591 331 A 18 ARG H A 18 ARG HBx 1.0 0.0 4.12 592 332 A 22 ILE HD1% A 18 ARG HBx 1.0 0.0 4.31 593 333 A 14 ALA H A 13 GLN HBx 1.0 0.0 5.09 594 334 A 70 LEU HBx A 13 GLN HBy 1.0 0.0 3.80 595 334 A 13 GLN HBy A 71 ALA HB% 1.0 0.0 3.80 596 335 A 13 GLN HBy A 70 LEU HD1% 1.0 0.0 4.48 597 335 A 13 GLN HBy A 12 VAL HG1% 1.0 0.0 4.48 598 335 A 70 LEU HD2% A 13 GLN HBy 1.0 0.0 4.48 599 336 A 13 GLN HBx A 72 VAL HGx% 1.0 0.0 4.53 600 336 A 13 GLN HBx A 12 VAL HG1% 1.0 0.0 4.53 601 336 A 70 LEU HD2% A 13 GLN HBx 1.0 0.0 4.53 602 336 A 13 GLN HBx A 70 LEU HD1% 1.0 0.0 4.53 603 336 A 72 VAL HGy% A 13 GLN HBx 1.0 0.0 4.53 604 336 A 13 GLN HBx A 69 VAL HGx% 1.0 0.0 4.53 605 336 A 69 VAL HGy% A 13 GLN HBx 1.0 0.0 4.53 606 337 A 64 ARG HBx A 60 ILE HG2% 1.0 0.0 4.22 607 337 A 64 ARG HBy A 72 VAL HGy% 1.0 0.0 4.22 608 337 A 64 ARG HBy A 60 ILE HG2% 1.0 0.0 4.22 609 337 A 64 ARG HBy A 72 VAL HGx% 1.0 0.0 4.22 610 337 A 64 ARG HBx A 72 VAL HGy% 1.0 0.0 4.22 611 337 A 64 ARG HBx A 72 VAL HGx% 1.0 0.0 4.22 612 338 A 18 ARG HBy A 15 LYS HBy 1.0 0.0 3.14 613 339 A 81 GLU HBy A 82 GLN H 1.0 0.0 4.15 614 340 A 82 GLN H A 81 GLU HBx 1.0 0.0 4.11 615 341 A 51 GLU HBy A 51 GLU H 1.0 0.0 4.35 616 342 A 51 GLU HBy A 52 ASP H 1.0 0.0 5.34 617 343 A 51 GLU HBy A 55 THR HG2% 1.0 0.0 5.37 618 343 A 51 GLU HBy A 50 ALA HB% 1.0 0.0 5.37 619 344 A 4 ASN HA A 3 THR HB 1.0 0.0 5.07 620 345 A 82 GLN HBy A 82 GLN HGx 1.0 0.0 3.11 621 345 A 82 GLN HGy A 82 GLN HBy 1.0 0.0 3.11 622 346 A 6 GLN H A 5 TRP HBx 1.0 0.0 4.81 623 347 A 82 GLN HBx A 82 GLN HGx 1.0 0.0 3.21 624 347 A 82 GLN HGy A 82 GLN HBx 1.0 0.0 3.21 625 348 A 60 ILE H A 60 ILE HG1y 1.0 0.0 3.90 626 349 A 60 ILE H A 60 ILE HG1x 1.0 0.0 4.32 627 350 A 60 ILE HA A 60 ILE HG1x 1.0 0.0 4.12 628 351 A 25 GLN HBy A 28 ALA HB% 1.0 0.0 4.93 629 352 A 15 LYS HA A 15 LYS HDx 1.0 0.0 4.40 630 352 A 68 GLY HAy A 15 LYS HDy 1.0 0.0 4.40 631 352 A 15 LYS HA A 15 LYS HDy 1.0 0.0 4.40 632 352 A 68 GLY HAy A 15 LYS HDx 1.0 0.0 4.40 633 353 A 15 LYS HDx A 70 LEU HD1% 1.0 0.0 4.84 634 353 A 70 LEU HD2% A 15 LYS HDx 1.0 0.0 4.84 635 353 A 70 LEU HD2% A 15 LYS HDy 1.0 0.0 4.84 636 353 A 15 LYS HDy A 70 LEU HD1% 1.0 0.0 4.84 637 354 A 19 ILE HG1y A 19 ILE H 1.0 0.0 4.22 638 355 A 19 ILE HG1y A 42 GLY HAy 1.0 0.0 4.24 639 355 A 17 GLU HA A 19 ILE HG1y 1.0 0.0 4.24 640 355 A 39 ALA HA A 19 ILE HG1y 1.0 0.0 4.24 641 356 A 19 ILE HG1y A 16 SER HA 1.0 0.0 4.54 642 357 A 19 ILE HA A 19 ILE HG1y 1.0 0.0 4.29 643 357 A 42 GLY HAx A 19 ILE HG1y 1.0 0.0 4.29 644 358 A 19 ILE HG1y A 14 ALA HB% 1.0 0.0 5.13 645 359 A 19 ILE HG2% A 19 ILE HG1y 1.0 0.0 4.32 646 360 A 19 ILE H A 19 ILE HG1x 1.0 0.0 4.24 647 361 A 15 LYS HA A 19 ILE HG1x 1.0 0.0 4.34 648 361 A 17 GLU HA A 19 ILE HG1x 1.0 0.0 4.34 649 361 A 39 ALA HA A 19 ILE HG1x 1.0 0.0 4.34 650 362 A 16 SER HA A 19 ILE HG1x 1.0 0.0 4.57 651 363 A 42 GLY HAx A 19 ILE HG1x 1.0 0.0 4.31 652 363 A 19 ILE HA A 19 ILE HG1x 1.0 0.0 4.31 653 364 A 14 ALA HB% A 19 ILE HG1x 1.0 0.0 5.24 654 365 A 19 ILE HG2% A 19 ILE HG1x 1.0 0.0 4.36 655 366 A 22 ILE HG1y A 19 ILE HA 1.0 0.0 3.97 656 366 A 22 ILE HA A 22 ILE HG1y 1.0 0.0 3.97 657 367 A 22 ILE HG1y A 21 ASP HBx 1.0 0.0 5.09 658 367 A 21 ASP HBy A 22 ILE HG1y 1.0 0.0 5.09 659 368 A 57 ILE HG1y A 53 SER HA 1.0 0.0 4.99 660 368 A 57 ILE HG1y A 54 GLU HA 1.0 0.0 4.99 661 369 A 57 ILE HG1x A 53 SER HA 1.0 0.0 5.09 662 369 A 57 ILE HG1x A 54 GLU HA 1.0 0.0 5.09 663 370 A 19 ILE HA A 22 ILE HG1x 1.0 0.0 3.92 664 370 A 22 ILE HA A 22 ILE HG1x 1.0 0.0 3.92 665 371 A 25 GLN HBy A 24 THR HG2% 1.0 0.0 5.00 666 371 A 25 GLN HBy A 66 VAL HG2% 1.0 0.0 5.00 667 371 A 55 THR HG2% A 54 GLU HBy 1.0 0.0 5.00 668 372 A 25 GLN HBy A 66 VAL HG1% 1.0 0.0 4.44 669 373 A 25 GLN HBy A 26 LEU HD1% 1.0 0.0 5.62 670 373 A 25 GLN HBy A 22 ILE HG2% 1.0 0.0 5.62 671 374 A 67 GLU H A 67 GLU HBy 1.0 0.0 3.37 672 375 A 25 GLN HBy A 66 VAL HA 1.0 0.0 4.71 673 375 A 67 GLU HBy A 66 VAL HA 1.0 0.0 4.71 674 376 A 26 LEU H A 25 GLN HBx 1.0 0.0 4.15 675 377 A 25 GLN H A 25 GLN HBx 1.0 0.0 3.78 676 378 A 66 VAL HA A 67 GLU HBx 1.0 0.0 4.49 677 378 A 66 VAL HA A 25 GLN HBx 1.0 0.0 4.49 678 379 A 26 LEU HA A 25 GLN HBx 1.0 0.0 4.15 679 379 A 22 ILE HA A 25 GLN HBx 1.0 0.0 4.15 680 380 A 66 VAL HG1% A 25 GLN HBx 1.0 0.0 4.33 681 381 A 26 LEU HD1% A 25 GLN HBx 1.0 0.0 5.04 682 381 A 22 ILE HG2% A 25 GLN HBx 1.0 0.0 5.04 683 382 A 55 THR HG2% A 54 GLU HBx 1.0 0.0 4.84 684 382 A 24 THR HG2% A 25 GLN HBx 1.0 0.0 4.84 685 383 A 18 ARG HBy A 22 ILE HG1y 1.0 0.0 4.87 686 384 A 23 SER H A 22 ILE HG1x 1.0 0.0 4.23 687 384 A 22 ILE H A 22 ILE HG1x 1.0 0.0 4.23 688 385 A 66 VAL HB A 22 ILE HG1x 1.0 0.0 4.87 689 385 A 18 ARG HBy A 22 ILE HG1x 1.0 0.0 4.87 690 386 A 24 THR HB A 26 LEU H 1.0 0.0 5.27 691 387 A 24 THR HB A 25 GLN H 1.0 0.0 2.99 692 387 A 24 THR HB A 24 THR H 1.0 0.0 2.99 693 388 A 61 GLU HA A 61 GLU HBx 1.0 0.0 3.19 694 388 A 67 GLU HA A 67 GLU HBy 1.0 0.0 3.19 695 388 A 25 GLN HA A 25 GLN HBy 1.0 0.0 3.19 696 388 A 61 GLU HA A 61 GLU HBy 1.0 0.0 3.19 697 388 A 54 GLU HA A 54 GLU HBy 1.0 0.0 3.19 698 389 A 25 GLN HGx A 25 GLN HBy 1.0 0.0 2.84 699 389 A 54 GLU HGx A 54 GLU HBy 1.0 0.0 2.84 700 390 A 61 GLU HBy A 62 SER H 1.0 0.0 3.51 701 390 A 61 GLU HBy A 61 GLU H 1.0 0.0 3.51 702 391 A 61 GLU HBx A 62 SER H 1.0 0.0 3.48 703 391 A 61 GLU HBx A 61 GLU H 1.0 0.0 3.48 704 392 A 55 THR H A 54 GLU HBx 1.0 0.0 3.83 705 392 A 54 GLU H A 54 GLU HBx 1.0 0.0 3.83 706 393 A 64 ARG H A 64 ARG HGy 1.0 0.0 4.38 707 394 A 61 GLU HA A 64 ARG HGy 1.0 0.0 5.00 708 395 A 64 ARG HGy A 72 VAL HGx% 1.0 0.0 4.30 709 395 A 64 ARG HGy A 63 VAL HG1% 1.0 0.0 4.30 710 395 A 72 VAL HGy% A 64 ARG HGy 1.0 0.0 4.30 711 395 A 60 ILE HG2% A 64 ARG HGy 1.0 0.0 4.30 712 396 A 61 GLU HA A 64 ARG HGx 1.0 0.0 5.42 713 397 A 64 ARG HA A 64 ARG HGx 1.0 0.0 4.13 714 398 A 64 ARG HGx A 72 VAL HGx% 1.0 0.0 4.10 715 398 A 63 VAL HG1% A 64 ARG HGx 1.0 0.0 4.10 716 398 A 60 ILE HG2% A 64 ARG HGx 1.0 0.0 4.10 717 398 A 72 VAL HGy% A 64 ARG HGx 1.0 0.0 4.10 718 399 A 56 LEU HA A 59 THR HB 1.0 0.0 3.94 719 400 A 59 THR H A 59 THR HB 1.0 0.0 3.39 720 400 A 60 ILE H A 59 THR HB 1.0 0.0 3.39 721 401 A 48 VAL HB A 59 THR HB 1.0 0.0 4.52 722 401 A 59 THR HB A 60 ILE HB 1.0 0.0 4.52 723 402 A 48 VAL HG2% A 59 THR HB 1.0 0.0 3.93 724 402 A 48 VAL HG1% A 59 THR HB 1.0 0.0 3.93 725 403 A 50 ALA HB% A 58 GLN HBx 1.0 0.0 5.12 726 403 A 55 THR HG2% A 58 GLN HBx 1.0 0.0 5.12 727 403 A 58 GLN HBy A 50 ALA HB% 1.0 0.0 5.12 728 403 A 58 GLN HBy A 55 THR HG2% 1.0 0.0 5.12 729 404 A 58 GLN HGx A 58 GLN HBx 1.0 0.0 3.00 730 404 A 38 ASP HBx A 40 PRO HGy 1.0 0.0 3.00 731 404 A 58 GLN HBy A 58 GLN HGx 1.0 0.0 3.00 732 405 A 59 THR HB A 60 ILE HB 1.0 0.0 4.83 733 405 A 59 THR HB A 60 ILE HG1y 1.0 0.0 4.83 734 406 A 55 THR HB A 51 GLU H 1.0 0.0 3.97 735 406 A 55 THR HB A 55 THR H 1.0 0.0 3.97 736 407 A 55 THR HB A 56 LEU H 1.0 0.0 4.10 737 408 A 74 LEU H A 74 LEU HG 1.0 0.0 4.48 738 408 A 75 VAL H A 74 LEU HG 1.0 0.0 4.48 739 409 A 10 LEU HBy A 74 LEU HG 1.0 0.0 4.79 740 409 A 10 LEU HG A 74 LEU HG 1.0 0.0 4.79 741 410 A 29 PHE HA A 30 PRO HGy 1.0 0.0 5.30 742 411 A 29 PHE HA A 30 PRO HGx 1.0 0.0 5.08 743 412 A 59 THR HA A 58 GLN HBx 1.0 0.0 5.31 744 412 A 58 GLN HBy A 59 THR HA 1.0 0.0 5.31 745 413 A 59 THR HG2% A 59 THR HA 1.0 0.0 3.64 746 414 A 63 VAL H A 59 THR HA 1.0 0.0 4.08 747 414 A 61 GLU H A 59 THR HA 1.0 0.0 4.08 748 414 A 62 SER H A 59 THR HA 1.0 0.0 4.08 749 415 A 48 VAL HG2% A 59 THR HA 1.0 0.0 5.38 750 415 A 48 VAL HG1% A 59 THR HA 1.0 0.0 5.38 751 416 A 45 ILE H A 45 ILE HG1y 1.0 0.0 4.71 752 417 A 11 VAL HA A 45 ILE HG1y 1.0 0.0 5.48 753 418 A 45 ILE HA A 45 ILE HG1x 1.0 0.0 4.37 754 419 A 11 VAL HA A 45 ILE HG1x 1.0 0.0 4.94 755 420 A 60 ILE HA A 59 THR HG2% 1.0 0.0 5.02 756 421 A 63 VAL HA A 66 VAL H 1.0 0.0 4.21 757 422 A 63 VAL HA A 29 PHE HE% 1.0 0.0 3.91 758 423 A 63 VAL HA A 66 VAL HG2% 1.0 0.0 3.41 759 424 A 63 VAL HA A 63 VAL HG2% 1.0 0.0 3.33 760 425 A 63 VAL HA A 63 VAL HG1% 1.0 0.0 3.37 761 426 A 63 VAL HA A 26 LEU HD2% 1.0 0.0 3.84 762 427 A 60 ILE HA A 59 THR HB 1.0 0.0 5.18 763 428 A 63 VAL HB A 60 ILE HA 1.0 0.0 3.54 764 429 A 60 ILE HA A 60 ILE HG1y 1.0 0.0 3.47 765 430 A 60 ILE HA A 60 ILE HD1% 1.0 0.0 3.04 766 430 A 60 ILE HA A 60 ILE HG1x 1.0 0.0 3.04 767 430 A 60 ILE HG2% A 60 ILE HA 1.0 0.0 3.04 768 431 A 63 VAL HA A 26 LEU HG 1.0 0.0 5.31 769 431 A 64 ARG HBy A 63 VAL HA 1.0 0.0 5.31 770 431 A 64 ARG HBx A 63 VAL HA 1.0 0.0 5.31 771 432 A 43 GLN HGx A 44 LEU HG 1.0 0.0 4.21 772 432 A 12 VAL HB A 44 LEU HG 1.0 0.0 4.21 773 432 A 15 LYS HBy A 18 ARG HGx 1.0 0.0 4.21 774 433 A 44 LEU H A 44 LEU HG 1.0 0.0 4.89 775 434 A 18 ARG H A 18 ARG HGy 1.0 0.0 4.83 776 435 A 17 GLU HA A 18 ARG HGy 1.0 0.0 4.98 777 435 A 15 LYS HA A 18 ARG HGy 1.0 0.0 4.98 778 435 A 68 GLY HAy A 18 ARG HGy 1.0 0.0 4.98 779 436 A 19 ILE HB A 18 ARG HGy 1.0 0.0 5.20 780 436 A 15 LYS HBy A 18 ARG HGy 1.0 0.0 5.20 781 437 A 18 ARG H A 18 ARG HGx 1.0 0.0 4.50 782 438 A 15 LYS H A 70 LEU HG 1.0 0.0 4.98 783 439 A 14 ALA HA A 70 LEU HG 1.0 0.0 4.37 784 440 A 70 LEU HA A 70 LEU HG 1.0 0.0 4.38 785 441 A 71 ALA H A 70 LEU HG 1.0 0.0 5.22 786 442 A 23 SER HA A 26 LEU HD1% 1.0 0.0 4.81 787 443 A 26 LEU HD1% A 66 VAL HG2% 1.0 0.0 5.08 788 444 A 26 LEU HD1% A 63 VAL HG2% 1.0 0.0 3.73 789 444 A 26 LEU HD1% A 34 VAL HG2% 1.0 0.0 3.73 790 445 A 57 ILE H A 56 LEU HG 1.0 0.0 5.34 791 446 A 56 LEU HG A 56 LEU H 1.0 0.0 5.22 792 447 A 44 LEU H A 44 LEU HD1% 1.0 0.0 4.62 793 448 A 22 ILE H A 44 LEU HD1% 1.0 0.0 5.62 794 448 A 23 SER H A 44 LEU HD1% 1.0 0.0 5.62 795 449 A 43 GLN HA A 44 LEU HD1% 1.0 0.0 5.03 796 450 A 44 LEU HA A 44 LEU HD1% 1.0 0.0 5.08 797 451 A 37 SER HBx A 44 LEU HD1% 1.0 0.0 4.72 798 451 A 19 ILE HA A 44 LEU HD1% 1.0 0.0 4.72 799 451 A 22 ILE HA A 44 LEU HD1% 1.0 0.0 4.72 800 451 A 42 GLY HAx A 44 LEU HD1% 1.0 0.0 4.72 801 452 A 43 GLN HGx A 44 LEU HD1% 1.0 0.0 4.15 802 452 A 12 VAL HB A 44 LEU HD1% 1.0 0.0 4.15 803 453 A 14 ALA HB% A 44 LEU HD1% 1.0 0.0 4.47 804 454 A 26 LEU HD1% A 26 LEU H 1.0 0.0 4.12 805 455 A 25 GLN H A 26 LEU HD1% 1.0 0.0 5.29 806 455 A 26 LEU HD1% A 27 ASN H 1.0 0.0 5.29 807 456 A 22 ILE HA A 26 LEU HD1% 1.0 0.0 4.27 808 456 A 26 LEU HA A 26 LEU HD1% 1.0 0.0 4.27 809 457 A 26 LEU HBy A 26 LEU HD1% 1.0 0.0 3.76 810 458 A 26 LEU HG A 12 VAL HG1% 1.0 0.0 4.67 811 458 A 26 LEU HG A 46 VAL HG2% 1.0 0.0 4.67 812 459 A 10 LEU HG A 10 LEU H 1.0 0.0 4.42 813 460 A 9 SER HA A 10 LEU HG 1.0 0.0 5.46 814 461 A 55 THR HA A 58 GLN HBx 1.0 0.0 3.42 815 461 A 58 GLN HBy A 55 THR HA 1.0 0.0 3.42 816 462 A 52 ASP H A 55 THR HA 1.0 0.0 4.42 817 462 A 27 ASN HD22 A 24 THR HA 1.0 0.0 4.42 818 462 A 28 ALA H A 24 THR HA 1.0 0.0 4.42 819 463 A 24 THR HA A 27 ASN HBx 1.0 0.0 3.42 820 463 A 27 ASN HBy A 24 THR HA 1.0 0.0 3.42 821 464 A 55 THR HG2% A 55 THR HA 1.0 0.0 3.19 822 464 A 24 THR HG2% A 24 THR HA 1.0 0.0 3.19 823 465 A 44 LEU HD2% A 44 LEU H 1.0 0.0 5.70 824 466 A 45 ILE H A 44 LEU HD2% 1.0 0.0 5.70 825 467 