data_nef_c26025_5kgq 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 GLY start . false 2 A 2 SER middle . . 3 A 3 ALA middle . . 4 A 4 MET middle . . 5 A 5 GLY middle . false 6 A 6 HIS middle . . 7 A 7 MET middle . . 8 A 8 VAL middle . . 9 A 9 LYS middle . . 10 A 10 ILE middle . . 11 A 11 SER middle . . 12 A 12 HIS middle . . 13 A 13 GLU middle . . 14 A 14 ASP middle . . 15 A 15 THR middle . . 16 A 16 GLN middle . . 17 A 17 ARG middle . . 18 A 18 ILE middle . . 19 A 19 LYS middle . . 20 A 20 THR middle . . 21 A 21 ALA middle . . 22 A 22 PHE middle . . 23 A 23 LEU middle . . 24 A 24 SER middle . . 25 A 25 TYR middle . . 26 A 26 ALA middle . . 27 A 27 GLN middle . . 28 A 28 GLY middle . false 29 A 29 GLN middle . . 30 A 30 ASP middle . . 31 A 31 LYS middle . . 32 A 32 VAL middle . . 33 A 33 THR middle . . 34 A 34 GLU middle . . 35 A 35 ALA middle . . 36 A 36 MET middle . . 37 A 37 ILE middle . . 38 A 38 ASP middle . . 39 A 39 GLN middle . . 40 A 40 LEU middle . . 41 A 41 ILE middle . . 42 A 42 CYS middle . . 43 A 43 GLY middle . false 44 A 44 ALA middle . . 45 A 45 PHE middle . . 46 A 46 PRO middle . false 47 A 47 GLY middle . false 48 A 48 LEU middle . . 49 A 49 SER middle . . 50 A 50 TRP middle . . 51 A 51 GLU middle . . 52 A 52 GLN middle . . 53 A 53 LEU middle . . 54 A 54 GLN middle . . 55 A 55 GLU middle . . 56 A 56 LYS middle . . 57 A 57 LYS middle . . 58 A 58 LYS middle . . 59 A 59 GLY middle . false 60 A 60 ARG middle . . 61 A 61 ALA middle . . 62 A 62 ALA middle . . 63 A 63 ALA middle . . 64 A 64 ASN middle . . 65 A 65 GLY middle . false 66 A 66 TYR middle . . 67 A 67 ASP middle . . 68 A 68 ARG middle . . 69 A 69 SER middle . . 70 A 70 ALA middle . . 71 A 71 PHE middle . . 72 A 72 PHE middle . . 73 A 73 SER middle . . 74 A 74 LEU middle . . 75 A 75 VAL middle . . 76 A 76 ALA middle . . 77 A 77 SER middle . . 78 A 78 ASP middle . . 79 A 79 GLU middle . . 80 A 80 GLN middle . . 81 A 81 TYR middle . . 82 A 82 VAL middle . . 83 A 83 ARG middle . . 84 A 84 PHE middle . . 85 A 85 ILE middle . . 86 A 86 ALA middle . . 87 A 87 GLN middle . . 88 A 88 HIS middle . . 89 A 89 PHE middle . . 90 A 90 PRO middle . false 91 A 91 CYS middle . . 92 A 92 ALA middle . . 93 A 93 PRO middle . false 94 A 94 GLU middle . . 95 A 95 GLU middle . . 96 A 96 GLU middle . . 97 A 97 LYS middle . . 98 A 98 PRO middle . false 99 A 99 PRO middle . false 100 A 100 GLU middle . . 101 A 101 ILE middle . . 102 A 102 ASP middle . . 103 A 103 ALA middle . . 104 A 104 LEU middle . . 105 A 105 GLU middle . . 106 A 106 LEU middle . . 107 A 107 LYS middle . . 108 A 108 THR middle . . 109 A 109 GLN middle . . 110 A 110 LYS middle . . 111 A 111 GLY middle . false 112 A 112 PHE end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 7 MET HA H 1 4.555 0.005 A 7 MET HBy H 1 2.030 0.027 A 7 MET HBx H 1 1.998 0.008 A 7 MET HGy H 1 2.552 0.008 A 7 MET HGx H 1 2.477 0.006 A 7 MET C C 13 176.326 0.5 A 7 MET CA C 13 55.858 0.058 A 7 MET CB C 13 34.154 0.064 A 7 MET CG C 13 32.597 0.117 A 8 VAL H H 1 8.375 0.008 A 8 VAL HA H 1 4.085 0.016 A 8 VAL HB H 1 2.110 0.007 A 8 VAL HGx% H 1 0.902 0.007 A 8 VAL HGy% H 1 0.903 0.007 A 8 VAL C C 13 175.817 0.5 A 8 VAL CA C 13 62.478 0.114 A 8 VAL CB C 13 33.362 0.116 A 8 VAL CGx C 13 21.788 0.082 A 8 VAL CGy C 13 21.792 0.087 A 8 VAL N N 15 122.004 0.122 A 9 LYS H H 1 8.468 0.009 A 9 LYS HA H 1 4.349 0.021 A 9 LYS HB2 H 1 1.804 0.032 A 9 LYS HB3 H 1 1.804 0.031 A 9 LYS HDx H 1 1.697 0.006 A 9 LYS HDy H 1 1.698 0.006 A 9 LYS HEx H 1 3.005 0.016 A 9 LYS HEy H 1 3.010 0.011 A 9 LYS HGx H 1 1.468 0.012 A 9 LYS HGy H 1 1.469 0.011 A 9 LYS C C 13 176.220 0.5 A 9 LYS CA C 13 56.265 0.006 A 9 LYS CB C 13 33.154 0.077 A 9 LYS CD C 13 29.883 0.071 A 9 LYS CE C 13 42.921 0.066 A 9 LYS CG C 13 25.276 0.081 A 9 LYS N N 15 125.985 0.031 A 10 ILE H H 1 8.222 0.003 A 10 ILE HA H 1 4.524 0.010 A 10 ILE HB H 1 1.937 0.012 A 10 ILE HD1% H 1 0.767 0.006 A 10 ILE HG1y H 1 1.568 0.006 A 10 ILE HG1x H 1 1.218 0.011 A 10 ILE HG2% H 1 1.016 0.010 A 10 ILE C C 13 176.750 0.5 A 10 ILE CA C 13 60.593 