A 22 ILE H A 44 LEU HD2% 1.0 0.0 4.72 826 467 A 23 SER H A 44 LEU HD2% 1.0 0.0 4.72 827 468 A 44 LEU HD2% A 44 LEU HA 1.0 0.0 4.39 828 469 A 44 LEU HD2% A 37 SER HA 1.0 0.0 5.70 829 470 A 23 SER HBx A 44 LEU HD2% 1.0 0.0 4.30 830 471 A 37 SER HBx A 44 LEU HD2% 1.0 0.0 4.57 831 472 A 44 LEU HD2% A 43 GLN HGx 1.0 0.0 5.20 832 472 A 19 ILE HB A 44 LEU HD2% 1.0 0.0 5.20 833 472 A 44 LEU HD2% A 12 VAL HB 1.0 0.0 5.20 834 473 A 45 ILE HG1x A 44 LEU HD2% 1.0 0.0 5.20 835 473 A 14 ALA HB% A 44 LEU HD2% 1.0 0.0 5.20 836 474 A 22 ILE HG2% A 44 LEU HD2% 1.0 0.0 3.43 837 474 A 19 ILE HD1% A 44 LEU HD2% 1.0 0.0 3.43 838 475 A 40 PRO HA A 41 SER HA 1.0 0.0 4.83 839 476 A 10 LEU H A 10 LEU HD1% 1.0 0.0 5.24 840 477 A 60 ILE HA A 10 LEU HD1% 1.0 0.0 4.53 841 478 A 63 VAL HB A 10 LEU HD1% 1.0 0.0 5.18 842 479 A 60 ILE HG1y A 10 LEU HD1% 1.0 0.0 4.29 843 479 A 46 VAL HB A 10 LEU HD1% 1.0 0.0 4.29 844 480 A 56 LEU HD2% A 6 GLN HE21 1.0 0.0 5.37 845 481 A 56 LEU HD2% A 56 LEU HBy 1.0 0.0 3.60 846 482 A 22 ILE HA A 24 THR H 1.0 0.0 4.00 847 482 A 22 ILE HA A 25 GLN H 1.0 0.0 4.00 848 483 A 22 ILE HA A 66 VAL HB 1.0 0.0 5.70 849 483 A 25 GLN HGx A 22 ILE HA 1.0 0.0 5.70 850 484 A 25 GLN HBy A 22 ILE HA 1.0 0.0 3.51 851 485 A 22 ILE HA A 22 ILE HG1y 1.0 0.0 3.52 852 486 A 66 VAL HG1% A 22 ILE HA 1.0 0.0 3.29 853 486 A 22 ILE HA A 22 ILE HG1x 1.0 0.0 3.29 854 487 A 22 ILE HA A 22 ILE HD1% 1.0 0.0 3.32 855 487 A 22 ILE HG2% A 22 ILE HA 1.0 0.0 3.32 856 488 A 56 LEU HD2% A 56 LEU H 1.0 0.0 5.57 857 489 A 56 LEU HD2% A 50 ALA HA 1.0 0.0 5.70 858 489 A 56 LEU HD2% A 6 GLN HA 1.0 0.0 5.70 859 490 A 56 LEU HD2% A 8 CYS HBx 1.0 0.0 4.61 860 490 A 56 LEU HD2% A 8 CYS HBy 1.0 0.0 4.61 861 491 A 56 LEU HD2% A 55 THR HB 1.0 0.0 5.24 862 491 A 56 LEU HD2% A 53 SER HA 1.0 0.0 5.24 863 492 A 9 SER HBx A 47 VAL HA 1.0 0.0 4.93 864 493 A 14 ALA H A 70 LEU HD1% 1.0 0.0 5.70 865 493 A 70 LEU HD2% A 14 ALA H 1.0 0.0 5.70 866 494 A 14 ALA HB% A 70 LEU HD1% 1.0 0.0 5.15 867 494 A 70 LEU HD2% A 14 ALA HB% 1.0 0.0 5.15 868 495 A 10 LEU H A 9 SER HBx 1.0 0.0 4.09 869 496 A 70 LEU H A 70 LEU HD1% 1.0 0.0 4.80 870 496 A 70 LEU HD2% A 70 LEU H 1.0 0.0 4.80 871 497 A 71 ALA H A 70 LEU HD1% 1.0 0.0 5.59 872 497 A 70 LEU HD2% A 71 ALA H 1.0 0.0 5.59 873 498 A 14 ALA HA A 70 LEU HD1% 1.0 0.0 4.59 874 498 A 70 LEU HD2% A 14 ALA HA 1.0 0.0 4.59 875 499 A 15 LYS HA A 70 LEU HD1% 1.0 0.0 4.61 876 499 A 15 LYS HA A 70 LEU HD2% 1.0 0.0 4.61 877 500 A 70 LEU HD2% A 13 GLN HGx 1.0 0.0 4.29 878 500 A 69 VAL HB A 70 LEU HD2% 1.0 0.0 4.29 879 500 A 70 LEU HD2% A 13 GLN HGy 1.0 0.0 4.29 880 500 A 13 GLN HGy A 70 LEU HD1% 1.0 0.0 4.29 881 500 A 69 VAL HB A 70 LEU HD1% 1.0 0.0 4.29 882 500 A 13 GLN HGx A 70 LEU HD1% 1.0 0.0 4.29 883 501 A 13 GLN HBy A 70 LEU HD1% 1.0 0.0 4.81 884 501 A 70 LEU HD2% A 13 GLN HBy 1.0 0.0 4.81 885 502 A 70 LEU HBy A 70 LEU HD1% 1.0 0.0 3.24 886 502 A 70 LEU HD2% A 70 LEU HBy 1.0 0.0 3.24 887 503 A 73 SER HBy A 74 LEU HBx 1.0 0.0 5.33 888 503 A 71 ALA HB% A 73 SER HBy 1.0 0.0 5.33 889 503 A 74 LEU HBy A 73 SER HBy 1.0 0.0 5.33 890 504 A 11 VAL HB A 73 SER HBy 1.0 0.0 3.72 891 505 A 73 SER HBy A 75 VAL HGx% 1.0 0.0 3.84 892 505 A 75 VAL HGy% A 73 SER HBy 1.0 0.0 3.84 893 505 A 11 VAL HG1% A 73 SER HBy 1.0 0.0 3.84 894 506 A 11 VAL HB A 73 SER HBx 1.0 0.0 3.29 895 506 A 75 VAL HB A 9 SER HBy 1.0 0.0 3.29 896 507 A 73 SER HBx A 74 LEU HG 1.0 0.0 4.69 897 507 A 73 SER HBx A 74 LEU HBx 1.0 0.0 4.69 898 507 A 71 ALA HB% A 73 SER HBx 1.0 0.0 4.69 899 507 A 74 LEU HBy A 73 SER HBx 1.0 0.0 4.69 900 508 A 11 VAL HG1% A 73 SER HBx 1.0 0.0 3.46 901 508 A 9 SER HBy A 75 VAL HGx% 1.0 0.0 3.46 902 508 A 45 ILE HG2% A 9 SER HBy 1.0 0.0 3.46 903 508 A 75 VAL HGy% A 9 SER HBy 1.0 0.0 3.46 904 509 A 10 LEU H A 9 SER HBy 1.0 0.0 4.29 905 510 A 57 ILE HA A 60 ILE HD1% 1.0 0.0 3.49 906 510 A 45 ILE HG2% A 9 SER HBx 1.0 0.0 3.49 907 511 A 9 SER HBx A 47 VAL H 1.0 0.0 5.20 908 511 A 9 SER HBx A 8 CYS H 1.0 0.0 5.20 909 511 A 46 VAL H A 9 SER HBx 1.0 0.0 5.20 910 512 A 15 LYS H A 15 LYS HGy 1.0 0.0 4.19 911 513 A 15 LYS HA A 15 LYS HGy 1.0 0.0 4.40 912 514 A 15 LYS HGy A 15 LYS HEx 1.0 0.0 4.43 913 514 A 15 LYS HEy A 15 LYS HGy 1.0 0.0 4.43 914 515 A 15 LYS H A 15 LYS HGx 1.0 0.0 4.22 915 516 A 15 LYS HA A 15 LYS HGx 1.0 0.0 4.25 916 517 A 15 LYS HGx A 70 LEU HD1% 1.0 0.0 4.24 917 517 A 70 LEU HD2% A 15 LYS HGx 1.0 0.0 4.24 918 518 A 74 LEU HD2% A 74 LEU H 1.0 0.0 4.83 919 518 A 74 LEU HD2% A 75 VAL H 1.0 0.0 4.83 920 519 A 74 LEU HD2% A 76 TYR HA 1.0 0.0 4.78 921 519 A 74 LEU HA A 74 LEU HD2% 1.0 0.0 4.78 922 520 A 74 LEU HD2% A 76 TYR HBy 1.0 0.0 5.56 923 521 A 74 LEU HD2% A 8 CYS HBx 1.0 0.0 4.60 924 521 A 74 LEU HD2% A 8 CYS HBy 1.0 0.0 4.60 925 522 A 74 LEU HD2% A 75 VAL HB 1.0 0.0 5.12 926 523 A 69 VAL HA A 70 LEU HG 1.0 0.0 4.54 927 524 A 15 LYS HGy A 70 LEU HD1% 1.0 0.0 4.52 928 524 A 70 LEU HD2% A 15 LYS HGy 1.0 0.0 4.52 929 525 A 69 VAL HA A 70 LEU H 1.0 0.0 3.06 930 526 A 69 VAL HA A 14 ALA HA 1.0 0.0 3.93 931 527 A 69 VAL HA A 69 VAL HGx% 1.0 0.0 3.06 932 527 A 69 VAL HGy% A 69 VAL HA 1.0 0.0 3.06 933 528 A 22 ILE HG2% A 69 VAL HA 1.0 0.0 4.33 934 528 A 22 ILE HD1% A 69 VAL HA 1.0 0.0 4.33 935 529 A 59 THR H A 57 ILE HA 1.0 0.0 4.25 936 529 A 60 ILE H A 57 ILE HA 1.0 0.0 4.25 937 530 A 57 ILE HA A 60 ILE HA 1.0 0.0 5.66 938 531 A 57 ILE HA A 60 ILE HB 1.0 0.0 3.19 939 532 A 57 ILE HA A 57 ILE HG1x 1.0 0.0 3.64 940 533 A 57 ILE HA A 60 ILE HG1x 1.0 0.0 3.33 941 533 A 57 ILE HA A 60 ILE HD1% 1.0 0.0 3.33 942 534 A 19 ILE HA A 22 ILE HB 1.0 0.0 3.48 943 535 A 19 ILE HA A 22 ILE HD1% 1.0 0.0 3.32 944 535 A 19 ILE HA A 19 ILE HD1% 1.0 0.0 3.32 945 536 A 57 ILE HA A 53 SER HA 1.0 0.0 5.23 946 536 A 57 ILE HA A 54 GLU HA 1.0 0.0 5.23 947 537 A 57 ILE HA A 57 ILE HG1y 1.0 0.0 3.82 948 538 A 23 SER H A 19 ILE HA 1.0 0.0 4.16 949 538 A 22 ILE H A 19 ILE HA 1.0 0.0 4.16 950 539 A 17 GLU HA A 19 ILE HA 1.0 0.0 5.30 951 539 A 37 SER HBx A 36 VAL HA 1.0 0.0 5.30 952 539 A 19 ILE HA A 42 GLY HAy 1.0 0.0 5.30 953 539 A 39 ALA HA A 19 ILE HA 1.0 0.0 5.30 954 539 A 19 ILE HA A 20 SER HA 1.0 0.0 5.30 955 540 A 19 ILE HG2% A 19 ILE HA 1.0 0.0 3.59 956 541 A 74 LEU H A 74 LEU HD1% 1.0 0.0 4.40 957 541 A 75 VAL H A 74 LEU HD1% 1.0 0.0 4.40 958 542 A 74 LEU HA A 74 LEU HD1% 1.0 0.0 4.62 959 543 A 44 LEU HA A 37 SER HBy 1.0 0.0 4.91 960 544 A 37 SER HBy A 44 LEU HBx 1.0 0.0 4.16 961 544 A 44 LEU HG A 37 SER HBy 1.0 0.0 4.16 962 544 A 44 LEU HBy A 37 SER HBy 1.0 0.0 4.16 963 545 A 44 LEU HD2% A 37 SER HBy 1.0 0.0 3.49 964 545 A 34 VAL HG1% A 37 SER HBy 1.0 0.0 3.49 965 546 A 38 ASP HA A 37 SER HBx 1.0 0.0 5.11 966 546 A 37 SER HBx A 44 LEU HA 1.0 0.0 5.11 967 547 A 37 SER HBx A 34 VAL HG1% 1.0 0.0 3.44 968 547 A 19 ILE HG2% A 19 ILE HA 1.0 0.0 3.44 969 547 A 37 SER HBx A 44 LEU HD2% 1.0 0.0 3.44 970 548 A 37 SER HBx A 37 SER H 1.0 0.0 4.03 971 549 A 74 LEU HD1% A 8 CYS HBx 1.0 0.0 4.21 972 549 A 74 LEU HD1% A 8 CYS HBy 1.0 0.0 4.21 973 550 A 26 LEU HD2% A 26 LEU H 1.0 0.0 4.53 974 551 A 26 LEU HD2% A 62 SER H 1.0 0.0 5.70 975 551 A 26 LEU HD2% A 63 VAL H 1.0 0.0 5.70 976 552 A 63 VAL HA A 26 LEU HD2% 1.0 0.0 3.32 977 552 A 26 LEU HA A 26 LEU HD2% 1.0 0.0 3.32 978 553 A 25 GLN HGx A 26 LEU HD2% 1.0 0.0 4.68 979 553 A 26 LEU HD2% A 66 VAL HB 1.0 0.0 4.68 980 554 A 26 LEU HD2% A 26 LEU HBy 1.0 0.0 4.38 981 555 A 26 LEU HD2% A 34 VAL HG2% 1.0 0.0 3.57 982 555 A 26 LEU HD2% A 63 VAL HG2% 1.0 0.0 3.57 983 556 A 26 LEU HD2% A 12 VAL HG2% 1.0 0.0 3.50 984 556 A 46 VAL HG1% A 26 LEU HD2% 1.0 0.0 3.50 985 556 A 26 LEU HD2% A 46 VAL HG2% 1.0 0.0 3.50 986 556 A 26 LEU HD2% A 63 VAL HG1% 1.0 0.0 3.50 987 557 A 10 LEU H A 10 LEU HD2% 1.0 0.0 5.04 988 558 A 11 VAL H A 10 LEU HD2% 1.0 0.0 4.79 989 559 A 10 LEU HD2% A 74 LEU H 1.0 0.0 4.73 990 559 A 10 LEU HD2% A 75 VAL H 1.0 0.0 4.73 991 560 A 74 LEU HA A 10 LEU HD2% 1.0 0.0 4.13 992 561 A 60 ILE HA A 10 LEU HD2% 1.0 0.0 5.20 993 562 A 63 VAL HB A 10 LEU HD2% 1.0 0.0 5.70 994 563 A 10 LEU HD2% A 74 LEU HBx 1.0 0.0 3.92 995 563 A 10 LEU HD2% A 74 LEU HG 1.0 0.0 3.92 996 563 A 10 LEU HD2% A 74 LEU HBy 1.0 0.0 3.92 997 564 A 10 LEU HD2% A 10 LEU HBx 1.0 0.0 3.86 998 565 A 68 GLY H A 66 VAL HA 1.0 0.0 2.78 999 565 A 67 GLU H A 66 VAL HA 1.0 0.0 2.78 1000 566 A 66 VAL HG2% A 66 VAL HA 1.0 0.0 3.31 1001 567 A 66 VAL HG1% A 66 VAL HA 1.0 0.0 3.44 1002 568 A 43 GLN HE21 A 41 SER HBx 1.0 0.0 5.23 1003 568 A 41 SER HBy A 43 GLN HE21 1.0 0.0 5.23 1004 569 A 31 GLY H A 30 PRO HA 1.0 0.0 3.16 1005 570 A 30 PRO HA A 32 CYS H 1.0 0.0 4.50 1006 571 A 43 GLN HGy A 41 SER HBx 1.0 0.0 4.79 1007 571 A 41 SER HBy A 43 GLN HGy 1.0 0.0 4.79 1008 572 A 30 PRO HA A 31 GLY HAx 1.0 0.0 5.12 1009 573 A 41 SER HA A 41 SER HBx 1.0 0.0 3.00 1010 573 A 41 SER HBy A 41 SER HA 1.0 0.0 3.00 1011 574 A 42 GLY H A 41 SER HBx 1.0 0.0 5.08 1012 574 A 41 SER HBy A 42 GLY H 1.0 0.0 5.08 1013 575 A 35 ALA HB% A 34 VAL HA 1.0 0.0 4.64 1014 576 A 36 VAL H A 34 VAL HA 1.0 0.0 4.65 1015 577 A 42 GLY HAx A 41 SER HBx 1.0 0.0 4.50 1016 577 A 42 GLY HAx A 16 SER HBx 1.0 0.0 4.50 1017 577 A 42 GLY HAx A 16 SER HBy 1.0 0.0 4.50 1018 577 A 42 GLY HAx A 41 SER HBy 1.0 0.0 4.50 1019 578 A 16 SER HBx A 17 GLU HGx 1.0 0.0 5.12 1020 578 A 40 PRO HBy A 41 SER HBx 1.0 0.0 5.12 1021 578 A 17 GLU HGy A 16 SER HBx 1.0 0.0 5.12 1022 578 A 41 SER HBy A 40 PRO HBy 1.0 0.0 5.12 1023 578 A 16 SER HBy A 17 GLU HGx 1.0 0.0 5.12 1024 578 A 17 GLU HGy A 16 SER HBy 1.0 0.0 5.12 1025 578 A 38 ASP HBx A 41 SER HBx 1.0 0.0 5.12 1026 578 A 41 SER HBy A 38 ASP HBx 1.0 0.0 5.12 1027 579 A 56 LEU HD1% A 8 CYS H 1.0 0.0 5.60 1028 580 A 56 LEU HD1% A 50 ALA H 1.0 0.0 5.59 1029 581 A 60 ILE H A 56 LEU HD1% 1.0 0.0 5.70 1030 581 A 59 THR H A 56 LEU HD1% 1.0 0.0 5.70 1031 582 A 59 THR HB A 56 LEU HD1% 1.0 0.0 4.98 1032 583 A 56 LEU HD1% A 55 THR HB 1.0 0.0 5.66 1033 583 A 56 LEU HD1% A 53 SER HA 1.0 0.0 5.66 1034 584 A 56 LEU HA A 56 LEU HD1% 1.0 0.0 3.64 1035 585 A 56 LEU HD1% A 8 CYS HBx 1.0 0.0 4.47 1036 585 A 56 LEU HD1% A 8 CYS HBy 1.0 0.0 4.47 1037 586 A 56 LEU HD1% A 56 LEU HBy 1.0 0.0 4.05 1038 587 A 56 LEU HD1% A 7 VAL HB 1.0 0.0 4.39 1039 587 A 56 LEU HD1% A 60 ILE HB 1.0 0.0 4.39 1040 587 A 48 VAL HB A 56 LEU HD1% 1.0 0.0 4.39 1041 588 A 56 LEU HD1% A 50 ALA HB% 1.0 0.0 4.05 1042 589 A 59 THR HG2% A 56 LEU HD1% 1.0 0.0 5.14 1043 590 A 34 VAL HA A 46 VAL HA 1.0 0.0 3.80 1044 591 A 36 VAL HB A 34 VAL HA 1.0 0.0 4.65 1045 591 A 46 VAL HB A 34 VAL HA 1.0 0.0 4.65 1046 592 A 46 VAL HG2% A 34 VAL HA 1.0 0.0 3.37 1047 592 A 34 VAL HG1% A 34 VAL HA 1.0 0.0 3.37 1048 593 A 56 LEU HD1% A 56 LEU H 1.0 0.0 5.30 1049 594 A 66 VAL HG2% A 63 VAL H 1.0 0.0 5.55 1050 595 A 46 VAL HB A 34 VAL HA 1.0 0.0 5.14 1051 596 A 16 SER HBx A 17 GLU HGx 1.0 0.0 5.22 1052 596 A 16 SER HBy A 17 GLU HGx 1.0 0.0 5.22 1053 596 A 17 GLU HGy A 16 SER HBx 1.0 0.0 5.22 1054 596 A 17 GLU HGy A 16 SER HBy 1.0 0.0 5.22 1055 597 A 68 GLY H A 66 VAL HG2% 1.0 0.0 4.28 1056 597 A 67 GLU H A 66 VAL HG2% 1.0 0.0 4.28 1057 598 A 26 LEU HA A 66 