0.003 A 10 ILE CB C 13 39.925 0.066 A 10 ILE CD1 C 13 13.420 0.074 A 10 ILE CG1 C 13 27.720 0.093 A 10 ILE CG2 C 13 19.105 0.054 A 10 ILE N N 15 125.316 0.059 A 11 SER H H 1 9.805 0.003 A 11 SER HA H 1 4.642 0.005 A 11 SER HBy H 1 4.498 0.008 A 11 SER HBx H 1 4.107 0.012 A 11 SER C C 13 179.303 0.5 A 11 SER CA C 13 58.100 0.081 A 11 SER CB C 13 66.383 0.099 A 11 SER N N 15 125.092 0.024 A 12 HIS H H 1 7.943 0.04 A 12 HIS HA H 1 4.435 0.007 A 12 HIS HBy H 1 3.307 0.002 A 12 HIS HBx H 1 3.167 0.006 A 12 HIS HD2 H 1 7.033 0.04 A 12 HIS C C 13 178.556 0.5 A 12 HIS CA C 13 61.010 0.045 A 12 HIS CB C 13 30.797 0.100 A 12 HIS CD2 C 13 120.388 0.5 A 12 HIS N N 15 120.660 0.5 A 13 GLU H H 1 8.824 0.004 A 13 GLU HA H 1 3.980 0.011 A 13 GLU HBy H 1 2.087 0.011 A 13 GLU HBx H 1 1.913 0.017 A 13 GLU HGx H 1 2.370 0.007 A 13 GLU HGy H 1 2.370 0.007 A 13 GLU C C 13 179.453 0.5 A 13 GLU CA C 13 60.887 0.255 A 13 GLU CB C 13 29.886 0.139 A 13 GLU CG C 13 38.052 0.076 A 13 GLU N N 15 119.608 0.098 A 14 ASP H H 1 8.074 0.003 A 14 ASP HA H 1 4.407 0.009 A 14 ASP HBy H 1 3.073 0.010 A 14 ASP HBx H 1 2.415 0.006 A 14 ASP C C 13 179.091 0.5 A 14 ASP CA C 13 58.812 0.064 A 14 ASP CB C 13 41.190 0.088 A 14 ASP N N 15 119.286 0.102 A 15 THR H H 1 8.499 0.004 A 15 THR HA H 1 3.890 0.004 A 15 THR HB H 1 4.528 0.010 A 15 THR HG2% H 1 1.314 0.009 A 15 THR C C 13 176.929 0.5 A 15 THR CA C 13 68.641 0.088 A 15 THR CB C 13 68.816 0.124 A 15 THR CG2 C 13 22.546 0.027 A 15 THR N N 15 116.714 0.079 A 16 GLN H H 1 7.729 0.008 A 16 GLN HA H 1 4.106 0.006 A 16 GLN HBx H 1 2.379 0.006 A 16 GLN HBy H 1 2.379 0.006 A 16 GLN HE21 H 1 7.556 0.001 A 16 GLN HE22 H 1 6.813 0.021 A 16 GLN HGx H 1 2.250 0.015 A 16 GLN HGy H 1 2.255 0.019 A 16 GLN C C 13 180.044 0.5 A 16 GLN CA C 13 59.028 0.242 A 16 GLN CB C 13 28.968 0.086 A 16 GLN CD C 13 180.676 0.5 A 16 GLN CG C 13 34.426 0.111 A 16 GLN N N 15 119.349 0.090 A 16 GLN NE2 N 15 111.852 0.174 A 17 ARG H H 1 8.055 0.004 A 17 ARG HA H 1 4.298 0.007 A 17 ARG HBx H 1 2.091 0.013 A 17 ARG HBy H 1 2.093 0.012 A 17 ARG HDy H 1 3.687 0.007 A 17 ARG HDx H 1 3.239 0.005 A 17 ARG C C 13 178.824 0.5 A 17 ARG CA C 13 60.643 0.133 A 17 ARG CB C 13 31.365 0.069 A 17 ARG CD C 13 45.368 0.065 A 17 ARG N N 15 121.923 0.061 A 18 ILE H H 1 8.794 0.003 A 18 ILE HA H 1 3.638 0.003 A 18 ILE HB H 1 1.898 0.007 A 18 ILE HD1% H 1 0.711 0.010 A 18 ILE HG1y H 1 2.182 0.007 A 18 ILE HG1x H 1 0.793 0.010 A 18 ILE HG2% H 1 0.675 0.010 A 18 ILE C C 13 178.353 0.5 A 18 ILE CA C 13 66.939 0.083 A 18 ILE CB C 13 38.556 0.135 A 18 ILE CD1 C 13 15.518 0.018 A 18 ILE CG1 C 13 30.791 0.060 A 18 ILE CG2 C 13 18.731 0.108 A 18 ILE N N 15 120.737 0.043 A 19 LYS H H 1 7.966 0.005 A 19 LYS HA H 1 4.073 0.015 A 19 LYS HBx H 1 2.077 0.013 A 19 LYS HBy H 1 2.078 0.012 A 19 LYS HD2 H 1 1.696 0.007 A 19 LYS HD3 H 1 1.696 0.007 A 19 LYS HEx H 1 2.933 0.020 A 19 LYS HEy H 1 2.938 0.022 A 19 LYS HGx H 1 1.460 0.021 A 19 LYS HGy H 1 1.463 0.016 A 19 LYS C C 13 179.331 0.5 A 19 LYS CA C 13 61.186 0.074 A 19 LYS CB C 13 32.955 0.105 A 19 LYS CD C 13 29.907 0.082 A 19 LYS CE C 13 42.857 0.103 A 19 LYS CG C 13 25.282 0.073 A 19 LYS N N 15 120.166 0.111 A 20 THR H H 1 7.762 0.005 A 20 THR HA H 1 3.859 0.009 A 20 THR HB H 1 4.542 0.008 A 20 THR HG2% H 1 1.386 0.005 A 20 THR C C 13 177.107 0.5 A 20 THR CA C 13 67.165 0.042 A 20 THR CB C 13 69.113 0.077 A 20 THR CG2 C 13 23.639 0.053 A 20 THR N N 15 117.282 0.043 A 21 ALA H H 1 8.566 0.003 A 21 ALA HA H 1 2.827 0.005 A 21 ALA HB% H 1 1.092 0.003 A 21 ALA C C 13 178.428 0.5 A 21 ALA CA C 13 55.814 0.047 A 21 ALA CB C 13 18.818 0.086 A 21 ALA N N 15 125.740 0.055 A 22 PHE H H 1 8.628 0.010 A 22 PHE HA H 1 2.745 0.010 A 22 PHE HBy H 1 3.014 0.008 A 22 PHE HBx H 1 2.780 0.013 A 22 PHE HDx H 1 6.540 0.020 A 22 PHE HDy H 1 6.540 0.020 A 22 PHE HEx H 1 7.128 0.013 A 22 PHE HEy H 1 7.128 0.013 A 22 PHE HZ H 1 7.153 0.021 A 22 PHE C C 13 176.155 0.5 A 22 PHE CA C 13 62.897 0.022 A 22 PHE CB C 13 38.791 0.109 A 22 PHE CDx C 13 131.837 0.105 A 22 PHE CDy C 13 131.837 0.105 A 22 PHE CEx