VAL HG2% 1.0 0.0 3.43 1058 598 A 63 VAL HA A 66 VAL HG2% 1.0 0.0 3.43 1059 599 A 26 LEU HD2% A 66 VAL HG2% 1.0 0.0 3.72 1060 600 A 42 GLY HAy A 16 SER HBy 1.0 0.0 3.75 1061 600 A 15 LYS HA A 16 SER HBx 1.0 0.0 3.75 1062 600 A 17 GLU HA A 16 SER HBy 1.0 0.0 3.75 1063 600 A 15 LYS HA A 16 SER HBy 1.0 0.0 3.75 1064 600 A 42 GLY HAy A 16 SER HBx 1.0 0.0 3.75 1065 600 A 17 GLU HA A 16 SER HBx 1.0 0.0 3.75 1066 601 A 19 ILE HA A 16 SER HBx 1.0 0.0 4.47 1067 601 A 42 GLY HAx A 16 SER HBx 1.0 0.0 4.47 1068 601 A 19 ILE HA A 16 SER HBy 1.0 0.0 4.47 1069 601 A 42 GLY HAx A 16 SER HBy 1.0 0.0 4.47 1070 602 A 19 ILE HG1y A 16 SER HBx 1.0 0.0 4.05 1071 602 A 19 ILE HG1y A 16 SER HBy 1.0 0.0 4.05 1072 603 A 70 LEU HD2% A 16 SER HBy 1.0 0.0 5.59 1073 603 A 70 LEU HD2% A 16 SER HBx 1.0 0.0 5.59 1074 603 A 19 ILE HG2% A 16 SER HBy 1.0 0.0 5.59 1075 603 A 16 SER HBx A 70 LEU HD1% 1.0 0.0 5.59 1076 603 A 19 ILE HG2% A 16 SER HBx 1.0 0.0 5.59 1077 603 A 16 SER HBy A 70 LEU HD1% 1.0 0.0 5.59 1078 604 A 19 ILE HD1% A 16 SER HBx 1.0 0.0 4.95 1079 604 A 19 ILE HD1% A 16 SER HBy 1.0 0.0 4.95 1080 605 A 14 ALA HB% A 70 LEU H 1.0 0.0 4.52 1081 606 A 18 ARG H A 14 ALA HB% 1.0 0.0 5.41 1082 606 A 69 VAL H A 14 ALA HB% 1.0 0.0 5.41 1083 607 A 68 GLY HAy A 14 ALA HB% 1.0 0.0 4.73 1084 607 A 15 LYS HA A 14 ALA HB% 1.0 0.0 4.73 1085 608 A 19 ILE HA A 14 ALA HB% 1.0 0.0 4.42 1086 609 A 14 ALA HB% A 14 ALA H 1.0 0.0 3.89 1087 610 A 15 LYS H A 14 ALA HB% 1.0 0.0 3.67 1088 611 A 14 ALA HB% A 71 ALA H 1.0 0.0 5.70 1089 612 A 14 ALA HB% A 13 GLN HA 1.0 0.0 4.76 1090 613 A 69 VAL HA A 14 ALA HB% 1.0 0.0 3.93 1091 614 A 14 ALA HB% A 15 LYS HDx 1.0 0.0 4.48 1092 614 A 14 ALA HB% A 18 ARG HBx 1.0 0.0 4.48 1093 614 A 14 ALA HB% A 15 LYS HDy 1.0 0.0 4.48 1094 615 A 14 ALA HB% A 44 LEU HBx 1.0 0.0 3.99 1095 615 A 14 ALA HB% A 15 LYS HBx 1.0 0.0 3.99 1096 615 A 14 ALA HB% A 44 LEU HBy 1.0 0.0 3.99 1097 615 A 14 ALA HB% A 15 LYS HGx 1.0 0.0 3.99 1098 615 A 14 ALA HB% A 44 LEU HG 1.0 0.0 3.99 1099 616 A 14 ALA HB% A 70 LEU HBx 1.0 0.0 4.05 1100 616 A 14 ALA HB% A 19 ILE HG1x 1.0 0.0 4.05 1101 617 A 14 ALA HB% A 69 VAL HGx% 1.0 0.0 3.52 1102 617 A 14 ALA HB% A 12 VAL HG1% 1.0 0.0 3.52 1103 617 A 69 VAL HGy% A 14 ALA HB% 1.0 0.0 3.52 1104 618 A 19 ILE HD1% A 14 ALA HB% 1.0 0.0 3.21 1105 618 A 22 ILE HD1% A 14 ALA HB% 1.0 0.0 3.21 1106 619 A 18 ARG H A 16 SER HBx 1.0 0.0 5.25 1107 619 A 18 ARG H A 16 SER HBy 1.0 0.0 5.25 1108 620 A 18 ARG H A 16 SER HA 1.0 0.0 5.15 1109 621 A 19 ILE HG1y A 16 SER HA 1.0 0.0 3.69 1110 621 A 16 SER HA A 19 ILE HG1x 1.0 0.0 3.69 1111 622 A 19 ILE H A 16 SER HA 1.0 0.0 4.77 1112 623 A 23 SER HBx A 20 SER HA 1.0 0.0 4.61 1113 624 A 50 ALA HB% A 56 LEU H 1.0 0.0 4.30 1114 625 A 48 VAL HG1% A 50 ALA HB% 1.0 0.0 3.90 1115 625 A 56 LEU HD1% A 50 ALA HB% 1.0 0.0 3.90 1116 626 A 50 ALA HB% A 50 ALA H 1.0 0.0 4.16 1117 627 A 51 GLU H A 50 ALA HB% 1.0 0.0 4.10 1118 628 A 5 TRP HE3 A 50 ALA HB% 1.0 0.0 4.12 1119 628 A 52 ASP H A 50 ALA HB% 1.0 0.0 4.12 1120 629 A 55 THR HB A 50 ALA HB% 1.0 0.0 4.03 1121 630 A 56 LEU HA A 50 ALA HB% 1.0 0.0 3.96 1122 631 A 50 ALA HB% A 49 GLU HBx 1.0 0.0 4.25 1123 631 A 49 GLU HBy A 50 ALA HB% 1.0 0.0 4.25 1124 631 A 56 LEU HBy A 50 ALA HB% 1.0 0.0 4.25 1125 632 A 50 ALA HB% A 51 GLU HBx 1.0 0.0 3.99 1126 632 A 56 LEU HG A 50 ALA HB% 1.0 0.0 3.99 1127 633 A 22 ILE HA A 69 VAL HGx% 1.0 0.0 5.39 1128 633 A 63 VAL HA A 69 VAL HGx% 1.0 0.0 5.39 1129 633 A 63 VAL HA A 69 VAL HGy% 1.0 0.0 5.39 1130 633 A 69 VAL HGy% A 22 ILE HA 1.0 0.0 5.39 1131 634 A 22 ILE HD1% A 69 VAL HGx% 1.0 0.0 3.35 1132 634 A 22 ILE HG2% A 69 VAL HGx% 1.0 0.0 3.35 1133 634 A 69 VAL HGy% A 22 ILE HG2% 1.0 0.0 3.35 1134 634 A 69 VAL HGy% A 22 ILE HD1% 1.0 0.0 3.35 1135 635 A 42 GLY HAy A 16 SER HA 1.0 0.0 4.31 1136 635 A 20 SER HA A 23 SER HBy 1.0 0.0 4.31 1137 636 A 15 LYS HBy A 16 SER HA 1.0 0.0 4.20 1138 636 A 19 ILE HB A 16 SER HA 1.0 0.0 4.20 1139 637 A 19 ILE HD1% A 16 SER HA 1.0 0.0 4.39 1140 638 A 54 GLU HBy A 53 SER HBy 1.0 0.0 4.24 1141 638 A 6 GLN HGx A 53 SER HBx 1.0 0.0 4.24 1142 638 A 56 LEU HBy A 53 SER HBy 1.0 0.0 4.24 1143 638 A 54 GLU HBy A 53 SER HBx 1.0 0.0 4.24 1144 638 A 56 LEU HBy A 53 SER HBx 1.0 0.0 4.24 1145 638 A 25 GLN HBy A 23 SER HA 1.0 0.0 4.24 1146 638 A 6 GLN HGx A 53 SER HBy 1.0 0.0 4.24 1147 639 A 54 GLU H A 53 SER HBx 1.0 0.0 4.04 1148 639 A 55 THR H A 53 SER HBx 1.0 0.0 4.04 1149 639 A 55 THR H A 53 SER HBy 1.0 0.0 4.04 1150 639 A 54 GLU H A 53 SER HBy 1.0 0.0 4.04 1151 640 A 3 THR HA A 3 THR HG2% 1.0 0.0 4.07 1152 641 A 23 SER H A 23 SER HBy 1.0 0.0 3.58 1153 642 A 24 THR H A 23 SER HBy 1.0 0.0 4.11 1154 643 A 24 THR H A 23 SER HBx 1.0 0.0 4.04 1155 644 A 22 ILE HB A 23 SER HA 1.0 0.0 4.08 1156 644 A 23 SER HA A 26 LEU HBy 1.0 0.0 4.08 1157 645 A 19 ILE HG2% A 23 SER HA 1.0 0.0 3.86 1158 645 A 57 ILE HD1% A 53 SER HBx 1.0 0.0 3.86 1159 645 A 34 VAL HG1% A 23 SER HA 1.0 0.0 3.86 1160 645 A 44 LEU HD2% A 23 SER HA 1.0 0.0 3.86 1161 645 A 57 ILE HD1% A 53 SER HBy 1.0 0.0 3.86 1162 646 A 22 ILE HG2% A 23 SER HA 1.0 0.0 4.07 1163 646 A 23 SER HA A 26 LEU HD1% 1.0 0.0 4.07 1164 647 A 48 VAL HB A 47 VAL HA 1.0 0.0 4.57 1165 648 A 9 SER HA A 47 VAL HA 1.0 0.0 3.69 1166 649 A 47 VAL HG1% A 47 VAL HA 1.0 0.0 3.36 1167 650 A 62 SER HA A 65 ASN HBx 1.0 0.0 4.02 1168 651 A 34 VAL HG2% A 34 VAL HA 1.0 0.0 3.69 1169 652 A 35 ALA H A 34 VAL HG2% 1.0 0.0 4.61 1170 653 A 34 VAL HG2% A 27 ASN H 1.0 0.0 4.95 1171 654 A 34 VAL HG2% A 27 ASN HBx 1.0 0.0 4.67 1172 654 A 27 ASN HBy A 34 VAL HG2% 1.0 0.0 4.67 1173 655 A 64 ARG H A 72 VAL HGx% 1.0 0.0 5.50 1174 655 A 72 VAL HGy% A 64 ARG H 1.0 0.0 5.50 1175 656 A 64 ARG HDx A 72 VAL HGx% 1.0 0.0 5.20 1176 656 A 64 ARG HDy A 72 VAL HGx% 1.0 0.0 5.20 1177 656 A 72 VAL HGy% A 64 ARG HDx 1.0 0.0 5.20 1178 656 A 72 VAL HGy% A 64 ARG HDy 1.0 0.0 5.20 1179 657 A 10 LEU HBx A 72 VAL HGx% 1.0 0.0 3.77 1180 657 A 72 VAL HGy% A 10 LEU HBx 1.0 0.0 3.77 1181 657 A 10 LEU HBx A 46 VAL HG2% 1.0 0.0 3.77 1182 658 A 62 SER HA A 62 SER HBx 1.0 0.0 2.95 1183 659 A 62 SER H A 62 SER HBy 1.0 0.0 3.46 1184 659 A 63 VAL H A 62 SER HBy 1.0 0.0 3.46 1185 660 A 62 SER HBy A 29 PHE HZ 1.0 0.0 5.35 1186 660 A 29 PHE HE% A 62 SER HBy 1.0 0.0 5.35 1187 661 A 62 SER HBy A 29 PHE HZ 1.0 0.0 5.26 1188 662 A 65 ASN HBx A 62 SER HBy 1.0 0.0 5.07 1189 663 A 63 VAL HB A 62 SER HBy 1.0 0.0 5.32 1190 664 A 63 VAL H A 62 SER HBx 1.0 0.0 3.68 1191 664 A 62 SER H A 62 SER HBx 1.0 0.0 3.68 1192 665 A 65 ASN H A 62 SER HBx 1.0 0.0 5.15 1193 665 A 29 PHE HD% A 62 SER HBx 1.0 0.0 5.15 1194 666 A 29 PHE HE% A 62 SER HBx 1.0 0.0 4.67 1195 667 A 65 ASN HBx A 62 SER HBx 1.0 0.0 5.17 1196 668 A 34 VAL H A 46 VAL HG2% 1.0 0.0 3.94 1197 668 A 46 VAL H A 46 VAL HG2% 1.0 0.0 3.94 1198 669 A 11 VAL H A 72 VAL HGx% 1.0 0.0 5.02 1199 669 A 72 VAL HGy% A 11 VAL H 1.0 0.0 5.02 1200 669 A 35 ALA H A 46 VAL HG2% 1.0 0.0 5.02 1201 670 A 76 TYR H A 75 VAL HA 1.0 0.0 3.37 1202 671 A 75 VAL HA A 75 VAL HGx% 1.0 0.0 3.34 1203 671 A 75 VAL HGy% A 75 VAL HA 1.0 0.0 3.34 1204 672 A 59 THR HG2% A 63 VAL HG2% 1.0 0.0 3.77 1205 673 A 64 ARG HA A 72 VAL HGx% 1.0 0.0 3.70 1206 673 A 64 ARG HA A 72 VAL HGy% 1.0 0.0 3.70 1207 674 A 26 LEU HBx A 46 VAL HG2% 1.0 0.0 3.14 1208 675 A 26 LEU HD1% A 12 VAL HG1% 1.0 0.0 3.05 1209 675 A 26 LEU HD1% A 46 VAL HG2% 1.0 0.0 3.05 1210 676 A 46 VAL HG2% A 44 LEU HBx 1.0 0.0 3.17 1211 676 A 12 VAL HG1% A 44 LEU HBx 1.0 0.0 3.17 1212 676 A 44 LEU HBy A 46 VAL HG2% 1.0 0.0 3.17 1213 676 A 44 LEU HBy A 12 VAL HG1% 1.0 0.0 3.17 1214 677 A 76 TYR HBx A 75 VAL HA 1.0 0.0 5.09 1215 678 A 75 VAL HA A 74 LEU HBx 1.0 0.0 5.21 1216 678 A 74 LEU HG A 75 VAL HA 1.0 0.0 5.21 1217 678 A 74 LEU HBy A 75 VAL HA 1.0 0.0 5.21 1218 679 A 60 ILE H A 59 THR HG2% 1.0 0.0 4.56 1219 679 A 59 THR H A 59 THR HG2% 1.0 0.0 4.56 1220 680 A 61 GLU H A 59 THR HG2% 1.0 0.0 5.61 1221 680 A 59 THR HG2% A 63 VAL H 1.0 0.0 5.61 1222 680 A 59 THR HG2% A 62 SER H 1.0 0.0 5.61 1223 681 A 59 THR HG2% A 60 ILE HB 1.0 0.0 4.78 1224 681 A 59 THR HG2% A 60 ILE HG1y 1.0 0.0 4.78 1225 682 A 48 VAL HG2% A 59 THR HG2% 1.0 0.0 3.50 1226 682 A 48 VAL HG1% A 59 THR HG2% 1.0 0.0 3.50 1227 683 A 63 VAL H A 63 VAL HG2% 1.0 0.0 3.45 1228 684 A 27 ASN HD22 A 34 VAL HG2% 1.0 0.0 4.27 1229 684 A 29 PHE HD% A 63 VAL HG2% 1.0 0.0 4.27 1230 685 A 60 ILE HA A 63 VAL HG2% 1.0 0.0 4.23 1231 686 A 12 VAL H A 12 VAL HG1% 1.0 0.0 4.08 1232 686 A 70 LEU H A 72 VAL HGx% 1.0 0.0 4.08 1233 686 A 70 LEU H A 12 VAL HG1% 1.0 0.0 4.08 1234 686 A 72 VAL HGy% A 70 LEU H 1.0 0.0 4.08 1235 687 A 12 VAL HG1% A 13 GLN HGx 1.0 0.0 3.29 1236 687 A 69 VAL HB A 12 VAL HG1% 1.0 0.0 3.29 1237 687 A 13 GLN HGy A 12 VAL HG1% 1.0 0.0 3.29 1238 687 A 69 VAL HB A 72 VAL HGy% 1.0 0.0 3.29 1239 687 A 69 VAL HB A 72 VAL HGx% 1.0 0.0 3.29 1240 688 A 71 ALA H A 72 VAL HGx% 1.0 0.0 3.96 1241 688 A 72 VAL HGy% A 71 ALA H 1.0 0.0 3.96 1242 688 A 36 VAL H A 34 VAL HG1% 1.0 0.0 3.96 1243 689 A 11 VAL HA A 11 VAL HG2% 1.0 0.0 3.21 1244 689 A 11 VAL HA A 11 VAL HG1% 1.0 0.0 3.21 1245 689 A 45 ILE HD1% A 11 VAL HA 1.0 0.0 3.21 1246 690 A 20 SER HA A 20 SER HBx 1.0 0.0 2.60 1247 690 A 23 SER HBx A 20 SER HA 1.0 0.0 2.60 1248 690 A 20 SER HA A 20 SER HBy 1.0 0.0 2.60 1249 691 A 19 ILE HG2% A 20 SER HA 1.0 0.0 4.77 1250 692 A 76 TYR HA A 75 VAL HA 1.0 0.0 5.17 1251 692 A 74 LEU HA A 75 VAL HA 1.0 0.0 5.17 1252 693 A 67 GLU H A 66 VAL HG1% 1.0 0.0 3.71 1253 693 A 68 GLY H A 66 VAL HG1% 1.0 0.0 3.71 1254 694 A 66 VAL H A 66 VAL HG1% 1.0 0.0 4.59 1255 695 A 66 VAL HG1% A 22 ILE HA 1.0 0.0 4.03 1256 696 A 33 GLU HGx A 34 VAL HG2% 1.0 0.0 4.05 1257 696 A 66 VAL HG1% A 67 GLU HBy 1.0 0.0 4.05 1258 697 A 26 LEU HG A 34 VAL HG2% 1.0 0.0 4.48 1259 697 A 66 VAL HG1% A 26 LEU HG 1.0 0.0 4.48 1260 697 A 66 VAL HG1% A 22 ILE HG1y 1.0 0.0 4.48 1261 698 A 66 VAL HG1% A 26 LEU HD1% 1.0 0.0 3.58 1262 698 A 66 VAL HG1% A 22 ILE HD1% 1.0 0.0 3.58 1263 698 A 66 VAL HG1% A 22 ILE HG2% 1.0 0.0 3.58 1264 699 A 73 SER H A 72 VAL HGx% 1.0 0.0 3.96 1265 699 A 72 VAL HGy% A 73 SER H 1.0 0.0 3.96 1266 699 A 13 GLN H A 12 VAL HG1% 1.0 0.0 3.96 1267 700 A 12 VAL H A 12 VAL HG2% 1.0 0.0 4.24 1268 700 A 72 VAL HGy% A 70 LEU H 1.0 0.0 4.24 1269 700 A 70 LEU H A 72 VAL HGx% 1.0 0.0 4.24 1270 700 A 70 LEU H A 12 VAL HG1% 1.0 0.0 4.24 1271 700 A 12 VAL H A 12 VAL HG1% 1.0 0.0 4.24 1272 701 A 22 ILE H A 20 SER HA 1.0 0.0 4.41 1273 701 A 23 SER H A 20 SER HA 1.0 0.0 4.41 1274 702 A 12 VAL HG1% A 12 VAL HA 1.0 0.0 4.17 1275 703 A 11 VAL HA A 10 LEU HBx 1.0 0.0 5.26 1276 704 A 36 VAL H A 34 VAL HG1% 1.0 0.0 4.00 1277 705 A 53 SER HA A 55 THR H 1.0 0.0 5.13 1278 706 A 57 ILE H A 53 SER HA 1.0 0.0 4.94 1279 707 A 53 SER HA A 56 LEU H 1.0 0.0 4.27 1280 708 A 53 SER HA A 54 GLU HGx 1.0 0.0 5.11 1281 708 A 6 GLN HGy A 53 SER HA 1.0 0.0 5.11 1282 709 A 53 SER HA A 6 GLN HGx 1.0 0.0 3.40 1283 709 A 56 LEU HBy A 53 SER HA 1.0 0.0 3.40 1284 710 A 53 SER HA A 56 LEU HBx 1.0 0.0 3.90 1285 711 A 56 LEU HD2% A 53 SER HA 1.0 0.0 4.55 1286 711 A 57 ILE HD1% A 53 SER HA 1.0 0.0 4.55 1287 712 A 34 VAL HG1% A 34 VAL HA 1.0 0.0 4.01 1288 713 A 48 VAL HG1% A 59 THR HG2% 1.0 0.0 4.18 1289 714 A 32 CYS HA A 48 VAL HG1% 1.0 0.0 5.27 1290 714 A 48 VAL HG1% A 49 GLU HA 1.0 0.0 5.27 1291 715 A 48 VAL HA A 48 VAL HG1% 1.0 0.0 3.98 1292 716 A 48 VAL HG1% A 50 ALA HB% 1.0 0.0 4.21 1293 717 A 26 LEU HD1% A 12 VAL HG1% 1.0 0.0 3.26 1294 717 A 26 LEU HD1% A 63 VAL HG1% 1.0 0.0 3.26 1295 717 A 12 VAL HG2% A 26 LEU HD1% 1.0 0.0 3.26 1296 718 A 12 VAL H A 12 VAL HG2% 1.0 0.0 3.98 1297 719 A 12 VAL HG2% A 13 GLN H 1.0 0.0 4.58 1298 720 A 12 VAL HG2% A 12 VAL HA 1.0 0.0 4.15 1299 721 A 64 ARG H A 63 VAL HG1% 1.0 0.0 4.22 1300 721 A 63 VAL H A 63 VAL HG1% 1.0 0.0 4.22 1301 722 A 66 VAL HG2% A 63 VAL HG1% 1.0 0.0 3.89 1302 722 A 12 VAL HG2% A 10 LEU HBx 1.0 0.0 3.89 1303 723 A 35 ALA HA A 36 VAL HA 1.0 0.0 4.89 1304 724 A 70 LEU H A 71 ALA HB% 1.0 0.0 5.15 1305 725 A 73 SER H A 71 ALA HB% 1.0 0.0 4.50 1306 725 A 13 GLN H A 71 ALA HB% 1.0 0.0 4.50 1307 726 A 71 ALA H A 71 ALA HB% 1.0 0.0 3.84 1308 727 A 71 ALA HB% A 13 GLN HGx 1.0 0.0 4.16 1309 727 A 13 GLN HGy A 71 ALA HB% 1.0 0.0 4.16 1310 728 A 13 GLN HBy A 71 ALA HB% 1.0 0.0 3.78 1311 729 A 13 GLN HBx A 71 ALA HB% 1.0 0.0 3.61 1312 730 A 72 VAL HGy% A 71 ALA HB% 1.0 0.0 4.21 1313 730 A 71 ALA HB% A 72 VAL HGx% 1.0 0.0 4.21 1314 730 A 12 VAL HG1% A 71 ALA HB% 1.0 0.0 4.21 1315 730 A 69 VAL HGy% A 71 ALA HB% 1.0 0.0 4.21 1316 730 A 71 ALA HB% A 70 LEU HD1% 1.0 0.0 4.21 1317 730 A 70 LEU HD2% A 71 ALA HB% 1.0 0.0 4.21 1318 730 A 71 ALA HB% A 69 VAL HGx% 1.0 0.0 4.21 1319 731 A 51 GLU HBy A 55 THR HG2% 1.0 0.0 4.71 1320 732 A 24 THR HG2% A 24 THR H 1.0 0.0 4.01 1321 732 A 24 THR HG2% A 25 GLN H 1.0 0.0 4.01 1322 733 A 24 THR HG2% A 27 ASN HBx 1.0 0.0 5.04 1323 733 A 27 ASN HBy A 24 THR HG2% 1.0 0.0 5.04 1324 733 A 55 THR HG2% A 52 ASP HBx 1.0 0.0 5.04 1325 734 A 55 THR HG2% A 51 GLU HBx 1.0 0.0 3.85 1326 734 A 28 ALA HB% A 24 THR HG2% 1.0 0.0 3.85 1327 735 A 36 VAL HGy% A 36 VAL HA 1.0 0.0 3.23 1328 735 A 36 VAL HGx% A 36 VAL HA 1.0 0.0 3.23 1329 736 A 52 ASP H A 55 THR HG2% 1.0 0.0 5.08 1330 737 A 51 GLU H A 55 THR HG2% 1.0 0.0 4.47 1331 737 A 55 THR H A 55 THR HG2% 1.0 0.0 4.47 1332 738 A 55 THR HG2% A 58 GLN HBx 1.0 0.0 5.11 1333 738 A 58 GLN HBy A 55 THR HG2% 1.0 0.0 5.11 1334 739 A 72 VAL HB A 72 VAL HA 1.0 0.0 3.22 1335 740 A 48 VAL HG2% A 50 ALA HB% 1.0 0.0 5.51 1336 741 A 12 VAL HG2% A 12 VAL HA 1.0 0.0 3.26 1337 741 A 12 VAL HG1% A 12 VAL HA 1.0 0.0 3.26 1338 742 A 49 GLU HA A 7 VAL HGx% 1.0 0.0 5.51 1339 743 A 47 VAL HG1% A 47 VAL H 1.0 0.0 4.67 1340 743 A 47 VAL HG1% A 8 CYS H 1.0 0.0 4.67 1341 743 A 7 VAL HGx% A 8 CYS H 1.0 0.0 4.67 1342 744 A 7 VAL HA A 7 VAL HGx% 1.0 0.0 4.31 1343 745 A 36 VAL H A 36 VAL HGx% 1.0 0.0 5.37 1344 746 A 48 VAL HG2% A 47 VAL HA 1.0 0.0 4.02 1345 746 A 47 VAL HG1% A 47 VAL HA 1.0 0.0 4.02 1346 747 A 47 VAL HG1% A 8 CYS H 1.0 0.0 5.13 1347 747 A 48 VAL HG2% A 8 CYS H 1.0 0.0 5.13 1348 747 A 47 VAL HG1% A 47 VAL H 1.0 0.0 5.13 1349 748 A 48 VAL HG2% A 9 SER HA 1.0 0.0 4.45 1350 748 A 32 CYS HA A 48 VAL HG2% 1.0 0.0 4.45 1351 748 A 48 VAL HG2% A 49 GLU HA 1.0 0.0 4.45 1352 748 A 9 SER HA A 47 VAL HG1% 1.0 0.0 4.45 1353 749 A 47 VAL HG1% A 10 LEU H 1.0 0.0 5.48 1354 749 A 48 VAL HG2% A 10 LEU H 1.0 0.0 5.48 1355 750 A 48 VAL HA A 47 VAL HG1% 1.0 0.0 4.02 1356 750 A 48 VAL HA A 48 VAL HG2% 1.0 0.0 4.02 1357 751 A 48 VAL HG2% A 60 ILE HA 1.0 0.0 5.27 1358 751 A 48 VAL HG2% A 32 CYS HBy 1.0 0.0 5.27 1359 752 A 48 VAL HG2% A 8 CYS HBx 1.0 0.0 5.56 1360 752 A 47 VAL HG1% A 8 CYS HBx 1.0 0.0 5.56 1361 752 A 47 VAL HG1% A 8 CYS HBy 1.0 0.0 5.56 1362 752 A 48 VAL HG2% A 8 CYS HBy 1.0 0.0 5.56 1363 753 A 48 VAL HG2% A 10 LEU HBy 1.0 0.0 4.05 1364 753 A 48 VAL HG2% A 10 LEU HG 1.0 0.0 4.05 1365 754 A 13 GLN H A 72 VAL HA 1.0 0.0 3.63 1366 754 A 73 SER H A 72 VAL HA 1.0 0.0 3.63 1367 755 A 10 LEU H A 75 VAL HGx% 1.0 0.0 5.28 1368 755 A 10 LEU H A 11 VAL HG1% 1.0 0.0 5.28 1369 755 A 10 LEU H A 75 VAL HGy% 1.0 0.0 5.28 1370 755 A 46 VAL HG1% A 10 LEU H 1.0 0.0 5.28 1371 756 A 8 CYS H A 47 VAL HG2% 1.0 0.0 3.99 1372 756 A 47 VAL H A 47 VAL HG2% 1.0 0.0 3.99 1373 757 A 48 VAL H A 47 VAL HG2% 1.0 0.0 5.16 1374 758 A 9 SER HA A 47 VAL HG2% 1.0 0.0 4.70 1375 759 A 47 VAL HA A 47 VAL HG2% 1.0 0.0 3.94 1376 760 A 9 SER HBx A 47 VAL HG2% 1.0 0.0 5.39 1377 761 A 35 ALA HB% A 47 VAL HG2% 1.0 0.0 3.83 1378 762 A 7 VAL HGy% A 8 CYS H 1.0 0.0 3.89 1379 762 A 46 VAL HG1% A 47 VAL H 1.0 0.0 3.89 1380 763 A 46 VAL HG1% A 32 CYS HBy 1.0 0.0 4.79 1381 764 A 46 VAL HG1% A 32 CYS HBx 1.0 0.0 3.94 1382 765 A 46 VAL HG1% A 26 LEU HBy 1.0 0.0 4.21 1383 765 A 10 LEU HG A 75 VAL HGx% 1.0 0.0 4.21 1384 765 A 10 LEU HG A 75 VAL HGy% 1.0 0.0 4.21 1385 765 A 46 VAL HG1% A 10 LEU HBy 1.0 0.0 4.21 1386 766 A 10 LEU HBx A 75 VAL HGx% 1.0 0.0 4.57 1387 766 A 46 VAL HG1% A 10 LEU HBx 1.0 0.0 4.57 1388 766 A 75 VAL HGy% A 10 LEU HBx 1.0 0.0 4.57 1389 766 A 11 VAL HG1% A 10 LEU HBx 1.0 0.0 4.57 1390 767 A 36 VAL H A 36 VAL HGx% 1.0 0.0 4.17 1391 767 A 36 VAL H A 36 VAL HGy% 1.0 0.0 4.17 1392 768 A 35 ALA HB% A 36 VAL HGx% 1.0 0.0 4.39 1393 768 A 35 ALA HB% A 36 VAL HGy% 1.0 0.0 4.39 1394 769 A 11 VAL HG1% A 44 LEU H 1.0 0.0 4.43 1395 769 A 11 VAL H A 75 VAL HGx% 1.0 0.0 4.43 1396 769 A 11 VAL H A 11 VAL HG1% 1.0 0.0 4.43 1397 769 A 11 VAL H A 75 VAL HGy% 1.0 0.0 4.43 1398 770 A 11 VAL HG1% A 12 VAL H 1.0 0.0 4.20 1399 771 A 11 VAL HG1% A 43 GLN HE22 1.0 0.0 5.47 1400 772 A 11 VAL HA A 11 VAL HG1% 1.0 0.0 3.71 1401 773 A 9 SER HBy A 75 VAL HGx% 1.0 0.0 4.50 1402 773 A 75 VAL HGy% A 9 SER HBy 1.0 0.0 4.50 1403 774 A 7 VAL HGx% A 49 GLU HGx 1.0 0.0 5.03 1404 774 A 38 ASP HBx A 36 VAL HGy% 1.0 0.0 5.03 1405 774 A 49 GLU HGy A 7 VAL HGx% 1.0 0.0 5.03 1406 774 A 38 ASP HBx A 36 VAL HGx% 1.0 0.0 5.03 1407 775 A 45 ILE H A 36 VAL HGy% 1.0 0.0 5.00 1408 775 A 45 ILE H A 36 VAL HGx% 1.0 0.0 5.00 1409 776 A 36 VAL HGy% A 37 SER H 1.0 0.0 4.29 1410 776 A 36 VAL HGx% A 37 SER H 1.0 0.0 4.29 1411 777 A 44 LEU HA A 36 VAL HGy% 1.0 0.0 5.55 1412 777 A 44 LEU HA A 36 VAL HGx% 1.0 0.0 5.55 1413 778 A 7 VAL HGy% A 7 VAL HA 1.0 0.0 4.32 1414 779 A 7 VAL HGy% A 7 VAL H 1.0 0.0 4.95 1415 780 A 10 LEU HA A 11 VAL HG2% 1.0 0.0 4.36 1416 780 A 7 VAL HGy% A 7 VAL HA 1.0 0.0 4.36 1417 781 A 12 VAL H A 11 VAL HG2% 1.0 0.0 4.83 1418 782 A 11 VAL H A 11 VAL HG2% 1.0 0.0 4.06 1419 783 A 11 VAL HA A 11 VAL HG2% 1.0 0.0 3.78 1420 784 A 45 ILE HG1x A 11 VAL HG2% 1.0 0.0 4.24 1421 785 A 49 GLU H A 7 VAL HA 1.0 0.0 4.14 1422 785 A 48 VAL H A 7 VAL HA 1.0 0.0 4.14 1423 786 A 56 LEU HD2% A 7 VAL HA 1.0 0.0 4.08 1424 786 A 48 VAL HG1% A 7 VAL HA 1.0 0.0 4.08 1425 786 A 47 VAL HG1% A 7 VAL HA 1.0 0.0 4.08 1426 786 A 48 VAL HG2% A 7 VAL HA 1.0 0.0 4.08 1427 787 A 48 VAL H A 48 VAL HA 1.0 0.0 3.05 1428 787 A 49 GLU H A 48 VAL HA 1.0 0.0 3.05 1429 788 A 48 VAL HA A 49 GLU HA 1.0 0.0 4.01 1430 788 A 32 CYS HA A 48 VAL HA 1.0 0.0 4.01 1431 789 A 48 VAL HA A 48 VAL HG2% 1.0 0.0 3.57 1432 789 A 48 VAL HA A 48 VAL HG1% 1.0 0.0 3.57 1433 790 A 35 ALA HB% A 33 GLU HBx 1.0 0.0 4.58 1434 790 A 33 GLU HBy A 35 ALA HB% 1.0 0.0 4.58 1435 790 A 35 ALA HB% A 36 VAL HB 1.0 0.0 4.58 1436 791 A 35 ALA HB% A 45 ILE HB 1.0 0.0 4.16 1437 792 A 35 ALA HB% A 36 VAL HGx% 1.0 0.0 3.58 1438 792 A 35 ALA HB% A 47 VAL HG2% 1.0 0.0 3.58 1439 792 A 35 ALA HB% A 36 VAL HGy% 1.0 0.0 3.58 1440 793 A 58 GLN H A 54 GLU HA 1.0 0.0 4.97 1441 794 A 87 PRO HDy A 86 THR HA 1.0 0.0 3.18 1442 795 A 87 PRO HDx A 86 THR HA 1.0 0.0 3.47 1443 796 A 86 THR HG2% A 86 THR HA 1.0 0.0 3.95 1444 797 A 57 ILE H A 54 GLU HA 1.0 0.0 4.20 1445 798 A 54 GLU HA A 54 GLU HGx 1.0 0.0 3.60 1446 798 A 54 GLU HA A 54 GLU HGy 1.0 0.0 3.60 1447 799 A 54 GLU HA A 54 GLU HBx 1.0 0.0 3.06 1448 799 A 54 GLU HA A 57 ILE HB 1.0 0.0 3.06 1449 800 A 57 ILE HG1x A 54 GLU HA 1.0 0.0 4.50 1450 801 A 35 ALA H A 46 VAL H 1.0 0.0 4.42 1451 801 A 35 ALA H A 34 VAL H 1.0 0.0 4.42 1452 802 A 35 ALA H A 45 ILE H 1.0 0.0 5.40 1453 803 A 35 ALA H A 36 VAL H 1.0 0.0 3.46 1454 804 A 35 ALA H A 46 VAL HA 1.0 0.0 3.75 1455 805 A 35 ALA H A 34 VAL HA 1.0 0.0 3.07 1456 806 A 35 ALA HB% A 35 ALA H 1.0 0.0 3.56 1457 807 A 35 ALA H A 46 VAL HG2% 1.0 0.0 3.73 1458 807 A 35 ALA H A 34 VAL HG1% 1.0 0.0 3.73 1459 808 A 11 VAL H A 12 VAL H 1.0 0.0 4.06 1460 808 A 44 LEU H A 12 VAL H 1.0 0.0 4.06 1461 809 A 45 ILE H A 12 VAL H 1.0 0.0 5.11 1462 809 A 12 VAL H A 13 GLN H 1.0 0.0 5.11 1463 810 A 43 GLN HA A 12 VAL H 1.0 0.0 5.28 1464 811 A 45 ILE HA A 12 VAL H 1.0 0.0 4.36 1465 812 A 11 VAL HA A 12 VAL H 1.0 0.0 3.02 1466 813 A 12 VAL H A 12 VAL HB 1.0 0.0 3.39 1467 814 A 12 VAL H A 44 LEU HBx 1.0 0.0 4.26 1468 814 A 12 VAL H A 44 LEU HBy 1.0 0.0 4.26 1469 815 A 12 VAL H A 12 VAL HG1% 1.0 0.0 3.38 1470 815 A 45 ILE HD1% A 12 VAL H 1.0 0.0 3.38 1471 815 A 11 VAL HG1% A 12 VAL H 1.0 0.0 3.38 1472 815 A 12 VAL H A 12 VAL HG2% 1.0 0.0 3.38 1473 816 A 67 GLU H A 69 VAL H 1.0 0.0 5.70 1474 817 A 66 VAL H A 67 GLU H 1.0 0.0 4.68 1475 818 A 67 GLU H A 66 VAL HA 1.0 0.0 2.76 1476 819 A 70 LEU H A 13 GLN H 1.0 0.0 5.16 1477 820 A 70 LEU H A 13 GLN HGx 1.0 0.0 4.99 1478 820 A 70 LEU H A 13 GLN HGy 1.0 0.0 4.99 1479 820 A 69 VAL HB A 70 LEU H 1.0 0.0 4.99 1480 821 A 70 LEU H A 72 VAL H 1.0 0.0 5.18 1481 821 A 15 LYS H A 70 LEU H 1.0 0.0 5.18 1482 822 A 14 ALA HA A 70 LEU H 1.0 0.0 3.87 1483 823 A 70 LEU H A 70 LEU HG 1.0 0.0 3.92 1484 824 A 70 LEU HBx A 70 LEU H 1.0 0.0 3.68 1485 825 A 70 LEU H A 69 VAL HGx% 1.0 0.0 3.70 1486 825 A 69 VAL HGy% A 70 LEU H 1.0 0.0 3.70 1487 826 A 6 GLN HGx A 5 TRP HE1 1.0 0.0 5.24 1488 826 A 5 TRP HE1 A 49 GLU HBx 1.0 0.0 5.24 1489 826 A 6 GLN HBy A 5 TRP HE1 1.0 0.0 5.24 1490 826 A 49 GLU HBy A 5 TRP HE1 1.0 0.0 5.24 1491 827 A 4 ASN HA A 5 TRP HE1 1.0 0.0 5.06 1492 828 A 48 VAL H A 47 VAL H 1.0 0.0 5.13 1493 829 A 33 GLU H A 47 VAL H 1.0 0.0 4.08 1494 830 A 9 SER HA A 47 VAL H 1.0 0.0 5.02 1495 830 A 32 CYS HA A 47 VAL H 1.0 0.0 5.02 1496 831 A 47 VAL H A 46 VAL HA 1.0 0.0 3.22 1497 832 A 47 VAL H A 34 VAL HA 1.0 0.0 4.20 1498 833 A 47 VAL H A 47 VAL HB 1.0 0.0 3.43 1499 834 A 35 ALA HB% A 47 VAL H 1.0 0.0 5.21 1500 835 A 46 VAL HG2% A 47 VAL H 1.0 0.0 3.67 1501 835 A 46 VAL HG1% A 47 VAL H 1.0 0.0 3.67 1502 836 A 43 GLN HA A 14 ALA H 1.0 0.0 4.37 1503 837 A 14 ALA H A 13 GLN HBy 1.0 0.0 4.53 1504 838 A 13 GLN HA A 14 ALA H 1.0 0.0 3.04 1505 839 A 14 ALA H A 42 GLY HAy 1.0 0.0 4.68 1506 840 A 19 ILE HA A 14 ALA H 1.0 0.0 5.00 1507 840 A 42 GLY HAx A 14 ALA H 1.0 0.0 5.00 1508 841 A 14 ALA H A 13 GLN HGx 1.0 0.0 4.46 1509 841 A 14 ALA H A 13 GLN HGy 1.0 0.0 4.46 1510 842 A 14 ALA H A 70 LEU HD1% 1.0 0.0 4.54 1511 842 A 70 LEU HD2% A 14 ALA H 1.0 0.0 4.54 1512 842 A 14 ALA H A 12 VAL HG1% 1.0 0.0 4.54 1513 843 A 46 VAL H A 44 LEU H 1.0 0.0 4.50 1514 843 A 11 VAL H A 46 VAL H 1.0 0.0 4.50 1515 843 A 35 ALA H A 46 VAL H 1.0 0.0 4.50 1516 844 A 46 VAL H A 34 VAL HA 1.0 0.0 5.59 1517 845 A 10 LEU H A 46 VAL H 1.0 0.0 3.97 1518 846 A 46 VAL