C 13 130.251 0.066 A 22 PHE CEy C 13 130.251 0.066 A 22 PHE CZ C 13 131.002 0.5 A 22 PHE N N 15 118.621 0.036 A 23 LEU H H 1 7.544 0.005 A 23 LEU HA H 1 3.736 0.008 A 23 LEU HBy H 1 1.956 0.010 A 23 LEU HBx H 1 1.528 0.012 A 23 LEU HDx% H 1 0.996 0.006 A 23 LEU HDy% H 1 0.983 0.009 A 23 LEU HG H 1 1.970 0.010 A 23 LEU C C 13 180.970 0.5 A 23 LEU CA C 13 58.148 0.026 A 23 LEU CB C 13 42.456 0.046 A 23 LEU CDx C 13 23.581 0.064 A 23 LEU CDy C 13 26.356 0.063 A 23 LEU CG C 13 27.654 0.088 A 23 LEU N N 15 115.775 0.068 A 24 SER H H 1 7.847 0.003 A 24 SER HA H 1 4.157 0.011 A 24 SER HBx H 1 3.840 0.016 A 24 SER HBy H 1 3.866 0.025 A 24 SER C C 13 178.392 0.5 A 24 SER CA C 13 61.982 0.109 A 24 SER CB C 13 63.976 0.069 A 24 SER N N 15 114.543 0.044 A 25 TYR H H 1 8.517 0.010 A 25 TYR HA H 1 4.287 0.010 A 25 TYR HBy H 1 2.897 0.011 A 25 TYR HBx H 1 2.456 0.018 A 25 TYR HDx H 1 7.156 0.012 A 25 TYR HDy H 1 7.156 0.012 A 25 TYR HEx H 1 6.788 0.022 A 25 TYR HEy H 1 6.788 0.022 A 25 TYR C C 13 177.762 0.5 A 25 TYR CA C 13 61.564 0.109 A 25 TYR CB C 13 38.814 0.091 A 25 TYR CDx C 13 132.177 0.163 A 25 TYR CDy C 13 132.177 0.163 A 25 TYR CEx C 13 118.576 0.049 A 25 TYR CEy C 13 118.576 0.049 A 25 TYR N N 15 118.813 0.027 A 26 ALA H H 1 8.434 0.003 A 26 ALA HA H 1 3.864 0.005 A 26 ALA HB% H 1 0.654 0.006 A 26 ALA C C 13 179.578 0.5 A 26 ALA CA C 13 54.473 0.102 A 26 ALA CB C 13 18.442 0.252 A 26 ALA N N 15 120.112 0.034 A 27 GLN H H 1 7.511 0.002 A 27 GLN HA H 1 4.034 0.012 A 27 GLN HBx H 1 2.219 0.007 A 27 GLN HBy H 1 2.222 0.009 A 27 GLN HE21 H 1 7.043 0.011 A 27 GLN HE22 H 1 6.924 0.008 A 27 GLN HGx H 1 2.382 0.019 A 27 GLN HGy H 1 2.387 0.015 A 27 GLN C C 13 176.684 0.5 A 27 GLN CA C 13 57.341 0.010 A 27 GLN CB C 13 27.833 0.050 A 27 GLN CD C 13 180.116 0.5 A 27 GLN CG C 13 37.136 0.078 A 27 GLN N N 15 113.475 0.038 A 27 GLN NE2 N 15 111.340 0.102 A 28 GLY H H 1 8.815 0.002 A 28 GLY HAy H 1 4.233 0.006 A 28 GLY HAx H 1 3.636 0.008 A 28 GLY C C 13 175.238 0.5 A 28 GLY CA C 13 46.022 0.035 A 28 GLY N N 15 105.255 0.018 A 29 GLN H H 1 7.478 0.009 A 29 GLN HA H 1 4.653 0.009 A 29 GLN HBy H 1 2.541 0.009 A 29 GLN HBx H 1 2.359 0.009 A 29 GLN HE21 H 1 7.592 0.001 A 29 GLN HE22 H 1 6.880 0.011 A 29 GLN HGy H 1 2.422 0.013 A 29 GLN HGx H 1 2.421 0.013 A 29 GLN C C 13 175.319 0.5 A 29 GLN CA C 13 54.709 0.003 A 29 GLN CB C 13 30.341 0.197 A 29 GLN CD C 13 180.951 0.5 A 29 GLN CG C 13 34.818 0.131 A 29 GLN N N 15 118.184 0.026 A 29 GLN NE2 N 15 113.072 0.131 A 30 ASP H H 1 8.539 0.005 A 30 ASP HA H 1 4.684 0.011 A 30 ASP HBy H 1 2.822 0.009 A 30 ASP HBx H 1 2.821 0.009 A 30 ASP C C 13 175.850 0.5 A 30 ASP CA C 13 55.768 0.095 A 30 ASP CB C 13 41.768 0.056 A 30 ASP N N 15 116.339 0.073 A 31 LYS H H 1 7.247 0.006 A 31 LYS HA H 1 4.974 0.010 A 31 LYS HB2 H 1 1.594 0.007 A 31 LYS HB3 H 1 1.593 0.007 A 31 LYS HDy H 1 1.614 0.011 A 31 LYS HDx H 1 1.610 0.014 A 31 LYS HEx H 1 2.994 0.008 A 31 LYS HEy H 1 2.995 0.006 A 31 LYS HGy H 1 1.394 0.014 A 31 LYS HGx H 1 1.245 0.005 A 31 LYS C C 13 174.993 0.5 A 31 LYS CA C 13 55.217 0.074 A 31 LYS CB C 13 37.106 0.058 A 31 LYS CD C 13 30.035 0.085 A 31 LYS CE C 13 43.013 0.071 A 31 LYS CG C 13 25.454 0.071 A 31 LYS N N 15 114.371 0.021 A 32 VAL H H 1 8.943 0.005 A 32 VAL HA H 1 4.067 0.014 A 32 VAL HB H 1 2.008 0.015 A 32 VAL HGx% H 1 1.018 0.008 A 32 VAL HGy% H 1 0.486 0.005 A 32 VAL C C 13 177.001 0.5 A 32 VAL CA C 13 61.698 0.136 A 32 VAL CB C 13 33.560 0.087 A 32 VAL CGy C 13 24.023 0.091 A 32 VAL CGx C 13 23.792 0.143 A 32 VAL N N 15 121.575 0.064 A 33 THR H H 1 8.732 0.002 A 33 THR HA H 1 4.395 0.007 A 33 THR HB H 1 4.713 0.009 A 33 THR HG2% H 1 1.429 0.006 A 33 THR C C 13 176.068 0.5 A 33 THR CA C 13 62.348 0.072 A 33 THR CB C 13 71.685 0.180 A 33 THR CG2 C 13 22.828 0.091 A 33 THR N N 15 118.247 0.039 A 34 GLU H H 1 9.055 0.002 A 34 GLU HA H 1 3.910 0.013 A 34 GLU HBx H 1 2.164 0.012 A 34 GLU HBy H 1 2.170 0.018 A 34 GLU HGx H 1 2.265 0.008 A 34 GLU HGy H 1 2.268 0.005 A 34 GLU C C 13 177.882 0.5 A 34 GLU CA C 13 60.404 0.082 A 34 GLU CB C 13 29.321 0.065 A 34 GLU CG C 13 36.967 0.101 A 34 GLU N N 15 122.007 0.045 A 35 ALA H H 1 8.240 0.005 A 35 ALA HA H 1 4.161 0.008 A 35 ALA HB% H 1 1.438 0.003 A 35 ALA C C 13 181.606 0.5 A 35 ALA CA C 13 55.564 0.198 A 35 ALA CB C 13 18.409 0.030 A 35 ALA N N 15 117.687 0.097 A 36 MET H H 1 7.503 0.004 A 36 MET HA H 1 4.616 0.016 A 36 MET HBy H 1 2.312 0.012 A 36 MET HBx H 1 1.883 0.012 A 36 MET HE% H 1 2.116 0.04 A 36 MET HGy H 1 3.034 0.008 A 36 MET HGx H 1 2.551 0.016 A 36 MET C C 13 179.152 0.5 A 36 MET CA C 13 56.809 0.065 A 36 MET CB C 13 32.687 0.062 A 36 MET CE C 13 17.825 0.5 A 36 MET CG C 13 34.084 0.156 A 36 MET N N 15 116.399 0.028 A 37 ILE H H 1 8.060 0.007 A 37 ILE HA H 1 3.607 0.008 A 37 ILE HB H 1 1.760 0.012 A 37 ILE HD1% H 1 0.278 0.016 A 37 ILE HG1y H 1 0.793 0.004 A 37 ILE HG1x H 1 0.359 0.011 A 37 ILE HG2% H 1 0.680 0.011 A 37 ILE C C 13 178.639 0.5 A 37 ILE CA C 13 62.280 0.049 A 37 ILE CB C 13 36.155 0.162 A 37 ILE CD1 C 13 11.763 0.150 A 37 ILE CG1 C 13 28.251 0.113 A 37 ILE CG2 C 13 18.881 0.086 A 37 ILE N N 15 123.887 0.073 A 38 ASP H H 1 8.403 0.002 A 38 ASP HA H 1 4.244 0.009 A 38 ASP HBy H 1 2.865 0.010 A 38 ASP HBx H 1 2.490 0.013 A 38 ASP C C 13 179.256 0.5 A 38 ASP CA C 13 58.047 0.083 A 38 ASP CB C 13 40.082 0.077 A 38 ASP N N 15 121.261 0.068 A 39 GLN H H 1 7.337 0.004 A 39 GLN HA H 1 3.976 0.014 A 39 GLN HBx H 1 2.387 0.009 A 39 GLN HBy H 1 2.388 0.009 A 39 GLN HE21 H 1 7.493 0.004 A 39 GLN HE22 H 1 6.900 0.022 A 39 GLN HGx H 1 2.683 0.006 A 39 GLN HGy H 1 2.684 0.005 A 39 GLN C C 13 179.907 0.5 A 39 GLN CA C 13 59.467 0.124 A 39 GLN CB C 13 28.382 0.001 A 39 GLN CD C 13 180.366 0.5 A 39 GLN CG C 13 35.000 0.027 A 39 GLN N N 15 118.240 0.014 A 39 GLN NE2 N 15 112.022 0.094 A 40 LEU H H 1 7.563 0.005 A 40 LEU HA H 1 4.008 0.015 A 40 LEU HBy H 1 1.872 0.013 A 40 LEU HBx H 1 1.113 0.013 A 40 LEU HDx% H 1 0.924 0.010 A 40 LEU HDy% H 1 0.400 0.014 A 40 LEU HG H 1 1.312 0.011 A 40 LEU C C 13 174.995 0.5 A 40 LEU CA C 13 59.075 0.168 A 40 LEU CB C 13 41.325 0.089 A 40 LEU CDx C 13 25.261 0.178 A 40 LEU CDy C 13 26.686 0.186 A 40 LEU CG C 13 28.365 0.075 A 40 LEU N N 15 124.090 0.020 A 41 ILE H H 1 8.529 0.013 A 41 ILE HA H 1 3.661 0.007 A 41 ILE HB H 1 1.677 0.020 A 41 ILE HD1% H 1 0.642 0.008 A 41 ILE HG1y H 1 1.720 0.013 A 41 ILE HG1x H 1 1.269 0.017 A 41 ILE HG2% H 1 0.965 0.013 A 41 ILE C C 13 178.530 0.5 A 41 ILE CA C 13 67.505 0.117 A 41 ILE CB C 13 38.869 0.025 A 41 ILE CD1 C 13 15.495 0.014 A 41 ILE CG1 C 13 28.411 0.078 A 41 ILE CG2 C 13 19.020 0.060 A 41 ILE N N 15 118.869 0.038 A 42 CYS H H 1 8.436 0.005 A 42 CYS HA H 1 4.192 0.005 A 42 CYS HB2 H 1 2.913 0.008 A 42 CYS HB3 H 1 2.914 0.008 A 42 CYS C C 13 176.885 0.5 A 42 CYS CA C 13 62.888 0.033 A 42 CYS CB C 13 27.876 0.084 A 42 CYS N N 15 114.140 0.029 A 43 GLY H H 1 7.542 0.003 A 43 GLY HAy H 1 3.653 0.003 A 43 GLY HAx H 1 3.143 0.005 A 43 GLY C C 13 174.789 0.5 A 43 GLY CA C 13 46.974 0.045 A 43 GLY N N 15 107.949 0.033 A 44 ALA H H 1 7.574 0.002 A 44 ALA HA H 1 3.638 0.003 A 44 ALA HB% H 1 0.900 0.006 A 44 ALA C C 13 176.936 0.5 A 44 ALA CA C 13 54.609 0.095 A 44 ALA CB C 13 19.767 0.099 A 44 ALA N N 15 123.031 0.035 A 45 PHE H H 1 8.019 0.004 A 45 PHE HA H 1 4.686 0.006 A 45 PHE HBy H 1 2.949 0.021 A 45 PHE HBx H 1 2.825 0.009 A 45 PHE HDx H 1 7.309 0.012 A 45 PHE HDy H 1 7.309 0.012 A 45 PHE HEx H 1 6.830 0.027 A 45 PHE HEy H 1 6.830 0.027 A 45 PHE HZ H 1 6.904 0.027 A 45 PHE CA C 13 55.522 0.140 A 45 PHE CB C 13 39.741 0.119 A 45 PHE CDx C 13 132.326 0.148 A 45 PHE CDy C 13 132.326 0.148 A 45 PHE CEx C 13 131.358 0.040 A 45 PHE CEy C 13 131.358 0.040 A 45 PHE CZ C 13 129.632 0.046 A 45 PHE N N 15 115.553 0.021 A 46 PRO HA H 1 4.574 0.014 A 46 PRO HBy H 1 2.325 0.014 A 46 PRO HBx H 1 1.895 0.008 A 46 PRO HDy H 1 3.471 0.011 A 46 PRO HDx H 1 3.362 0.014 A 46 PRO HGx H 1 2.023 0.018 A 46 PRO HGy H 1 2.027 0.015 A 46 PRO C C 13 179.742 0.5 A 46 PRO CA C 13 64.149 0.058 A 46 PRO CB C 13 32.436 0.105 A 46 PRO CD C 13 50.522 0.133 A 46 PRO CG C 13 28.150 0.086 A 47 GLY H H 1 8.828 0.008 