H A 45 ILE H 1.0 0.0 5.41 1519 847 A 9 SER HA A 46 VAL H 1.0 0.0 5.29 1520 848 A 45 ILE HA A 46 VAL H 1.0 0.0 3.04 1521 849 A 11 VAL HA A 46 VAL H 1.0 0.0 4.50 1522 850 A 46 VAL H A 9 SER HBx 1.0 0.0 5.70 1523 851 A 46 VAL HB A 46 VAL H 1.0 0.0 3.68 1524 852 A 10 LEU HBy A 46 VAL H 1.0 0.0 4.46 1525 853 A 46 VAL HG1% A 46 VAL H 1.0 0.0 3.34 1526 853 A 45 ILE HD1% A 46 VAL H 1.0 0.0 3.34 1527 853 A 46 VAL H A 46 VAL HG2% 1.0 0.0 3.34 1528 853 A 45 ILE HG2% A 46 VAL H 1.0 0.0 3.34 1529 854 A 48 VAL H A 47 VAL H 1.0 0.0 4.15 1530 854 A 48 VAL H A 8 CYS H 1.0 0.0 4.15 1531 855 A 48 VAL H A 8 CYS HBx 1.0 0.0 5.44 1532 855 A 48 VAL H A 8 CYS HBy 1.0 0.0 5.44 1533 856 A 48 VAL H A 48 VAL HB 1.0 0.0 3.76 1534 857 A 48 VAL H A 10 LEU H 1.0 0.0 5.70 1535 858 A 48 VAL H A 49 GLU HA 1.0 0.0 4.64 1536 858 A 48 VAL H A 9 SER HA 1.0 0.0 4.64 1537 859 A 48 VAL H A 47 VAL HA 1.0 0.0 3.19 1538 860 A 48 VAL H A 48 VAL HG2% 1.0 0.0 3.58 1539 860 A 48 VAL H A 47 VAL HG1% 1.0 0.0 3.58 1540 861 A 35 ALA H A 34 VAL H 1.0 0.0 5.14 1541 862 A 34 VAL H A 33 GLU H 1.0 0.0 5.05 1542 863 A 34 VAL H A 27 ASN HD21 1.0 0.0 4.87 1543 864 A 33 GLU HA A 34 VAL H 1.0 0.0 3.11 1544 865 A 34 VAL H A 27 ASN HBx 1.0 0.0 5.16 1545 865 A 27 ASN HBy A 34 VAL H 1.0 0.0 5.16 1546 866 A 34 VAL H A 34 VAL HB 1.0 0.0 3.26 1547 867 A 34 VAL H A 34 VAL HG2% 1.0 0.0 3.66 1548 868 A 39 ALA H A 38 ASP H 1.0 0.0 5.70 1549 869 A 39 ALA H A 38 ASP HA 1.0 0.0 3.55 1550 870 A 39 ALA H A 40 PRO HDy 1.0 0.0 4.42 1551 871 A 39 ALA H A 40 PRO HDx 1.0 0.0 4.32 1552 872 A 39 ALA H A 38 ASP HBy 1.0 0.0 5.50 1553 873 A 39 ALA H A 40 PRO HBy 1.0 0.0 5.27 1554 873 A 39 ALA H A 38 ASP HBx 1.0 0.0 5.27 1555 874 A 39 ALA HB% A 39 ALA H 1.0 0.0 3.86 1556 875 A 19 ILE HG2% A 39 ALA H 1.0 0.0 5.34 1557 876 A 73 SER HA A 74 LEU H 1.0 0.0 3.24 1558 877 A 74 LEU H A 73 SER HBy 1.0 0.0 4.12 1559 878 A 74 LEU H A 74 LEU HBx 1.0 0.0 3.20 1560 878 A 74 LEU H A 74 LEU HBy 1.0 0.0 3.20 1561 879 A 75 VAL HGy% A 74 LEU H 1.0 0.0 4.34 1562 879 A 74 LEU H A 75 VAL HGx% 1.0 0.0 4.34 1563 879 A 74 LEU HD2% A 74 LEU H 1.0 0.0 4.34 1564 879 A 74 LEU H A 74 LEU HD1% 1.0 0.0 4.34 1565 880 A 14 ALA H A 13 GLN H 1.0 0.0 5.22 1566 881 A 13 GLN H A 72 VAL HA 1.0 0.0 4.20 1567 882 A 13 GLN H A 12 VAL HA 1.0 0.0 3.01 1568 883 A 13 GLN H A 13 GLN HGx 1.0 0.0 4.20 1569 883 A 13 GLN HGy A 13 GLN H 1.0 0.0 4.20 1570 884 A 13 GLN HBy A 13 GLN H 1.0 0.0 3.78 1571 885 A 13 GLN HBx A 13 GLN H 1.0 0.0 3.52 1572 886 A 72 VAL HGy% A 13 GLN H 1.0 0.0 3.51 1573 886 A 13 GLN H A 12 VAL HG1% 1.0 0.0 3.51 1574 886 A 13 GLN H A 72 VAL HGx% 1.0 0.0 3.51 1575 887 A 12 VAL H A 13 GLN H 1.0 0.0 4.70 1576 887 A 70 LEU H A 13 GLN H 1.0 0.0 4.70 1577 888 A 13 GLN H A 73 SER HBy 1.0 0.0 5.70 1578 888 A 69 VAL HA A 13 GLN H 1.0 0.0 5.70 1579 889 A 70 LEU HBx A 13 GLN H 1.0 0.0 4.60 1580 889 A 13 GLN H A 71 ALA HB% 1.0 0.0 4.60 1581 890 A 76 TYR HBx A 76 TYR H 1.0 0.0 4.05 1582 891 A 75 VAL HB A 76 TYR H 1.0 0.0 4.81 1583 892 A 76 TYR H A 75 VAL HGx% 1.0 0.0 4.33 1584 892 A 74 LEU HD1% A 76 TYR H 1.0 0.0 4.33 1585 892 A 75 VAL HGy% A 76 TYR H 1.0 0.0 4.33 1586 892 A 74 LEU HD2% A 76 TYR H 1.0 0.0 4.33 1587 893 A 75 VAL H A 76 TYR H 1.0 0.0 4.85 1588 894 A 74 LEU HA A 76 TYR H 1.0 0.0 4.77 1589 895 A 36 VAL HA A 38 ASP H 1.0 0.0 5.11 1590 895 A 39 ALA HA A 38 ASP H 1.0 0.0 5.11 1591 896 A 38 ASP HBy A 38 ASP H 1.0 0.0 3.89 1592 897 A 34 VAL HG1% A 38 ASP H 1.0 0.0 4.29 1593 897 A 19 ILE HG2% A 38 ASP H 1.0 0.0 4.29 1594 898 A 37 SER HA A 38 ASP H 1.0 0.0 3.31 1595 899 A 37 SER HBx A 38 ASP H 1.0 0.0 4.20 1596 900 A 38 ASP HBx A 38 ASP H 1.0 0.0 4.00 1597 901 A 39 ALA HB% A 38 ASP H 1.0 0.0 4.59 1598 901 A 38 ASP H A 44 LEU HBx 1.0 0.0 4.59 1599 901 A 44 LEU HG A 38 ASP H 1.0 0.0 4.59 1600 901 A 44 LEU HBy A 38 ASP H 1.0 0.0 4.59 1601 902 A 19 ILE HD1% A 38 ASP H 1.0 0.0 5.70 1602 903 A 66 VAL H A 68 GLY H 1.0 0.0 4.55 1603 903 A 66 VAL H A 67 GLU H 1.0 0.0 4.55 1604 904 A 65 ASN H A 66 VAL H 1.0 0.0 3.38 1605 905 A 66 VAL H A 65 ASN HBy 1.0 0.0 5.53 1606 906 A 66 VAL H A 65 ASN HBx 1.0 0.0 4.64 1607 907 A 66 VAL H A 66 VAL HB 1.0 0.0 3.01 1608 908 A 66 VAL H A 66 VAL HG2% 1.0 0.0 3.45 1609 909 A 10 LEU HA A 75 VAL H 1.0 0.0 4.30 1610 910 A 74 LEU HA A 75 VAL H 1.0 0.0 3.26 1611 911 A 75 VAL H A 9 SER HBy 1.0 0.0 5.70 1612 912 A 75 VAL H A 8 CYS HBx 1.0 0.0 5.45 1613 912 A 75 VAL H A 8 CYS HBy 1.0 0.0 5.45 1614 913 A 75 VAL H A 75 VAL HB 1.0 0.0 3.75 1615 914 A 75 VAL H A 74 LEU HBx 1.0 0.0 4.08 1616 914 A 75 VAL H A 74 LEU HBy 1.0 0.0 4.08 1617 914 A 75 VAL H A 74 LEU HG 1.0 0.0 4.08 1618 915 A 75 VAL H A 75 VAL HGx% 1.0 0.0 3.68 1619 915 A 74 LEU HD2% A 75 VAL H 1.0 0.0 3.68 1620 915 A 75 VAL HGy% A 75 VAL H 1.0 0.0 3.68 1621 916 A 55 THR H A 56 LEU H 1.0 0.0 3.69 1622 917 A 56 LEU HBy A 56 LEU H 1.0 0.0 3.41 1623 918 A 56 LEU HBx A 56 LEU H 1.0 0.0 3.39 1624 919 A 57 ILE H A 56 LEU H 1.0 0.0 3.80 1625 920 A 53 SER HA A 56 LEU H 1.0 0.0 3.54 1626 920 A 55 THR HB A 56 LEU H 1.0 0.0 3.54 1627 921 A 49 GLU H A 49 GLU HGx 1.0 0.0 4.36 1628 921 A 49 GLU H A 49 GLU HGy 1.0 0.0 4.36 1629 922 A 49 GLU H A 48 VAL HA 1.0 0.0 3.37 1630 923 A 49 GLU H A 49 GLU HBx 1.0 0.0 4.17 1631 923 A 49 GLU H A 49 GLU HBy 1.0 0.0 4.17 1632 924 A 49 GLU H A 48 VAL HG2% 1.0 0.0 4.20 1633 924 A 49 GLU H A 48 VAL HG1% 1.0 0.0 4.20 1634 925 A 29 PHE H A 30 PRO HDy 1.0 0.0 5.70 1635 926 A 29 PHE H A 29 PHE HBy 1.0 0.0 3.28 1636 927 A 29 PHE H A 32 CYS HBy 1.0 0.0 4.94 1637 928 A 29 PHE H A 29 PHE HBx 1.0 0.0 3.75 1638 929 A 29 PHE H A 32 CYS HBx 1.0 0.0 4.90 1639 930 A 29 PHE H A 26 LEU HD2% 1.0 0.0 5.70 1640 931 A 29 PHE HD% A 63 VAL H 1.0 0.0 4.97 1641 931 A 65 ASN H A 63 VAL H 1.0 0.0 4.97 1642 932 A 63 VAL H A 29 PHE HE% 1.0 0.0 5.70 1643 933 A 63 VAL H A 62 SER HBy 1.0 0.0 4.21 1644 934 A 60 ILE HA A 63 VAL H 1.0 0.0 4.35 1645 935 A 63 VAL HB A 63 VAL H 1.0 0.0 3.44 1646 936 A 64 ARG HBy A 63 VAL H 1.0 0.0 5.20 1647 936 A 64 ARG HBx A 63 VAL H 1.0 0.0 5.20 1648 936 A 63 VAL H A 60 ILE HG1y 1.0 0.0 5.20 1649 937 A 60 ILE HG2% A 63 VAL H 1.0 0.0 4.36 1650 937 A 63 VAL H A 63 VAL HG1% 1.0 0.0 4.36 1651 938 A 48 VAL H A 8 CYS H 1.0 0.0 4.00 1652 939 A 9 SER HA A 8 CYS H 1.0 0.0 4.69 1653 939 A 49 GLU HA A 8 CYS H 1.0 0.0 4.69 1654 940 A 7 VAL HA A 8 CYS H 1.0 0.0 3.28 1655 941 A 8 CYS H A 8 CYS HBx 1.0 0.0 4.19 1656 941 A 8 CYS HBy A 8 CYS H 1.0 0.0 4.19 1657 942 A 48 VAL HB A 8 CYS H 1.0 0.0 4.19 1658 942 A 7 VAL HB A 8 CYS H 1.0 0.0 4.19 1659 943 A 7 VAL HGy% A 8 CYS H 1.0 0.0 3.94 1660 943 A 48 VAL HG2% A 8 CYS H 1.0 0.0 3.94 1661 944 A 11 VAL H A 73 SER H 1.0 0.0 4.51 1662 945 A 11 VAL H A 10 LEU HA 1.0 0.0 3.12 1663 946 A 11 VAL H A 73 SER HBx 1.0 0.0 4.78 1664 947 A 11 VAL H A 11 VAL HB 1.0 0.0 3.59 1665 948 A 10 LEU HG A 11 VAL H 1.0 0.0 4.47 1666 948 A 10 LEU HBy A 11 VAL H 1.0 0.0 4.47 1667 949 A 11 VAL H A 74 LEU HBx 1.0 0.0 5.45 1668 949 A 11 VAL H A 74 LEU HG 1.0 0.0 5.45 1669 949 A 11 VAL H A 74 LEU HBy 1.0 0.0 5.45 1670 950 A 11 VAL H A 10 LEU HBx 1.0 0.0 4.11 1671 951 A 11 VAL H A 75 VAL HGx% 1.0 0.0 3.58 1672 951 A 11 VAL H A 11 VAL HG1% 1.0 0.0 3.58 1673 951 A 11 VAL H A 75 VAL HGy% 1.0 0.0 3.58 1674 951 A 11 VAL H A 11 VAL HG2% 1.0 0.0 3.58 1675 952 A 50 ALA H A 49 GLU HGx 1.0 0.0 5.70 1676 952 A 49 GLU HGy A 50 ALA H 1.0 0.0 5.70 1677 953 A 51 GLU H A 50 ALA H 1.0 0.0 4.59 1678 953 A 6 GLN H A 50 ALA H 1.0 0.0 4.59 1679 954 A 52 ASP H A 50 ALA H 1.0 0.0 5.18 1680 954 A 5 TRP HE3 A 50 ALA H 1.0 0.0 5.18 1681 955 A 49 GLU HA A 50 ALA H 1.0 0.0 3.48 1682 956 A 7 VAL HA A 50 ALA H 1.0 0.0 5.05 1683 957 A 5 TRP HBy A 50 ALA H 1.0 0.0 5.62 1684 958 A 50 ALA H A 49 GLU HBx 1.0 0.0 4.12 1685 958 A 49 GLU HBy A 50 ALA H 1.0 0.0 4.12 1686 959 A 56 LEU HD2% A 50 ALA H 1.0 0.0 4.89 1687 959 A 7 VAL HGy% A 50 ALA H 1.0 0.0 4.89 1688 959 A 48 VAL HG2% A 50 ALA H 1.0 0.0 4.89 1689 959 A 48 VAL HG1% A 50 ALA H 1.0 0.0 4.89 1690 960 A 77 HIS HA A 78 GLN H 1.0 0.0 3.27 1691 961 A 54 GLU H A 54 GLU HBx 1.0 0.0 3.66 1692 962 A 23 SER H A 21 ASP H 1.0 0.0 3.49 1693 962 A 22 ILE H A 21 ASP H 1.0 0.0 3.49 1694 963 A 18 ARG HA A 21 ASP H 1.0 0.0 3.72 1695 964 A 21 ASP H A 20 SER HBx 1.0 0.0 3.59 1696 964 A 20 SER HBy A 21 ASP H 1.0 0.0 3.59 1697 965 A 22 ILE HA A 21 ASP H 1.0 0.0 4.82 1698 965 A 19 ILE HA A 21 ASP H 1.0 0.0 4.82 1699 966 A 21 ASP H A 21 ASP HBx 1.0 0.0 3.21 1700 966 A 21 ASP HBy A 21 ASP H 1.0 0.0 3.21 1701 967 A 18 ARG HBy A 21 ASP H 1.0 0.0 5.61 1702 968 A 18 ARG HGy A 21 ASP H 1.0 0.0 5.05 1703 968 A 18 ARG HBx A 21 ASP H 1.0 0.0 5.05 1704 968 A 22 ILE HG1y A 21 ASP H 1.0 0.0 5.05 1705 969 A 22 ILE HB A 21 ASP H 1.0 0.0 5.47 1706 970 A 19 ILE HD1% A 21 ASP H 1.0 0.0 5.70 1707 970 A 22 ILE HG2% A 21 ASP H 1.0 0.0 5.70 1708 970 A 22 ILE HD1% A 21 ASP H 1.0 0.0 5.70 1709 971 A 60 ILE H A 59 THR HB 1.0 0.0 3.85 1710 972 A 60 ILE H A 57 ILE HA 1.0 0.0 4.33 1711 973 A 60 ILE H A 63 VAL HB 1.0 0.0 5.68 1712 974 A 60 ILE H A 60 ILE HB 1.0 0.0 3.14 1713 975 A 60 ILE H A 59 THR HG2% 1.0 0.0 4.98 1714 976 A 60 ILE HG2% A 60 ILE H 1.0 0.0 3.50 1715 976 A 60 ILE H A 60 ILE HG1x 1.0 0.0 3.50 1716 976 A 60 ILE H A 60 ILE HD1% 1.0 0.0 3.50 1717 977 A 10 LEU H A 75 VAL H 1.0 0.0 5.21 1718 977 A 10 LEU H A 9 SER H 1.0 0.0 5.21 1719 978 A 10 LEU H A 10 LEU HBx 1.0 0.0 4.36 1720 979 A 45 ILE HD1% A 10 LEU H 1.0 0.0 3.99 1721 979 A 45 ILE HG2% A 10 LEU H 1.0 0.0 3.99 1722 980 A 9 SER HA A 10 LEU H 1.0 0.0 3.20 1723 981 A 10 LEU H A 47 VAL HA 1.0 0.0 4.28 1724 982 A 10 LEU H A 75 VAL HB 1.0 0.0 4.42 1725 982 A 46 VAL HB A 10 LEU H 1.0 0.0 4.42 1726 983 A 10 LEU HG A 10 LEU H 1.0 0.0 3.52 1727 983 A 10 LEU HBy A 10 LEU H 1.0 0.0 3.52 1728 984 A 57 ILE H A 54 GLU H 1.0 0.0 5.70 1729 985 A 54 GLU H A 56 LEU H 1.0 0.0 4.92 1730 986 A 54 GLU H A 52 ASP HBy 1.0 0.0 4.33 1731 987 A 57 ILE HD1% A 54 GLU H 1.0 0.0 5.70 1732 988 A 54 GLU H A 52 ASP HBx 1.0 0.0 5.00 1733 989 A 54 GLU H A 54 GLU HGy 1.0 0.0 3.97 1734 989 A 54 GLU H A 54 GLU HGx 1.0 0.0 3.97 1735 990 A 54 GLU H A 54 GLU HBy 1.0 0.0 3.26 1736 991 A 54 GLU H A 55 THR HG2% 1.0 0.0 5.70 1737 992 A 19 ILE HG2% A 21 ASP H 1.0 0.0 5.70 1738 993 A 44 LEU H A 12 VAL H 1.0 0.0 3.91 1739 994 A 43 GLN H A 44 LEU H 1.0 0.0 4.96 1740 995 A 43 GLN HA A 44 LEU H 1.0 0.0 2.98 1741 996 A 11 VAL HA A 44 LEU H 1.0 0.0 5.33 1742 997 A 44 LEU H A 43 GLN HGy 1.0 0.0 4.86 1743 998 A 44 LEU H A 12 VAL HB 1.0 0.0 3.80 1744 998 A 44 LEU H A 43 GLN HGx 1.0 0.0 3.80 1745 999 A 44 LEU H A 43 GLN HBy 1.0 0.0 3.96 1746 1000 A 44 LEU H A 44 LEU HBx 1.0 0.0 3.47 1747 1000 A 44 LEU H A 44 LEU HG 1.0 0.0 3.47 1748 1000 A 44 LEU H A 44 LEU HBy 1.0 0.0 3.47 1749 1001 A 11 VAL HG1% A 44 LEU H 1.0 0.0 4.00 1750 1001 A 44 LEU HD2% A 44 LEU H 1.0 0.0 4.00 1751 1001 A 45 ILE HD1% A 44 LEU H 1.0 0.0 4.00 1752 1001 A 44 LEU H A 12 VAL HG1% 1.0 0.0 4.00 1753 1002 A 81 GLU HA A 82 GLN H 1.0 0.0 3.45 1754 1003 A 82 GLN H A 82 GLN HBx 1.0 0.0 4.01 1755 1004 A 82 GLN H A 82 GLN HGx 1.0 0.0 4.78 1756 1004 A 82 GLN HGy A 82 GLN H 1.0 0.0 