A 47 GLY HAy H 1 4.087 0.009 A 47 GLY HAx H 1 3.825 0.004 A 47 GLY C C 13 175.534 0.5 A 47 GLY CA C 13 46.450 0.059 A 47 GLY N N 15 110.622 0.018 A 48 LEU H H 1 7.918 0.007 A 48 LEU HA H 1 4.325 0.016 A 48 LEU HBy H 1 1.965 0.011 A 48 LEU HBx H 1 1.615 0.010 A 48 LEU HDx% H 1 0.702 0.018 A 48 LEU HDy% H 1 0.648 0.018 A 48 LEU HG H 1 2.120 0.008 A 48 LEU C C 13 178.319 0.5 A 48 LEU CA C 13 56.024 0.095 A 48 LEU CB C 13 42.427 0.059 A 48 LEU CDx C 13 24.469 0.046 A 48 LEU CDy C 13 27.409 0.117 A 48 LEU CG C 13 26.470 0.103 A 48 LEU N N 15 121.435 0.017 A 49 SER H H 1 8.757 0.006 A 49 SER HA H 1 4.641 0.008 A 49 SER HBy H 1 4.495 0.005 A 49 SER HBx H 1 4.101 0.008 A 49 SER C C 13 175.209 0.5 A 49 SER CA C 13 56.988 0.077 A 49 SER CB C 13 66.408 0.069 A 49 SER N N 15 119.477 0.048 A 50 TRP H H 1 9.157 0.011 A 50 TRP HA H 1 4.188 0.009 A 50 TRP HBy H 1 3.461 0.005 A 50 TRP HBx H 1 3.261 0.006 A 50 TRP HD1 H 1 7.287 0.006 A 50 TRP HE1 H 1 10.138 0.003 A 50 TRP HE3 H 1 7.496 0.012 A 50 TRP HH2 H 1 7.201 0.007 A 50 TRP HZ2 H 1 7.434 0.010 A 50 TRP HZ3 H 1 7.145 0.005 A 50 TRP C C 13 179.095 0.5 A 50 TRP CA C 13 62.917 0.041 A 50 TRP CB C 13 29.426 0.046 A 50 TRP CD1 C 13 127.607 0.043 A 50 TRP CE3 C 13 121.059 0.031 A 50 TRP CH2 C 13 125.505 0.056 A 50 TRP CZ2 C 13 115.408 0.042 A 50 TRP CZ3 C 13 122.863 0.110 A 50 TRP N N 15 122.788 0.012 A 50 TRP NE1 N 15 129.924 0.015 A 51 GLU H H 1 9.111 0.008 A 51 GLU HA H 1 3.724 0.005 A 51 GLU HBy H 1 2.094 0.012 A 51 GLU HBx H 1 1.967 0.013 A 51 GLU HGy H 1 2.486 0.011 A 51 GLU HGx H 1 2.391 0.011 A 51 GLU C C 13 180.305 0.5 A 51 GLU CA C 13 61.311 0.071 A 51 GLU CB C 13 29.682 0.107 A 51 GLU CG C 13 37.799 0.095 A 51 GLU N N 15 117.742 0.031 A 52 GLN H H 1 7.763 0.007 A 52 GLN HA H 1 3.961 0.015 A 52 GLN HBx H 1 1.890 0.012 A 52 GLN HBy H 1 1.894 0.017 A 52 GLN HE21 H 1 7.558 0.002 A 52 GLN HE22 H 1 6.896 0.001 A 52 GLN HGy H 1 2.339 0.018 A 52 GLN HGx H 1 2.332 0.009 A 52 GLN C C 13 179.411 0.5 A 52 GLN CA C 13 58.569 0.081 A 52 GLN CB C 13 29.484 0.001 A 52 GLN CD C 13 180.266 0.5 A 52 GLN CG C 13 37.344 0.002 A 52 GLN N N 15 119.621 0.122 A 52 GLN NE2 N 15 112.352 0.154 A 53 LEU H H 1 8.368 0.005 A 53 LEU HA H 1 3.804 0.006 A 53 LEU HBy H 1 1.907 0.011 A 53 LEU HBx H 1 1.286 0.010 A 53 LEU HDx% H 1 0.886 0.009 A 53 LEU HDy% H 1 0.632 0.006 A 53 LEU HG H 1 1.122 0.007 A 53 LEU C C 13 178.350 0.5 A 53 LEU CA C 13 59.293 0.116 A 53 LEU CB C 13 41.339 0.201 A 53 LEU CDx C 13 24.290 0.093 A 53 LEU CDy C 13 26.539 0.105 A 53 LEU CG C 13 28.246 0.100 A 53 LEU N N 15 123.090 0.044 A 54 GLN H H 1 7.603 0.008 A 54 GLN HA H 1 3.679 0.013 A 54 GLN HBy H 1 1.879 0.010 A 54 GLN HBx H 1 1.732 0.012 A 54 GLN HE21 H 1 7.589 0.012 A 54 GLN HE22 H 1 6.981 0.006 A 54 GLN HG2 H 1 1.524 0.004 A 54 GLN HG3 H 1 1.524 0.004 A 54 GLN C C 13 180.622 0.5 A 54 GLN CA C 13 58.111 0.078 A 54 GLN CB C 13 26.902 0.192 A 54 GLN CG C 13 32.264 0.086 A 54 GLN N N 15 114.325 0.037 A 54 GLN NE2 N 15 113.137 0.067 A 55 GLU H H 1 7.584 0.005 A 55 GLU HA H 1 3.938 0.010 A 55 GLU HBx H 1 2.068 0.013 A 55 GLU HBy H 1 2.072 0.007 A 55 GLU HGy H 1 2.267 0.009 A 55 GLU HGx H 1 2.047 0.010 A 55 GLU C C 13 179.747 0.5 A 55 GLU CA C 13 59.699 0.049 A 55 GLU CB C 13 29.663 0.192 A 55 GLU CG C 13 36.831 0.161 A 55 GLU N N 15 119.384 0.035 A 56 LYS H H 1 7.576 0.003 A 56 LYS HA H 1 4.048 0.015 A 56 LYS HBy H 1 2.046 0.073 A 56 LYS HBx H 1 1.807 0.071 A 56 LYS HDx H 1 1.752 0.04 A 56 LYS HDy H 1 1.755 0.04 A 56 LYS HEy H 1 2.958 0.044 A 56 LYS HEx H 1 2.882 0.04 A 56 LYS HGx H 1 1.217 0.014 A 56 LYS HGy H 1 1.220 0.009 A 56 LYS C C 13 178.604 0.5 A 56 LYS CA C 13 58.818 0.146 A 56 LYS CB C 13 32.617 0.060 A 56 LYS CG C 13 25.954 0.095 A 56 LYS N N 15 117.726 0.014 A 57 LYS H H 1 7.074 0.003 A 57 LYS HA H 1 4.105 0.012 A 57 LYS HBy H 1 1.947 0.008 A 57 LYS HBx H 1 1.608 0.006 A 57 LYS HDy H 1 1.629 0.001 A 57 LYS HDx H 1 1.622 0.008 A 57 LYS HEy H 1 2.711 0.005 A 57 LYS HEx H 1 2.469 0.009 A 57 LYS HGy H 1 1.370 0.014 A 57 LYS HGx H 1 1.199 0.021 A 57 LYS C C 13 177.056 0.5 A 57 LYS CA C 13 57.194 0.065 A 57 LYS CB C 13 33.433 0.089 A 57 LYS CE C 13 42.385 0.031 A 57 LYS CG C 13 26.420 0.127 A 57 LYS N N 15 115.562 0.037 A 58 LYS H H 1 7.282 0.004 A 58 LYS HA H 1 4.045 0.019 A 58 LYS HBy H 1 1.852 0.010 A 58 LYS HBx H 1 1.851 0.010 A 58 LYS HE2 H 1 2.749 0.04 A 58 LYS HE3 H 1 2.749 0.04 A 58 LYS HGx H 1 1.470 0.04 A 58 LYS HGy H 1 1.484 0.014 A 58 LYS CA C 13 58.504 0.106 A 58 LYS CB C 13 32.616 0.071 A 58 LYS N N 15 121.522 0.021 A 59 GLY HAy H 1 4.089 0.004 A 59 GLY HAx H 1 3.822 0.003 A 59 GLY C C 13 175.171 0.5 A 59 GLY CA C 13 46.422 0.019 A 60 ARG H H 1 7.778 0.007 A 60 ARG HA H 1 4.394 0.009 A 60 ARG HBx H 1 1.875 0.015 A 60 ARG HBy H 1 1.882 0.016 A 60 ARG HDy H 1 3.202 0.010 A 60 ARG HDx H 1 3.084 0.018 A 60 ARG HGy H 1 1.563 0.016 A 60 ARG HGx H 1 1.562 0.013 A 60 ARG C C 13 176.251 0.5 A 60 ARG CA C 13 56.232 0.062 A 60 ARG CB C 13 30.945 0.172 A 60 ARG CD C 13 44.082 0.036 A 60 ARG CG C 13 27.893 0.039 A 60 ARG N N 15 118.790 0.062 A 61 ALA H H 1 8.207 0.019 A 61 ALA HA H 1 4.378 0.005 A 61 ALA HB% H 1 1.419 0.014 A 61 ALA CA C 13 53.377 0.019 A 61 ALA CB C 13 19.101 0.106 A 61 ALA N N 15 123.928 0.001 A 62 ALA H H 1 8.025 0.004 A 62 ALA HA H 1 4.112 0.006 A 62 ALA HB% H 1 1.136 0.010 A 62 ALA CA C 13 53.294 0.042 A 62 ALA CB C 13 19.529 0.112 A 62 ALA N N 15 124.384 0.019 A 63 ALA H H 1 8.025 0.004 A 63 ALA HA H 1 4.317 0.008 A 63 ALA HB% H 1 1.151 0.008 A 63 ALA CA C 13 52.766 0.097 A 63 ALA CB C 13 19.918 0.073 A 63 ALA N N 15 124.382 0.030 A 64 ASN H H 1 8.319 0.020 A 64 ASN HA H 1 4.831 0.015 A 64 ASN HBy H 1 2.919 0.006 A 64 ASN HBx H 1 2.742 0.008 A 64 ASN HD21 H 1 7.673 0.011 A 64 ASN HD22 H 1 6.948 0.010 A 64 ASN C C 13 175.615 0.5 A 64 ASN CA C 13 52.873 0.082 A 64 ASN CB C 13 39.337 0.059 A 64 ASN CG C 13 178.388 0.5 A 64 ASN N N 15 123.092 0.030 A 64 ASN ND2 N 15 112.673 0.176 A 65 GLY H H 1 7.861 0.004 A 65 GLY HAy H 1 4.306 0.006 A 65 GLY HAx H 1 3.784 0.008 A 65 GLY C C 13 173.685 0.5 A 65 GLY CA C 13 45.197 0.089 A 65 GLY N N 15 107.126 0.025 A 66 TYR H H 1 9.395 0.002 A 66 TYR HA H 1 4.648 0.017 A 66 TYR HBy H 1 3.326 0.006 A 66 TYR HBx H 1 2.844 0.008 A 66 TYR HDx H 1 6.871 0.013 A 66 TYR HDy H 1 6.871 0.013 A 66 TYR HEx H 1 6.634 0.019 A 66 TYR HEy H 1 6.634 0.019 A 66 TYR HH H 1 9.375 0.04 A 66 TYR C C 13 176.110 0.5 A 66 TYR CA C 13 57.709 0.081 A 66 TYR CB C 13 39.810 0.152 A 66 TYR CDx C 13 132.872 0.043 A 66 TYR CDy C 13 132.872 0.043 A 66 TYR CEx C 13 118.909 0.177 A 66 TYR CEy C 13 118.909 0.177 A 66 TYR N N 15 120.797 0.006 A 67 ASP H H 1 8.254 0.003 A 67 ASP HA H 1 5.047 0.007 A 67 ASP HBy H 1 3.440 0.007 A 67 ASP HBx H 1 2.749 0.010 A 67 ASP C C 13 175.020 0.5 A 67 ASP CA C 13 53.031 0.160 A 67 ASP CB C 13 41.132 0.085 A 67 ASP N N 15 123.101 0.032 A 68 ARG H H 1 8.552 0.007 A 68 ARG HA H 1 3.080 0.007 A 68 ARG HBy H 1 1.379 0.006 A 68 ARG HBx H 1 1.182 0.005 A 68 ARG HDx H 1 2.882 0.008 A 68 ARG HDy H 1 2.883 0.007 A 68 ARG HGx H 1 0.780 0.007 A 68 ARG HGy H 1 0.781 0.007 A 68 ARG C C 13 179.157 0.5 A 68 ARG CA C 13 61.655 0.037 A 68 ARG CB C 13 30.201 0.027 A 68 ARG CD C 13 43.889 0.158 A 68 ARG CG C 13 28.212 0.121 A 68 ARG N N 15 118.741 0.062 A 69 SER H H 1 8.019 0.004 A 69 SER HA H 1 3.935 0.015 A 69 SER HBx H 1 4.226 0.016 A 69 SER HBy H 1 4.226 0.015 A 69 SER C C 13 177.576 0.5 A 69 SER CA C 13 62.068 0.5 A 69 SER CB C 13 62.798 0.229 A 69 SER N N 15 114.109 0.146 A 70 ALA H H 1 8.612 0.005 A 70 ALA HA H 1 4.269 0.009 A 70 ALA HB% H 1 1.660 0.005 A 70 ALA C C 13 181.235 0.5 A 70 ALA CA C 13 55.197 0.081 A 70 ALA CB C 13 19.665 0.055 A 70 ALA N N 15 126.351 0.048 A 71 PHE H H 1 9.379 0.002 A 71 PHE HA H 1 4.045 0.008 A 71 PHE HBy H 1 3.444 0.005 A 71 PHE HBx H 1 3.196 0.005 A 71 PHE HDx H 1 7.011 0.011 A 71 PHE HDy H 1 7.011 0.011 A 71 PHE HEx H 1 7.181 0.04 A 71 PHE HEy H 1 7.181 0.04 A 71 PHE HZ H 1 7.117 0.002 A 71 PHE C C 13 176.697 0.5 A 71 PHE CA C 13 63.049 0.082 A 71 PHE CB C 13 41.455 0.048 A 71 PHE CDx C 13 131.039 0.5 A 71 PHE CDy C 13 131.039 0.5 A 71 PHE CEx C 13 131.005 0.5 A 71 PHE CEy