4.78 1757 1005 A 5 TRP H A 6 GLN H 1.0 0.0 4.94 1758 1006 A 45 ILE H A 36 VAL H 1.0 0.0 3.93 1759 1007 A 45 ILE H A 45 ILE HB 1.0 0.0 3.50 1760 1008 A 45 ILE H A 44 LEU HBx 1.0 0.0 3.78 1761 1008 A 45 ILE H A 44 LEU HBy 1.0 0.0 3.78 1762 1009 A 45 ILE HG1x A 45 ILE H 1.0 0.0 4.40 1763 1010 A 11 VAL HB A 73 SER H 1.0 0.0 3.67 1764 1010 A 45 ILE H A 36 VAL HB 1.0 0.0 3.67 1765 1011 A 15 LYS HA A 16 SER H 1.0 0.0 3.74 1766 1012 A 16 SER H A 16 SER HBx 1.0 0.0 4.20 1767 1012 A 16 SER HBy A 16 SER H 1.0 0.0 4.20 1768 1013 A 11 VAL H A 73 SER H 1.0 0.0 3.87 1769 1013 A 35 ALA H A 45 ILE H 1.0 0.0 3.87 1770 1013 A 45 ILE H A 44 LEU H 1.0 0.0 3.87 1771 1014 A 15 LYS H A 16 SER H 1.0 0.0 5.02 1772 1015 A 73 SER H A 72 VAL HA 1.0 0.0 2.93 1773 1016 A 74 LEU HA A 73 SER H 1.0 0.0 4.15 1774 1016 A 45 ILE H A 37 SER HA 1.0 0.0 4.15 1775 1017 A 73 SER H A 73 SER HBx 1.0 0.0 3.89 1776 1018 A 45 ILE HG2% A 45 ILE H 1.0 0.0 3.41 1777 1018 A 45 ILE H A 46 VAL HG2% 1.0 0.0 3.41 1778 1018 A 73 SER H A 72 VAL HGx% 1.0 0.0 3.41 1779 1018 A 45 ILE HD1% A 45 ILE H 1.0 0.0 3.41 1780 1018 A 72 VAL HGy% A 73 SER H 1.0 0.0 3.41 1781 1018 A 45 ILE H A 44 LEU HD2% 1.0 0.0 3.41 1782 1019 A 48 VAL HA A 33 GLU H 1.0 0.0 5.06 1783 1020 A 32 CYS HA A 33 GLU H 1.0 0.0 3.27 1784 1021 A 32 CYS HBx A 33 GLU H 1.0 0.0 4.25 1785 1022 A 33 GLU H A 33 GLU HBx 1.0 0.0 3.67 1786 1022 A 33 GLU HBy A 33 GLU H 1.0 0.0 3.67 1787 1023 A 46 VAL HG1% A 33 GLU H 1.0 0.0 4.14 1788 1024 A 26 LEU HA A 25 GLN H 1.0 0.0 5.52 1789 1024 A 22 ILE HA A 25 GLN H 1.0 0.0 5.52 1790 1025 A 22 ILE H A 21 ASP H 1.0 0.0 3.57 1791 1026 A 22 ILE H A 25 GLN H 1.0 0.0 5.70 1792 1026 A 22 ILE H A 24 THR H 1.0 0.0 5.70 1793 1027 A 22 ILE H A 20 SER HBx 1.0 0.0 4.72 1794 1027 A 22 ILE H A 23 SER HBx 1.0 0.0 4.72 1795 1027 A 22 ILE H A 20 SER HBy 1.0 0.0 4.72 1796 1028 A 22 ILE H A 21 ASP HBx 1.0 0.0 3.43 1797 1028 A 22 ILE H A 21 ASP HBy 1.0 0.0 3.43 1798 1029 A 22 ILE H A 18 ARG HBy 1.0 0.0 4.74 1799 1030 A 22 ILE H A 22 ILE HG1y 1.0 0.0 3.46 1800 1031 A 22 ILE H A 22 ILE HB 1.0 0.0 3.19 1801 1032 A 22 ILE H A 22 ILE HG1x 1.0 0.0 3.80 1802 1033 A 22 ILE HG2% A 22 ILE H 1.0 0.0 3.80 1803 1033 A 22 ILE H A 22 ILE HD1% 1.0 0.0 3.80 1804 1034 A 6 GLN H A 6 GLN HBx 1.0 0.0 4.40 1805 1035 A 6 GLN H A 50 ALA HB% 1.0 0.0 5.70 1806 1036 A 6 GLN H A 5 TRP HE3 1.0 0.0 5.48 1807 1037 A 5 TRP HBy A 6 GLN H 1.0 0.0 4.40 1808 1038 A 15 LYS H A 19 ILE H 1.0 0.0 5.25 1809 1038 A 23 SER H A 19 ILE H 1.0 0.0 5.25 1810 1038 A 22 ILE H A 19 ILE H 1.0 0.0 5.25 1811 1039 A 67 GLU HA A 69 VAL H 1.0 0.0 3.98 1812 1040 A 69 VAL HB A 69 VAL H 1.0 0.0 2.94 1813 1041 A 69 VAL H A 69 VAL HGx% 1.0 0.0 3.26 1814 1041 A 69 VAL HGy% A 69 VAL H 1.0 0.0 3.26 1815 1042 A 22 ILE HG2% A 69 VAL H 1.0 0.0 4.59 1816 1042 A 22 ILE HD1% A 69 VAL H 1.0 0.0 4.59 1817 1043 A 25 GLN H A 26 LEU H 1.0 0.0 3.38 1818 1044 A 24 THR HB A 25 GLN H 1.0 0.0 3.58 1819 1045 A 22 ILE HA A 25 GLN H 1.0 0.0 4.00 1820 1046 A 25 GLN HGy A 25 GLN H 1.0 0.0 3.71 1821 1047 A 25 GLN HBy A 25 GLN H 1.0 0.0 3.27 1822 1048 A 24 THR HG2% A 25 GLN H 1.0 0.0 4.51 1823 1049 A 25 GLN H A 34 VAL HG2% 1.0 0.0 5.70 1824 1049 A 66 VAL HG1% A 25 GLN H 1.0 0.0 5.70 1825 1050 A 25 GLN H A 22 ILE HD1% 1.0 0.0 5.11 1826 1050 A 25 GLN H A 26 LEU HD1% 1.0 0.0 5.11 1827 1050 A 22 ILE HG2% A 25 GLN H 1.0 0.0 5.11 1828 1051 A 25 GLN H A 22 ILE HB 1.0 0.0 5.34 1829 1051 A 25 GLN H A 26 LEU HBy 1.0 0.0 5.34 1830 1052 A 18 ARG H A 19 ILE H 1.0 0.0 3.10 1831 1053 A 39 ALA HA A 19 ILE H 1.0 0.0 4.49 1832 1053 A 17 GLU HA A 19 ILE H 1.0 0.0 4.49 1833 1054 A 19 ILE HB A 19 ILE H 1.0 0.0 3.04 1834 1055 A 19 ILE H A 18 ARG HGy 1.0 0.0 4.36 1835 1055 A 19 ILE H A 18 ARG HBx 1.0 0.0 4.36 1836 1056 A 19 ILE HG1y A 19 ILE H 1.0 0.0 3.38 1837 1056 A 19 ILE H A 19 ILE HG1x 1.0 0.0 3.38 1838 1057 A 19 ILE HG2% A 19 ILE H 1.0 0.0 4.01 1839 1058 A 22 ILE HD1% A 19 ILE H 1.0 0.0 4.28 1840 1058 A 19 ILE HD1% A 19 ILE H 1.0 0.0 4.28 1841 1059 A 83 GLY HAx A 84 GLU H 1.0 0.0 3.72 1842 1059 A 83 GLY HAy A 84 GLU H 1.0 0.0 3.72 1843 1060 A 69 VAL H A 70 LEU H 1.0 0.0 4.85 1844 1061 A 68 GLY H A 69 VAL H 1.0 0.0 3.45 1845 1062 A 69 VAL H A 14 ALA HA 1.0 0.0 5.57 1846 1063 A 45 ILE H A 37 SER H 1.0 0.0 5.49 1847 1064 A 36 VAL H A 37 SER H 1.0 0.0 5.00 1848 1065 A 44 LEU HA A 37 SER H 1.0 0.0 5.54 1849 1066 A 36 VAL HA A 37 SER H 1.0 0.0 3.04 1850 1067 A 37 SER HBy A 37 SER H 1.0 0.0 3.89 1851 1068 A 36 VAL HB A 37 SER H 1.0 0.0 4.97 1852 1069 A 36 VAL HGy% A 37 SER H 1.0 0.0 3.79 1853 1069 A 36 VAL HGx% A 37 SER H 1.0 0.0 3.79 1854 1069 A 34 VAL HG1% A 37 SER H 1.0 0.0 3.79 1855 1070 A 7 VAL H A 8 CYS H 1.0 0.0 5.01 1856 1071 A 6 GLN H A 7 VAL H 1.0 0.0 4.89 1857 1072 A 6 GLN HA A 7 VAL H 1.0 0.0 3.19 1858 1073 A 6 GLN HGx A 7 VAL H 1.0 0.0 4.30 1859 1073 A 6 GLN HBy A 7 VAL H 1.0 0.0 4.30 1860 1074 A 7 VAL HB A 7 VAL H 1.0 0.0 3.95 1861 1075 A 7 VAL HGx% A 7 VAL H 1.0 0.0 4.17 1862 1076 A 15 LYS H A 70 LEU H 1.0 0.0 4.98 1863 1077 A 15 LYS H A 14 ALA H 1.0 0.0 5.49 1864 1078 A 15 LYS H A 69 VAL HA 1.0 0.0 4.84 1865 1079 A 15 LYS H A 68 GLY HAx 1.0 0.0 5.70 1866 1080 A 15 LYS HBy A 15 LYS H 1.0 0.0 3.96 1867 1081 A 15 LYS H A 15 LYS HBx 1.0 0.0 3.25 1868 1081 A 15 LYS H A 15 LYS HGx 1.0 0.0 3.25 1869 1082 A 15 LYS H A 70 LEU HD1% 1.0 0.0 4.37 1870 1082 A 70 LEU HD2% A 15 LYS H 1.0 0.0 4.37 1871 1083 A 19 ILE HD1% A 15 LYS H 1.0 0.0 4.90 1872 1083 A 22 ILE HD1% A 15 LYS H 1.0 0.0 4.90 1873 1084 A 58 GLN H A 57 ILE HG1y 1.0 0.0 5.26 1874 1085 A 51 GLU H A 51 GLU HGx 1.0 0.0 5.54 1875 1086 A 57 ILE H A 58 GLN H 1.0 0.0 3.69 1876 1087 A 58 GLN H A 58 GLN HGy 1.0 0.0 4.03 1877 1088 A 58 GLN H A 58 GLN HBx 1.0 0.0 3.24 1878 1088 A 58 GLN HBy A 58 GLN H 1.0 0.0 3.24 1879 1089 A 58 GLN H A 57 ILE HB 1.0 0.0 3.74 1880 1090 A 28 ALA H A 26 LEU H 1.0 0.0 4.90 1881 1091 A 28 ALA H A 29 PHE H 1.0 0.0 3.12 1882 1092 A 28 ALA H A 29 PHE HA 1.0 0.0 5.70 1883 1093 A 25 GLN HA A 28 ALA H 1.0 0.0 4.25 1884 1094 A 28 ALA H A 26 LEU HA 1.0 0.0 4.80 1885 1095 A 28 ALA H A 27 ASN HBx 1.0 0.0 3.95 1886 1095 A 28 ALA H A 27 ASN HBy 1.0 0.0 3.95 1887 1096 A 50 ALA HA A 51 GLU H 1.0 0.0 3.66 1888 1097 A 51 GLU H A 55 THR HG2% 1.0 0.0 4.50 1889 1097 A 51 GLU H A 50 ALA HB% 1.0 0.0 4.50 1890 1098 A 59 THR H A 57 ILE H 1.0 0.0 4.76 1891 1098 A 59 THR H A 61 GLU H 1.0 0.0 4.76 1892 1098 A 59 THR H A 62 SER H 1.0 0.0 4.76 1893 1099 A 59 THR H A 58 GLN H 1.0 0.0 3.59 1894 1100 A 59 THR H A 59 THR HB 1.0 0.0 3.38 1895 1101 A 59 THR H A 58 GLN HBx 1.0 0.0 3.59 1896 1101 A 59 THR H A 58 GLN HBy 1.0 0.0 3.59 1897 1102 A 59 THR H A 57 ILE HG1x 1.0 0.0 5.59 1898 1102 A 59 THR H A 55 THR HG2% 1.0 0.0 5.59 1899 1103 A 60 ILE HG2% A 59 THR H 1.0 0.0 5.04 1900 1103 A 59 THR H A 60 ILE HG1x 1.0 0.0 5.04 1901 1103 A 59 THR H A 60 ILE HD1% 1.0 0.0 5.04 1902 1103 A 59 THR H A 48 VAL HG1% 1.0 0.0 5.04 1903 1104 A 59 THR H A 59 THR HG2% 1.0 0.0 4.63 1904 1105 A 14 ALA H A 71 ALA H 1.0 0.0 5.70 1905 1106 A 70 LEU H A 71 ALA H 1.0 0.0 3.21 1906 1107 A 71 ALA H A 13 GLN H 1.0 0.0 3.80 1907 1108 A 71 ALA H A 72 VAL H 1.0 0.0 4.89 1908 1109 A 71 ALA H A 72 VAL HA 1.0 0.0 4.77 1909 1109 A 14 ALA HA A 71 ALA H 1.0 0.0 4.77 1910 1110 A 69 VAL HA A 71 ALA H 1.0 0.0 4.50 1911 1111 A 71 ALA H A 13 GLN HGx 1.0 0.0 4.76 1912 1111 A 69 VAL HB A 71 ALA H 1.0 0.0 4.76 1913 1111 A 71 ALA H A 13 GLN HGy 1.0 0.0 4.76 1914 1112 A 71 ALA H A 13 GLN HBy 1.0 0.0 4.16 1915 1113 A 71 ALA H A 13 GLN HBx 1.0 0.0 4.07 1916 1114 A 71 ALA H A 71 ALA HB% 1.0 0.0 3.44 1917 1114 A 70 LEU HBx A 71 ALA H 1.0 0.0 3.44 1918 1115 A 71 ALA H A 69 VAL HGx% 1.0 0.0 3.53 1919 1115 A 69 VAL HGy% A 71 ALA H 1.0 0.0 3.53 1920 1116 A 17 GLU H A 16 SER HBx 1.0 0.0 4.91 1921 1116 A 16 SER HBy A 17 GLU H 1.0 0.0 4.91 1922 1117 A 17 GLU H A 17 GLU HBx 1.0 0.0 4.27 1923 1117 A 17 GLU HBy A 17 GLU H 1.0 0.0 4.27 1924 1118 A 15 LYS HBx A 17 GLU H 1.0 0.0 5.70 1925 1119 A 60 ILE H A 61 GLU H 1.0 0.0 3.71 1926 1120 A 61 GLU H A 58 GLN H 1.0 0.0 5.32 1927 1121 A 61 GLU H A 57 ILE HA 1.0 0.0 5.08 1928 1122 A 61 GLU HBy A 61 GLU H 1.0 0.0 3.16 1929 1122 A 61 GLU HBx A 61 GLU H 1.0 0.0 3.16 1930 1123 A 61 GLU H A 60 ILE HB 1.0 0.0 3.51 1931 1124 A 61 GLU H A 60 ILE HG1x 1.0 0.0 4.04 1932 1124 A 61 GLU H A 60 ILE HD1% 1.0 0.0 4.04 1933 1124 A 60 ILE HG2% A 61 GLU H 1.0 0.0 4.04 1934 1125 A 61 GLU H A 59 THR HB 1.0 0.0 5.70 1935 1126 A 72 VAL H A 64 ARG HDx 1.0 0.0 5.70 1936 1126 A 64 ARG HDy A 72 VAL H 1.0 0.0 5.70 1937 1127 A 70 LEU H A 72 VAL H 1.0 0.0 5.64 1938 1128 A 13 GLN H A 72 VAL H 1.0 0.0 4.11 1939 1128 A 73 SER H A 72 VAL H 1.0 0.0 4.11 1940 1129 A 71 ALA HA A 72 VAL H 1.0 0.0 3.03 1941 1130 A 72 VAL HB A 72 VAL H 1.0 0.0 3.62 1942 1131 A 71 ALA HB% A 72 VAL H 1.0 0.0 3.83 1943 1132 A 72 VAL H A 72 VAL HGx% 1.0 0.0 3.87 1944 1132 A 72 VAL HGy% A 72 VAL H 1.0 0.0 3.87 1945 1133 A 26 LEU H A 27 ASN HBx 1.0 0.0 5.39 1946 1133 A 27 ASN HBy A 26 LEU H 1.0 0.0 5.39 1947 1134 A 72 VAL HB A 72 VAL H 1.0 0.0 3.41 1948 1134 A 26 LEU HG A 26 LEU H 1.0 0.0 3.41 1949 1135 A 57 ILE H A 53 SER HA 1.0 0.0 3.99 1950 1135 A 57 ILE H A 54 GLU HA 1.0 0.0 3.99 1951 1136 A 57 ILE H A 57 ILE HB 1.0 0.0 3.24 1952 1137 A 57 ILE H A 57 ILE HG1y 1.0 0.0 3.78 1953 1138 A 57 ILE H A 57 ILE HG1x 1.0 0.0 3.87 1954 1139 A 57 ILE H A 57 ILE HD1% 1.0 0.0 4.24 1955 1139 A 56 LEU HD2% A 57 ILE H 1.0 0.0 4.24 1956 1140 A 26 LEU H A 27 ASN H 1.0 0.0 3.12 1957 1140 A 25 GLN H A 26 LEU H 1.0 0.0 3.12 1958 1141 A 27 ASN HD22 A 26 LEU H 1.0 0.0 5.58 1959 1141 A 28 ALA H A 26 LEU H 1.0 0.0 5.58 1960 1142 A 26 LEU HBy A 26 LEU H 1.0 0.0 3.34 1961 1143 A 26 LEU HBx A 26 LEU H 1.0 0.0 3.62 1962 1144 A 22 ILE HG2% A 26 LEU H 1.0 0.0 3.90 1963 1144 A 26 LEU HD1% A 26 LEU H 1.0 0.0 3.90 1964 1145 A 85 GLU HA A 86 THR H 1.0 0.0 3.75 1965 1146 A 86 THR H A 85 GLU HBx 1.0 0.0 5.36 1966 1146 A 86 THR H A 87 PRO HGy 1.0 0.0 5.36 1967 1146 A 86 THR H A 85 GLU HBy 1.0 0.0 5.36 1968 1147 A 86 THR H A 87 PRO HBy 1.0 0.0 5.70 1969 1148 A 86 THR HG2% A 86 THR H 1.0 0.0 5.70 1970 1149 A 18 ARG H A 17 GLU H 1.0 0.0 4.60 1971 1150 A 22 ILE H A 18 ARG H 1.0 0.0 5.70 1972 1150 A 15 LYS H A 18 ARG H 1.0 0.0 5.70 1973 1151 A 18 ARG HBy A 18 ARG H 1.0 0.0 3.83 1974 1152 A 18 ARG H A 18 ARG HBx 1.0 0.0 3.42 1975 1152 A 18 ARG H A 18 ARG HGy 1.0 0.0 3.42 1976 1153 A 18 ARG H A 15 LYS HBx 1.0 0.0 3.69 1977 1153 A 18 ARG H A 18 ARG HGx 1.0 0.0 3.69 1978 1154 A 19 ILE HG2% A 18 ARG H 1.0 0.0 5.70 1979 1155 A 19 ILE HA A 18 ARG H 1.0 0.0 5.29 1980 1156 A 22 ILE HD1% A 18 ARG H 1.0 0.0 5.00 1981 1156 A 19 ILE HD1% A 18 ARG H 1.0 0.0 5.00 1982 1157 A 55 THR H A 52 ASP H 1.0 0.0 5.32 1983 1158 A 53 SER HA A 55 THR H 1.0 0.0 3.52 1984 1158 A 55 THR HB A 55 THR H 1.0 0.0 3.52 1985 1158 A 54 GLU HA A 55 THR H 1.0 0.0 3.52 1986 1159 A 54 GLU HGy A 55 THR H 1.0 0.0 5.63 1987 1159 A 54 GLU HGx A 55 THR H 1.0 0.0 5.63 1988 1160 A 56 LEU HBy A 55 THR H 1.0 0.0 3.95 1989 1160 A 55 THR H A 54 GLU HBy 1.0 0.0 3.95 1990 1161 A 55 THR H A 50 ALA HB% 1.0 0.0 4.49 1991 1161 A 55 THR H A 55 THR HG2% 1.0 0.0 4.49 1992 1162 A 8 CYS HA A 9 SER H 1.0 0.0 3.46 1993 1163 A 9 SER H A 9 SER HBy 1.0 0.0 3.87 1994 1164 A 9 SER H A 8 CYS HBx 1.0 0.0 3.59 1995 1164 A 9 SER H A 8 CYS HBy 1.0 0.0 3.59 1996 1165 A 10 LEU H A 9 SER H 1.0 0.0 5.15 1997 1166 A 9 SER H A 8 CYS H 1.0 0.0 5.50 1998 1167 A 9 SER H A 75 VAL HB 1.0 0.0 4.54 1999 1168 A 9 SER H A 75 VAL HGx% 1.0 0.0 4.40 2000 1168 A 75 VAL HGy% A 9 SER H 1.0 0.0 4.40 2001 1169 A 39 ALA H A 43 GLN H 1.0 0.0 4.51 2002 1169 A 43 GLN H A 44 LEU H 1.0 0.0 4.51 2003 1170 A 43 GLN H A 38 ASP H 1.0 0.0 4.96 2004 1171 A 43 GLN H A 42 GLY H 1.0 0.0 3.60 2005 1172 A 43 GLN H A 41 SER HBx 1.0 0.0 4.99 2006 1172 A 43 GLN H A 41 SER HBy 1.0 0.0 4.99 2007 1173 A 43 GLN H A 38 ASP HBy 1.0 0.0 4.19 2008 1174 A 43 GLN H A 38 ASP HBx 1.0 0.0 5.17 2009 1175 A 43 GLN H A 43 GLN HGy 1.0 0.0 4.92 2010 1176 A 43 GLN H A 43 GLN HBx 1.0 0.0 3.44 2011 1177 A 43 GLN H A 44 LEU HD2% 1.0 0.0 4.88 2012 1177 A 19 ILE HG2% A 43 GLN H 1.0 0.0 4.88 2013 1178 A 19 ILE HD1% A 43 GLN H 1.0 0.0 4.30 2014 1179 A 43 GLN H A 43 GLN HE22 1.0 0.0 5.70 2015 1180 A 36 VAL H A 44 LEU HA 1.0 0.0 5.70 2016 1181 A 36 VAL H A 36 VAL HB 1.0 0.0 3.84 2017 1182 A 36 VAL H A 45 ILE HB 1.0 0.0 4.03 2018 1183 A 35 ALA HB% A 36 VAL H 1.0 0.0 3.89 2019 1184 A 36 VAL H A 36 VAL HGy% 1.0 0.0 3.74 2020 1184 A 36 VAL H A 34 VAL HG1% 1.0 0.0 3.74 2021 1185 A 48 VAL HA A 32 CYS H 1.0 0.0 5.41 2022 1186 A 21 ASP HA A 24 THR H 1.0 0.0 4.27 2023 1187 A 24 THR HB A 24 THR H 1.0 0.0 3.19 2024 1188 A 22 ILE HA A 24 THR H 1.0 0.0 5.46 2025 1189 A 25 GLN HBy A 24 THR H 1.0 0.0 5.33 2026 1190 A 24 THR HG2% A 24 THR H 1.0 0.0 4.31 2027 1191 A 24 THR H A 22 ILE HD1% 1.0 0.0 5.69 2028 1191 A 24 THR H A 26 LEU HD1% 1.0 0.0 5.69 2029 1191 A 22 ILE HG2% A 24 THR H 1.0 0.0 5.69 2030 1192 A 31 GLY H A 32 CYS H 1.0 0.0 3.75 2031 1193 A 32 CYS HBy A 32 CYS H 1.0 0.0 3.52 2032 1194 A 33 GLU H A 32 CYS H 1.0 0.0 5.32 2033 1195 A 30 PRO HDx A 32 CYS H 1.0 0.0 5.45 2034 1195 A 29 PHE HBy A 32 CYS H 1.0 0.0 5.45 2035 1196 A 32 CYS HBx A 32 CYS H 1.0 0.0 3.89 2036 1197 A 48 VAL HG2% A 32 CYS H 1.0 0.0 5.14 2037 1197 A 48 VAL HG1% A 32 CYS H 1.0 0.0 5.14 2038 1197 A 46 VAL HG1% A 32 CYS H 1.0 0.0 5.14 2039 1198 A 29 PHE HD% A 32 CYS H 1.0 0.0 5.38 2040 1199 A 60 ILE HG1x A 62 SER H 1.0 0.0 5.15 2041 1199 A 60 ILE HD1% A 62 SER H 1.0 0.0 5.15 2042 1199 A 62 SER H A 63 VAL HG1% 1.0 0.0 5.15 2043 1199 A 60 ILE HG2% A 62 SER H 1.0 0.0 5.15 2044 1200 A 60 ILE H A 62 SER H 1.0 0.0 4.98 2045 1201 A 62 SER H A 62 SER HBy 1.0 0.0 3.44 2046 1202 A 63 VAL HA A 62 SER H 1.0 0.0 3.77 2047 1202 A 62 SER H A 62 SER HBx 1.0 0.0 3.77 2048 1203 A 61 GLU HBy A 62 SER H 1.0 0.0 3.61 2049 1203 A 61 GLU HBx A 62 SER H 1.0 0.0 3.61 2050 1204 A 62 SER H A 63 VAL HG2% 1.0 0.0 5.31 2051 1205 A 52 ASP HBy A 53 SER H 1.0 0.0 4.41 2052 1206 A 53 SER H A 53 SER HBx 1.0 0.0 4.14 2053 1206 A 53 SER HBy A 53 SER H 1.0 0.0 4.14 2054 1207 A 52 ASP HBx A 53 SER H 1.0 0.0 4.86 2055 1208 A 6 GLN HGx A 53 SER H 1.0 0.0 5.32 2056 1208 A 56 LEU HBy A 53 SER H 1.0 0.0 5.32 2057 1208 A 54 GLU HBy A 53 SER H 1.0 0.0 5.32 2058 1209 A 66 VAL H A 64 ARG H 1.0 0.0 5.70 2059 1210 A 61 GLU HA A 64 ARG H 1.0 0.0 4.38 2060 1211 A 63 VAL HB A 64 ARG H 1.0 0.0 3.71 2061 1212 A 64 ARG HBy A 64 ARG H 1.0 0.0 3.35 2062 1212 A 64 ARG HBx A 64 ARG H 1.0 0.0 3.35 2063 1213 A 64 ARG H A 64 ARG HGx 1.0 0.0 4.77 2064 1214 A 64 ARG H A 72 VAL HGx% 1.0 0.0 4.04 2065 1214 A 72 VAL HGy% A 64 ARG H 1.0 0.0 4.04 2066 1214 A 60 ILE HG2% A 64 ARG H 1.0 0.0 4.04 2067 1214 A 64 ARG H A 63 VAL HG1% 1.0 0.0 4.04 2068 1215 A 23 SER H A 21 ASP H 1.0 0.0 5.33 2069 1216 A 23 SER H A 24 THR H 1.0 0.0 3.55 2070 1217 A 21 ASP HA A 23 SER H 1.0 0.0 5.67 2071 1218 A 23 SER H A 20 SER HA 1.0 0.0 4.24 2072 1219 A 23 SER H A 23 SER HBx 1.0 0.0 4.16 2073 1220 A 23 SER H A 21 ASP HBx 1.0 0.0 5.01 2074 1220 A 23 SER H A 21 ASP HBy 1.0 0.0 5.01 2075 1221 A 23 SER H A 22 ILE HG1y 1.0 0.0 4.68 2076 1222 A 23 SER H A 22 ILE HB 1.0 0.0 3.46 2077 1223 A 23 SER H A 44 LEU HD2% 1.0 0.0 4.48 2078 1223 A 23 SER H A 19 ILE HG2% 1.0 0.0 4.48 2079 1224 A 23 SER H A 26 LEU HD1% 1.0 0.0 3.96 2080 1224 A 23 SER H A 22 ILE HD1% 1.0 0.0 3.96 2081 1224 A 22 ILE HG2% A 23 SER H 1.0 0.0 3.96 2082 1225 A 68 GLY H A 66 VAL HA 1.0 0.0 5.23 2083 1226 A 68 GLY H A 67 GLU HGy 1.0 0.0 4.96 2084 1227 A 68 GLY H A 69 VAL HGx% 1.0 0.0 4.88 2085 1227 A 69 VAL HGy% A 68 GLY H 1.0 0.0 4.88 2086 1228 A 68 GLY H A 22 ILE HG2% 1.0 0.0 5.70 2087 1228 A 68 GLY H A 22 ILE HD1% 1.0 0.0 5.70 2088 1229 A 62 SER HA A 65 ASN HD22 1.0 0.0 4.80 2089 1230 A 26 LEU H A 27 ASN H 1.0 0.0 3.48 2090 1231 A 27 ASN HD22 A 27 ASN H 1.0 0.0 3.58 2091 1231 A 28 ALA H A 27 ASN H 1.0 0.0 3.58 2092 1232 A 27 ASN H A 24 THR HA 1.0 0.0 4.00 2093 1233 A 27 ASN H A 27 ASN HBx 1.0 0.0 3.01 2094 1233 A 27 ASN HBy A 27 ASN H 1.0 0.0 3.01 2095 1234 A 26 LEU HBy A 27 ASN H 1.0 0.0 3.89 2096 1235 A 26 LEU HBx A 27 ASN H 1.0 0.0 3.83 2097 1236 A 65 ASN H A 65 ASN HD22 1.0 0.0 4.49 2098 1237 A 61 GLU HA A 65 ASN HD22 1.0 0.0 5.70 2099 1238 A 65 ASN HBy A 65 ASN HD22 1.0 0.0 4.22 2100 1239 A 65 ASN HBx A 65 ASN HD22 1.0 0.0 3.82 2101 1240 A 62 SER HA A 65 ASN HD21 1.0 0.0 4.99 2102 1241 A 61 GLU HA A 65 ASN HD21 1.0 0.0 5.67 2103 1242 A 65 ASN HBx A 65 ASN HD21 1.0 0.0 3.94 2104 1243 A 61 GLU HBx A 65 ASN HD21 1.0 0.0 5.52 2105 1243 A 61 GLU HBy A 65 ASN HD21 1.0 0.0 5.52 2106 1244 A 64 ARG HBy A 65 ASN HD21 1.0 0.0 5.70 2107 1244 A 64 ARG HBx A 65 ASN HD21 1.0 0.0 5.70 2108 1245 A 65 ASN H A 64 ARG H 1.0 0.0 3.39 2109 1246 A 65 ASN H A 62 SER HA 1.0 0.0 4.24 2110 1247 A 61 GLU HA A 65 ASN H 1.0 0.0 4.85 2111 1248 A 65 ASN H A 62 SER HBx 1.0 0.0 4.52 2112 1248 A 65 ASN H A 63 VAL HA 1.0 0.0 4.52 2113 1249 A 65 ASN H A 65 ASN HBy 1.0 0.0 3.55 2114 1250 A 65 ASN H A 65 ASN HBx 1.0 0.0 3.13 2115 1251 A 64 ARG HBy A 65 ASN H 1.0 0.0 3.60 2116 1251 A 64 ARG HBx A 65 ASN H 1.0 0.0 3.60 2117 1252 A 65 ASN H A 66 VAL HG2% 1.0 0.0 4.77 2118 1253 A 4 ASN HA A 4 ASN HD22 1.0 0.0 3.94 2119 1254 A 4 ASN HA A 4 ASN HD21 1.0 0.0 3.86 2120 1255 A 4 ASN HD22 A 4 ASN HBx 1.0 0.0 4.26 2121 1256 A 42 GLY H A 41 SER HBx 1.0 0.0 4.36 2122 1256 A 40 PRO HDy A 42 GLY H 1.0 0.0 4.36 2123 1256 A 41 SER HBy A 42 GLY H 1.0 0.0 4.36 2124 1257 A 39 ALA HB% A 42 GLY H 1.0 0.0 4.85 2125 1257 A 19 ILE HG1y A 42 GLY H 1.0 0.0 4.85 2126 1258 A 19 ILE HD1% A 42 GLY H 1.0 0.0 4.99 2127 1259 A 38 ASP HBy A 42 GLY H 1.0 0.0 5.70 2128 1260 A 19 ILE HG2% A 42 GLY H 1.0 0.0 5.70 2129 1261 A 6 GLN H A 6 GLN HE22 1.0 0.0 5.70 2130 1262 A 13 GLN HE21 A 70 LEU HD1% 1.0 0.0 5.70 2131 1262 A 11 VAL HG2% A 13 GLN HE21 1.0 0.0 5.70 2132 1262 A 12 VAL HG1% A 13 GLN HE21 1.0 0.0 5.70 2133 1262 A 70 LEU HD2% A 13 GLN HE21 1.0 0.0 5.70 2134 1263 A 31 GLY H A 31 GLY HAy 1.0 0.0 3.05 2135 1263 A 31 GLY H A 30 PRO HA 1.0 0.0 3.05 2136 1264 A 31 GLY H A 30 PRO HBy 1.0 0.0 4.40 2137 1265 A 13 GLN HE22 A 13 GLN HGx 1.0 0.0 3.97 2138 1265 A 13 GLN HGy A 13 GLN HE22 1.0 0.0 3.97 2139 1266 A 6 GLN HGy A 6 GLN HE22 1.0 0.0 4.29 2140 1267 A 13 GLN HBx A 13 GLN HE21 1.0 0.0 5.70 2141 1268 A 53 SER HA A 6 GLN HE21 1.0 0.0 5.70 2142 1269 A 6 GLN HE21 A 53 SER HBx 1.0 0.0 5.52 2143 1269 A 6 GLN HE21 A 53 SER HBy 1.0 0.0 5.52 2144 1270 A 51 GLU H A 52 ASP H 1.0 0.0 3.80 2145 1271 A 52 ASP H A 56 LEU H 1.0 0.0 5.39 2146 1271 A 25 GLN H A 25 GLN HE22 1.0 0.0 5.39 2147 1272 A 50 ALA HA A 52 ASP H 1.0 0.0 5.02 2148 1273 A 55 THR HB A 52 ASP H 1.0 0.0 3.86 2149 1274 A 52 ASP H A 50 ALA HB% 1.0 0.0 3.87 2150 1274 A 52 ASP H A 55 THR HG2% 1.0 0.0 3.87 2151 1275 A 23 SER H A 25 GLN HE21 1.0 0.0 5.70 2152 1275 A 22 ILE H A 25 GLN HE21 1.0 0.0 5.70 2153 1276 A 22 ILE HA A 25 GLN HE22 1.0 0.0 4.64 2154 1277 A 25 GLN HGy A 25 GLN HE22 1.0 0.0 3.98 2155 1278 A 27 ASN HD22 A 34 VAL HG2% 1.0 0.0 5.04 2156 1278 A 66 VAL HG1% A 25 GLN HE22 1.0 0.0 5.04 2157 1279 A 22 ILE HA A 25 GLN HE21 1.0 0.0 4.96 2158 1280 A 24 THR HG2% A 25 GLN HE21 1.0 0.0 5.70 2159 1280 A 66 VAL HG2% A 25 GLN HE21 1.0 0.0 5.70 2160 1281 A 66 VAL HG1% A 25 GLN HE21 1.0 0.0 4.74 2161 1282 A 24 THR HA A 27 ASN HD21 1.0 0.0 4.89 2162 1283 A 27 ASN H A 27 ASN HD21 1.0 0.0 5.70 2163 1284 A 27 ASN HD22 A 34 VAL H 1.0 0.0 4.98 2164 1285 A 27 ASN HD22 A 27 ASN H 1.0 0.0 5.50 2165 1286 A 33 GLU HA A 27 ASN HD22 1.0 0.0 5.38 2166 1287 A 27 ASN HD22 A 27 ASN HBx 1.0 0.0 3.72 2167 1287 A 27 ASN HBy A 27 ASN HD22 1.0 0.0 3.72 2168 1288 A 25 GLN HBy A 25 GLN HE22 1.0 0.0 4.39 2169 1288 A 27 ASN HD22 A 34 VAL HB 1.0 0.0 4.39 2170 1289 A 27 ASN HD22 A 34 VAL HG2% 1.0 0.0 5.70 2171 1290 A 33 GLU HA A 27 ASN HD21 1.0 0.0 5.70 2172 1291 A 27 ASN HD21 A 27 ASN HBx 1.0 0.0 3.85 2173 1291 A 27 ASN HBy A 27 ASN HD21 1.0 0.0 3.85 2174 1292 A 34 VAL HB A 27 ASN HD21 1.0 0.0 4.29 2175 1293 A 34 VAL HG2% A 27 ASN HD21 1.0 0.0 5.70 2176 1294 A 82 GLN HA A 83 GLY H 1.0 0.0 3.72 2177 1295 A 83 GLY H A 82 GLN HGx 1.0 0.0 5.70 2178 1295 A 82 GLN HGy A 83 GLY H 1.0 0.0 5.70 2179 1296 A 43 GLN HE22 A 41 SER HBx 1.0 0.0 4.85 2180 1296 A 43 GLN HE22 A 41 SER HBy 1.0 0.0 4.85 2181 1297 A 43 GLN HE22 A 43 GLN HGy 1.0 0.0 4.10 2182 1298 A 45 ILE HD1% A 43 GLN HE22 1.0 0.0 4.39 2183 1298 A 11 VAL HG1% A 43 GLN HE22 1.0 0.0 4.39 2184 1299 A 45 ILE HD1% A 43 GLN HE21 1.0 0.0 4.61 2185 1299 A 11 VAL HG1% A 43 GLN HE21 1.0 0.0 4.61 2186 1300 A 19 ILE HG1y A 41 SER H 1.0 0.0 5.70 2187 1300 A 39 ALA HB% A 41 SER H 1.0 0.0 5.70 2188 1301 A 41 SER H A 38 ASP HBy 1.0 0.0 5.11 2189 1302 A 41 SER H A 42 GLY H 1.0 0.0 3.60 2190 1303 A 43 GLN H A 41 SER H 1.0 0.0 5.31 2191 1304 A 41 SER H A 41 SER HBx 1.0 0.0 3.37 2192 1304 A 41 SER H A 41 SER HBy 1.0 0.0 3.37 2193 1305 A 42 GLY HAx A 41 SER H 1.0 0.0 5.70 2194 1306 A 41 SER H A 40 PRO HBx 1.0 0.0 3.91 2195 1307 A 7 VAL HGx% A 5 TRP HZ2 1.0 0.0 5.29 2196 1308 A 5 TRP HZ2 A 49 GLU HGx 1.0 0.0 5.48 2197 1308 A 49 GLU HGy A 5 TRP HZ2 1.0 0.0 5.48 2198 1309 A 66 VAL HG2% A 29 PHE HE% 1.0 0.0 3.60 2199 1310 A 29 PHE HE% A 62 SER HBx 1.0 0.0 3.53 2200 1310 A 26 LEU HA A 29 PHE HE% 1.0 0.0 3.53 2201 1310 A 63 VAL HA A 29 PHE HE% 1.0 0.0 3.53 2202 1311 A 66 VAL HB A 29 PHE HE% 1.0 0.0 4.98 2203 1311 A 25 GLN HGx A 29 PHE HE% 1.0 0.0 4.98 2204 1312 A 25 GLN HBx A 29 PHE HE% 1.0 0.0 5.38 2205 1313 A 29 PHE HE% A 63 VAL HG2% 1.0 0.0 3.69 2206 1314 A 26 LEU HD2% A 29 PHE HE% 1.0 0.0 3.82 2207 1315 A 29 PHE HA A 29 PHE HD% 1.0 0.0 3.53 2208 1316 A 29 PHE HD% A 62 SER HBx 1.0 0.0 3.54 2209 1316 A 63 VAL HA A 29 PHE HD% 1.0 0.0 3.54 2210 1317 A 28 ALA HB% A 29 PHE HD% 1.0 0.0 5.09 2211 1318 A 29 PHE HD% A 59 THR HG2% 1.0 0.0 4.37 2212 1319 A 29 PHE HD% A 63 VAL HG2% 1.0 0.0 3.70 2213 1320 A 26 LEU HD2% A 29 PHE HD% 1.0 0.0 3.80 2214 1321 A 29 PHE HD% A 30 PRO HDy 1.0 0.0 5.14 2215 1322 A 62 SER HBx A 29 PHE HZ 1.0 0.0 4.04 2216 1322 A 26 LEU HA A 29 PHE HZ 1.0 0.0 4.04 2217 1322 A 63 VAL HA A 29 PHE HZ 1.0 0.0 4.04 2218 1323 A 25 GLN HGx A 29 PHE HZ 1.0 0.0 5.16 2219 1323 A 