C 13 131.005 0.5 A 71 PHE CZ C 13 130.355 0.185 A 71 PHE N N 15 120.828 0.007 A 72 PHE H H 1 8.791 0.003 A 72 PHE HA H 1 3.835 0.004 A 72 PHE HBy H 1 3.332 0.007 A 72 PHE HBx H 1 3.178 0.008 A 72 PHE HDx H 1 7.195 0.04 A 72 PHE HDy H 1 7.195 0.04 A 72 PHE HEx H 1 7.357 0.020 A 72 PHE HEy H 1 7.357 0.020 A 72 PHE C C 13 177.882 0.5 A 72 PHE CA C 13 62.908 0.071 A 72 PHE CB C 13 39.404 0.055 A 72 PHE CDx C 13 131.008 0.5 A 72 PHE CDy C 13 131.008 0.5 A 72 PHE CEx C 13 132.181 0.195 A 72 PHE CEy C 13 132.181 0.195 A 72 PHE N N 15 118.763 0.025 A 73 SER H H 1 8.243 0.003 A 73 SER HA H 1 4.097 0.014 A 73 SER HBy H 1 4.061 0.016 A 73 SER HBx H 1 3.973 0.024 A 73 SER C C 13 176.930 0.5 A 73 SER CA C 13 61.838 0.071 A 73 SER CB C 13 63.364 0.151 A 73 SER N N 15 112.207 0.024 A 74 LEU H H 1 7.714 0.004 A 74 LEU HA H 1 3.973 0.013 A 74 LEU HBy H 1 1.713 0.007 A 74 LEU HBx H 1 1.517 0.011 A 74 LEU HDx% H 1 0.695 0.008 A 74 LEU HDy% H 1 0.282 0.010 A 74 LEU HG H 1 0.788 0.003 A 74 LEU C C 13 179.880 0.5 A 74 LEU CA C 13 59.038 0.049 A 74 LEU CB C 13 42.407 0.042 A 74 LEU CDx C 13 24.417 0.024 A 74 LEU CDy C 13 26.432 0.101 A 74 LEU CG C 13 27.934 0.173 A 74 LEU N N 15 121.441 0.026 A 75 VAL H H 1 7.883 0.009 A 75 VAL HA H 1 3.159 0.005 A 75 VAL HB H 1 1.668 0.007 A 75 VAL HGx% H 1 0.613 0.011 A 75 VAL HGy% H 1 0.203 0.002 A 75 VAL C C 13 175.756 0.5 A 75 VAL CA C 13 66.347 0.022 A 75 VAL CB C 13 31.785 0.084 A 75 VAL CGx C 13 22.597 0.044 A 75 VAL CGy C 13 23.170 0.016 A 75 VAL N N 15 119.795 0.035 A 76 ALA H H 1 8.010 0.005 A 76 ALA HA H 1 3.958 0.009 A 76 ALA HB% H 1 1.258 0.006 A 76 ALA C C 13 177.328 0.5 A 76 ALA CA C 13 53.152 0.022 A 76 ALA CB C 13 18.939 0.041 A 76 ALA N N 15 114.161 0.112 A 77 SER H H 1 7.751 0.004 A 77 SER HA H 1 4.442 0.004 A 77 SER HBx H 1 4.220 0.014 A 77 SER HBy H 1 4.229 0.04 A 77 SER C C 13 175.203 0.5 A 77 SER CA C 13 60.574 0.074 A 77 SER CB C 13 65.307 0.155 A 77 SER N N 15 112.097 0.034 A 78 ASP H H 1 7.613 0.004 A 78 ASP HBy H 1 2.766 0.006 A 78 ASP HBx H 1 2.589 0.008 A 78 ASP C C 13 176.203 0.5 A 78 ASP CA C 13 55.587 0.5 A 78 ASP CB C 13 46.578 0.026 A 78 ASP N N 15 121.224 0.036 A 79 GLU H H 1 9.362 0.001 A 79 GLU HA H 1 3.999 0.006 A 79 GLU HBy H 1 2.159 0.023 A 79 GLU HBx H 1 2.156 0.024 A 79 GLU HGy H 1 2.380 0.009 A 79 GLU HGx H 1 2.379 0.008 A 79 GLU C C 13 178.050 0.5 A 79 GLU CA C 13 59.969 0.111 A 79 GLU CB C 13 30.085 0.099 A 79 GLU CG C 13 34.767 0.179 A 79 GLU N N 15 128.933 0.025 A 80 GLN H H 1 9.871 0.002 A 80 GLN HA H 1 3.989 0.018 A 80 GLN HBy H 1 1.606 0.019 A 80 GLN HBx H 1 1.293 0.014 A 80 GLN HE21 H 1 7.259 0.006 A 80 GLN HE22 H 1 6.804 0.011 A 80 GLN HGx H 1 1.965 0.04 A 80 GLN HGy H 1 2.048 0.005 A 80 GLN C C 13 180.677 0.5 A 80 GLN CA C 13 59.165 0.139 A 80 GLN CB C 13 28.013 0.188 A 80 GLN CD C 13 180.705 0.5 A 80 GLN N N 15 118.964 0.046 A 80 GLN NE2 N 15 111.256 0.115 A 81 TYR H H 1 7.644 0.004 A 81 TYR HA H 1 4.296 0.009 A 81 TYR HBy H 1 4.107 0.007 A 81 TYR HBx H 1 2.885 0.016 A 81 TYR HDx H 1 7.134 0.022 A 81 TYR HDy H 1 7.134 0.022 A 81 TYR HEx H 1 6.724 0.006 A 81 TYR HEy H 1 6.724 0.006 A 81 TYR C C 13 178.676 0.5 A 81 TYR CA C 13 61.380 0.151 A 81 TYR CB C 13 39.100 0.054 A 81 TYR CDx C 13 132.756 0.162 A 81 TYR CDy C 13 132.756 0.162 A 81 TYR CEx C 13 118.936 0.104 A 81 TYR CEy C 13 118.936 0.104 A 81 TYR N N 15 116.429 0.028 A 82 VAL H H 1 7.020 0.002 A 82 VAL HA H 1 3.274 0.005 A 82 VAL HB H 1 2.255 0.005 A 82 VAL HGx% H 1 0.964 0.005 A 82 VAL HGy% H 1 0.964 0.005 A 82 VAL C C 13 178.603 0.5 A 82 VAL CA C 13 67.824 0.053 A 82 VAL CB C 13 32.411 0.138 A 82 VAL CGx C 13 22.426 0.073 A 82 VAL CGy C 13 22.450 0.071 A 82 VAL N N 15 119.453 0.022 A 83 ARG H H 1 8.437 0.006 A 83 ARG HA H 1 4.098 0.010 A 83 ARG HBy H 1 1.879 0.015 A 83 ARG HBx H 1 1.876 0.015 A 83 ARG HDx H 1 3.210 0.012 A 83 ARG HDy H 1 3.214 0.017 A 83 ARG HGy H 1 1.683 0.009 A 83 ARG HGx H 1 1.681 0.005 A 83 ARG C C 13 179.306 0.5 A 83 ARG CA C 13 59.584 0.164 A 83 ARG CB C 13 30.913 0.081 A 83 ARG CD C 13 44.103 0.078 A 83 ARG CG C 13 28.207 