66 VAL HB A 29 PHE HZ 1.0 0.0 5.16 2220 1324 A 66 VAL HG2% A 29 PHE HZ 1.0 0.0 3.15 2221 1325 A 63 VAL HG2% A 29 PHE HZ 1.0 0.0 4.26 2222 1325 A 66 VAL HG1% A 29 PHE HZ 1.0 0.0 4.26 2223 1326 A 26 LEU HD2% A 29 PHE HZ 1.0 0.0 4.52 2224 1327 A 62 SER HA A 29 PHE HZ 1.0 0.0 5.44 2225 1328 A 5 TRP H A 5 TRP HD1 1.0 0.0 4.58 2226 1329 A 5 TRP HA A 5 TRP HD1 1.0 0.0 4.61 2227 1330 A 7 VAL HGy% A 5 TRP HH2 1.0 0.0 5.58 2228 1330 A 7 VAL HGx% A 5 TRP HH2 1.0 0.0 5.58 2229 1331 A 5 TRP HZ3 A 49 GLU HBx 1.0 0.0 5.53 2230 1331 A 49 GLU HBy A 5 TRP HZ3 1.0 0.0 5.53 2231 1332 A 6 GLN HA A 5 TRP HZ3 1.0 0.0 4.39 2232 1332 A 50 ALA HA A 5 TRP HZ3 1.0 0.0 4.39 2233 1333 A 5 TRP HZ3 A 49 GLU HGx 1.0 0.0 4.17 2234 1333 A 49 GLU HGy A 5 TRP HZ3 1.0 0.0 4.17 2235 1334 A 5 TRP HE3 A 50 ALA H 1.0 0.0 5.35 2236 1335 A 5 TRP HE3 A 51 GLU H 1.0 0.0 5.03 2237 1335 A 6 GLN H A 5 TRP HE3 1.0 0.0 5.03 2238 1336 A 6 GLN HA A 5 TRP HE3 1.0 0.0 4.60 2239 1336 A 50 ALA HA A 5 TRP HE3 1.0 0.0 4.60 2240 1337 A 5 TRP HBy A 5 TRP HE3 1.0 0.0 3.84 2241 1338 A 5 TRP HE3 A 49 GLU HGx 1.0 0.0 4.02 2242 1338 A 49 GLU HGy A 5 TRP HE3 1.0 0.0 4.02 2243 1339 A 5 TRP HE3 A 49 GLU HBx 1.0 0.0 3.90 2244 1339 A 5 TRP HE3 A 49 GLU HBy 1.0 0.0 3.90 2245 1340 A 7 VAL HGx% A 5 TRP HE3 1.0 0.0 5.23 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 5 TRP C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -179.8 -64.4 PHI 2 2 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 VAL N 1.0 120.8 174.8 PSI 3 3 A 6 GLN C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -154.7 -95.9 PHI 4 4 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 CYS N 1.0 102.1 172.9 PSI 5 5 A 7 VAL C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -163.4 -102.4 PHI 6 6 A 8 CYS N A 8 CYS CA A 8 CYS C A 9 SER N 1.0 127.2 166.0 PSI 7 7 A 8 CYS C A 9 SER N A 9 SER CA A 9 SER C 1.0 -165.7 -84.1 PHI 8 8 A 9 SER N A 9 SER CA A 9 SER C A 10 LEU N 1.0 124.9 160.3 PSI 9 9 A 9 SER C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -156.9 -80.7 PHI 10 10 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 VAL N 1.0 97.4 171.0 PSI 11 11 A 10 LEU C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -138.1 -69.9 PHI 12 12 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 VAL N 1.0 102.7 138.5 PSI 13 13 A 11 VAL C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -154.8 -73.6 PHI 14 14 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 GLN N 1.0 102.8 159.4 PSI 15 15 A 12 VAL C A 13 GLN N A 13 GLN CA A 13 GLN C 1.0 -150.2 -72.2 PHI 16 16 A 13 GLN N A 13 GLN CA A 13 GLN C A 14 ALA N 1.0 108.4 145.2 PSI 17 17 A 13 GLN C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -166.6 -87.8 PHI 18 18 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 LYS N 1.0 110.2 172.0 PSI 19 19 A 14 ALA C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -96.6 -50.2 PHI 20 20 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 SER N 1.0 113.3 168.9 PSI 21 21 A 15 LYS C A 16 SER N A 16 SER CA A 16 SER C 1.0 -64.8 -50.4 PHI 22 22 A 16 SER N A 16 SER CA A 16 SER C A 17 GLU N 1.0 -52.8 -26.8 PSI 23 23 A 16 SER C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -86.1 -50.9 PHI 24 24 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ARG N 1.0 -52.9 -0.3 PSI 25 25 A 17 GLU C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -123.4 -73.6 PHI 26 26 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 ILE N 1.0 -54.8 44.4 PSI 27 27 A 18 ARG C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -69.3 -46.7 PHI 28 28 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 SER N 1.0 -50.4 -25.6 PSI 29 29 A 19 ILE C A 20 SER N A 20 SER CA A 20 SER C 1.0 -71.7 -52.5 PHI 30 30 A 20 SER N A 20 SER CA A 20 SER C A 21 ASP N 1.0 -45.8 -32.0 PSI 31 31 A 20 SER C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -78.6 -54.0 PHI 32 32 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 ILE N 1.0 -57.2 -24.4 PSI 33 33 A 21 ASP C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -70.4 -60.0 PHI 34 34 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 SER N 1.0 -52.4 -35.0 PSI 35 35 A 22 ILE C A 23 SER N A 23 SER CA A 23 SER C 1.0 -68.2 -52.8 PHI 36 36 A 23 SER N A 23 SER CA A 23 SER C A 24 THR N 1.0 -54.5 -28.7 PSI 37 37 A 23 SER C A 24 THR N A 24 THR CA A 24 THR C 1.0 -85.8 -49.8 PHI 38 38 A 24 THR N A 24 THR CA A 24 THR C A 25 GLN N 1.0 -55.4 -26.0 PSI 39 39 A 24 THR C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -73.0 -52.4 PHI 40 40 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 LEU N 1.0 -53.0 -33.4 PSI 41 41 A 25 GLN C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -72.1 -55.9 PHI 42 42 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 ASN N 1.0 -50.1 -26.9 PSI 43 43 A 26 LEU C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 -86.3 -52.1 PHI 44 44 A 27 ASN N A 27 ASN CA A 27 ASN C A 28 ALA N 1.0 -64.2 6.4 PSI 45 45 A 28 ALA C A 29 PHE N A 29 PHE CA A 29 PHE C 1.0 -137.4 -40.8 PHI 46 46 A 29 PHE N A 29 PHE CA A 29 PHE C A 30 PRO N 1.0 84.2 179.4 PSI 47 47 A 31 GLY C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -152.8 -77.8 PHI 48 48 A 32 CYS N A 32 CYS CA A 32 CYS C A 33 GLU N 1.0 103.6 170.6 PSI 49 49 A 32 CYS C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -172.1 -95.9 PHI 50 50 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 VAL N 1.0 103.1 171.5 PSI 51 51 A 33 GLU C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -107.4 -63.4 PHI 52 52 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 ALA N 1.0 100.9 145.3 PSI 53 53 A 36 VAL C A 37 SER N A 37 SER CA A 37 SER C 1.0 -145.2 -53.6 PHI 54 54 A 37 SER N A 37 SER CA A 37 SER C A 38 ASP N 1.0 104.1 154.5 PSI 55 55 A 37 SER C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -157.6 -47.6 PHI 56 56 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 ALA N 1.0 89.6 202.0 PSI 57 57 A 38 ASP C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -73.3 -39.7 PHI 58 58 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 PRO N 1.0 -57.8 -24.2 PSI 59 59 A 40 PRO N A 40 PRO CA A 40 PRO C A 41 SER N 1.0 -43.9 -11.5 PSI 60 60 A 40 PRO C A 41 SER N A 41 SER CA A 41 SER C 1.0 -121.8 -62.4 PHI 61 61 A 41 SER N A 41 SER CA A 41 SER C A 42 GLY N 1.0 -30.5 32.9 PSI 62 62 A 41 SER C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 67.1 102.1 PHI 63 63 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 GLN N 1.0 -8.6 24.6 PSI 64 64 A 42 GLY C A 43 GLN N A 43 GLN CA A 43 GLN C 1.0 -162.9 -98.1 PHI 65 65 A 43 GLN N A 43 GLN CA A 43 GLN C A 44 LEU N 1.0 125.9 173.9 PSI 66 66 A 43 GLN C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -182.5 -82.3 PHI 67 67 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 ILE N 1.0 111.0 175.6 PSI 68 68 A 44 LEU C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -131.4 -90.0 PHI 69 69 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 VAL N 1.0 119.0 135.6 PSI 70 70 A 45 ILE C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -153.8 -88.6 PHI 71 71 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 VAL N 1.0 97.1 174.5 PSI 72 72 A 46 VAL C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -127.8 -91.6 PHI 73 73 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 VAL N 1.0 108.8 147.2 PSI 74 74 A 47 VAL C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -141.9 -100.1 PHI 75 75 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 GLU N 1.0 96.7 166.9 PSI 76 76 A 48 VAL C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -138.7 -106.7 PHI 77 77 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 ALA N 1.0 122.7 174.7 PSI 78 78 A 49 GLU C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -192.2 -52.2 PHI 79 79 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 GLU N 1.0 103.0 189.0 PSI 80 80 A 52 ASP C A 53 SER N A 53 SER CA A 53 SER C 1.0 -72.4 -46.4 PHI 81 81 A 53 SER N A 53 SER CA A 53 SER C A 54 GLU N 1.0 -56.2 -25.2 PSI 82 82 A 53 SER C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -87.2 -49.0 PHI 83 83 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 THR N 1.0 -54.2 -19.0 PSI 84 84 A 54 GLU C A 55 THR N A 55 THR CA A 55 THR C 1.0 -75.7 -57.3 PHI 85 85 A 55 THR N A 55 THR CA A 55 THR C A 56 LEU N 1.0 -56.0 -30.2 PSI 86 86 A 55 THR C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -69.1 -54.5 PHI 87 87 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 ILE N 1.0 -50.2 -35.4 PSI 88 88 A 56 LEU C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -74.2 -54.2 PHI 89 89 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 GLN N 1.0 -57.3 -33.3 PSI 90 90 A 57 ILE C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -82.6 -52.2 PHI 91 91 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 THR N 1.0 -56.0 -13.8 PSI 92 92 A 58 GLN C A 59 THR N A 59 THR CA A 59 THR C 1.0 -84.8 -51.8 PHI 93 93 A 59 THR N A 59 THR CA A 59 THR C A 60 ILE N 1.0 -52.9 -25.1 PSI 94 94 A 59 THR C A 60 ILE N A 60 ILE CA A 60 ILE C 1.0 -70.9 -56.5 PHI 95 95 A 60 ILE N A 60 ILE CA A 60 ILE C A 61 GLU N 1.0 -59.0 -32.8 PSI 96 96 A 60 ILE C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -73.0 -50.8 PHI 97 97 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 SER N 1.0 -54.1 -29.5 PSI 98 98 A 61 GLU C A 62 SER N A 62 SER CA A 62 SER C 1.0 -72.3 -58.1 PHI 99 99 A 62 SER N A 62 SER CA A 62 SER C A 63 VAL N 1.0 -51.8 -27.0 PSI 100 100 A 62 SER C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -68.9 -58.1 PHI 101 101 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 ARG N 1.0 -52.2 -37.8 PSI 102 102 A 63 VAL C A 64 ARG N A 64 ARG CA A 64 ARG C 1.0 -85.7 -44.5 PHI 103 103 A 64 ARG N A 64 ARG CA A 64 ARG C A 65 ASN N 1.0 -62.6 -9.6 PSI 104 104 A 65 ASN C A 66 VAL N A 66 VAL CA A 66 VAL C 1.0 -108.1 -52.5 PHI 105 105 A 66 VAL N A 66 VAL CA A 66 VAL C A 67 GLU N 1.0 85.3 156.7 PSI 106 106 A 68 GLY C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -102.6 -63.2 PHI 107 107 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 LEU N 1.0 115.6 144.6 PSI 108 108 A 70 LEU C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -201.6 -110.6 PHI 109 109 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 VAL N 1.0 117.0 178.6 PSI 110 110 A 71 ALA C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -149.3 -109.1 PHI 111 111 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 SER N 1.0 109.9 147.1 PSI 112 112 A 72 VAL C A 73 SER N A 73 SER CA A 73 SER C 1.0 -168.4 -70.0 PHI 113 113 A 73 SER N A 73 SER CA A 73 SER C A 74 LEU N 1.0 108.1 167.9 PSI 114 114 A 73 SER C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -124.8 -59.8 PHI 115 115 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 VAL N 1.0 105.6 158.2 PSI 116 116 A 80 GLU C A 81 GLU N A 81 GLU CA A 81 GLU C 1.0 -89.3 -51.7 PHI 117 117 A 81 GLU N A 81 GLU CA A 81 GLU C A 82 GLN N 1.0 -61.1 -10.5 PSI 118 118 A 85 GLU C A 86 THR N A 86 THR CA A 86 THR C 1.0 -148.5 -47.3 PHI 119 119 A 86 THR N A 86 THR CA A 86 THR C A 87 PRO N 1.0 74.7 179.5 PSI stop_ save_