0.061 A 83 ARG N N 15 118.824 0.021 A 84 PHE H H 1 7.950 0.006 A 84 PHE HA H 1 4.413 0.014 A 84 PHE HB2 H 1 3.331 0.006 A 84 PHE HB3 H 1 3.331 0.006 A 84 PHE HDx H 1 7.224 0.019 A 84 PHE HDy H 1 7.224 0.019 A 84 PHE HEx H 1 7.363 0.04 A 84 PHE HEy H 1 7.363 0.04 A 84 PHE C C 13 179.027 0.5 A 84 PHE CA C 13 62.475 0.131 A 84 PHE CB C 13 40.117 0.164 A 84 PHE CDx C 13 131.010 0.5 A 84 PHE CDy C 13 131.010 0.5 A 84 PHE CEx C 13 131.953 0.5 A 84 PHE CEy C 13 131.953 0.5 A 84 PHE N N 15 120.494 0.111 A 85 ILE H H 1 8.602 0.012 A 85 ILE HA H 1 3.948 0.004 A 85 ILE HB H 1 2.164 0.016 A 85 ILE HD1% H 1 0.977 0.007 A 85 ILE HG12 H 1 1.522 0.003 A 85 ILE HG13 H 1 1.523 0.002 A 85 ILE HG2% H 1 0.966 0.006 A 85 ILE C C 13 178.118 0.5 A 85 ILE CA C 13 65.689 0.049 A 85 ILE CB C 13 37.861 0.200 A 85 ILE CD1 C 13 14.847 0.060 A 85 ILE CG1 C 13 31.442 0.069 A 85 ILE CG2 C 13 18.964 0.122 A 85 ILE N N 15 121.156 0.041 A 86 ALA H H 1 8.685 0.004 A 86 ALA HA H 1 4.092 0.006 A 86 ALA HB% H 1 1.529 0.005 A 86 ALA C C 13 179.775 0.5 A 86 ALA CA C 13 55.450 0.048 A 86 ALA CB C 13 18.627 0.063 A 86 ALA N N 15 121.569 0.035 A 87 GLN H H 1 7.497 0.009 A 87 GLN HA H 1 4.007 0.013 A 87 GLN HBy H 1 1.689 0.008 A 87 GLN HBx H 1 1.684 0.016 A 87 GLN HGx H 1 2.266 0.008 A 87 GLN HGy H 1 2.267 0.005 A 87 GLN C C 13 177.454 0.5 A 87 GLN CA C 13 57.447 0.100 A 87 GLN CB C 13 29.474 0.039 A 87 GLN CG C 13 34.332 0.107 A 87 GLN N N 15 113.680 0.125 A 88 HIS H H 1 7.352 0.003 A 88 HIS HA H 1 4.267 0.004 A 88 HIS HBy H 1 2.415 0.007 A 88 HIS HBx H 1 2.124 0.017 A 88 HIS HD2 H 1 6.282 0.014 A 88 HIS C C 13 174.428 0.5 A 88 HIS CA C 13 58.226 0.071 A 88 HIS CB C 13 32.581 0.059 A 88 HIS CD2 C 13 122.265 0.049 A 88 HIS N N 15 114.365 0.028 A 89 PHE H H 1 8.261 0.004 A 89 PHE HA H 1 5.019 0.007 A 89 PHE HBy H 1 3.005 0.008 A 89 PHE HBx H 1 2.947 0.037 A 89 PHE HDx H 1 7.489 0.010 A 89 PHE HDy H 1 7.489 0.010 A 89 PHE HEx H 1 7.322 0.019 A 89 PHE HEy H 1 7.322 0.019 A 89 PHE CA C 13 56.547 0.096 A 89 PHE CB C 13 40.386 0.134 A 89 PHE CDx C 13 133.047 0.081 A 89 PHE CDy C 13 133.047 0.081 A 89 PHE CEx C 13 132.098 0.5 A 89 PHE CEy C 13 132.098 0.5 A 89 PHE N N 15 118.225 0.078 A 90 PRO HA H 1 4.612 0.012 A 90 PRO HBx H 1 2.314 0.012 A 90 PRO HBy H 1 2.315 0.011 A 90 PRO HDy H 1 3.816 0.021 A 90 PRO HDx H 1 3.648 0.017 A 90 PRO HGy H 1 2.041 0.005 A 90 PRO HGx H 1 2.040 0.006 A 90 PRO C C 13 177.404 0.5 A 90 PRO CA C 13 62.832 0.061 A 90 PRO CB C 13 32.774 0.068 A 90 PRO CD C 13 51.235 0.051 A 90 PRO CG C 13 28.152 0.115 A 91 CYS H H 1 8.668 0.002 A 91 CYS HA H 1 3.938 0.020 A 91 CYS HBy H 1 2.964 0.011 A 91 CYS HBx H 1 2.813 0.007 A 91 CYS C C 13 174.732 0.5 A 91 CYS CA C 13 60.066 0.155 A 91 CYS CB C 13 28.612 0.067 A 91 CYS N N 15 117.408 0.019 A 92 ALA H H 1 7.941 0.002 A 92 ALA HA H 1 4.584 0.010 A 92 ALA HB% H 1 1.420 0.013 A 92 ALA CA C 13 51.218 0.098 A 92 ALA CB C 13 18.776 0.133 A 92 ALA N N 15 127.443 0.013 A 93 PRO HA H 1 4.433 0.005 A 93 PRO HBy H 1 2.316 0.007 A 93 PRO HBx H 1 1.917 0.014 A 93 PRO HDy H 1 3.826 0.007 A 93 PRO HDx H 1 3.657 0.008 A 93 PRO HGy H 1 2.040 0.003 A 93 PRO HGx H 1 2.039 0.004 A 93 PRO C C 13 177.413 0.5 A 93 PRO CA C 13 63.575 0.051 A 93 PRO CB C 13 32.487 0.163 A 93 PRO CD C 13 51.205 0.028 A 93 PRO CG C 13 28.032 0.050 A 94 GLU H H 1 8.597 0.007 A 94 GLU HA H 1 4.259 0.015 A 94 GLU HBy H 1 2.121 0.013 A 94 GLU HBx H 1 1.927 0.010 A 94 GLU HGx H 1 2.273 0.007 A 94 GLU HGy H 1 2.280 0.017 A 94 GLU C C 13 177.089 0.5 A 94 GLU CA C 13 56.990 0.156 A 94 GLU CB C 13 30.579 0.073 A 94 GLU CG C 13 37.068 0.071 A 94 GLU N N 15 121.191 0.041 A 95 GLU H H 1 8.479 0.014 A 95 GLU HA H 1 4.274 0.011 A 95 GLU HBy H 1 2.048 0.006 A 95 GLU HBx H 1 1.929 0.012 A 95 GLU HGy H 1 2.274 0.007 A 95 GLU HGx H 1 2.272 0.005 A 95 GLU C C 13 176.726 0.5 A 95 GLU CA C 13 57.086 0.093 A 95 GLU CB C 13 31.119 0.085 A 95 GLU CG C 13 37.074 0.111 A 95 GLU N N 15 122.064 0.092 A 96 GLU H H 1 8.467 0.011 A 96 GLU HA H 1 4.278 0.008 A 96 GLU HBy H 1 2.056 0.018 A 96 GLU HBx H 1 1.921 0.007 A 96 GLU HGx H 1 2.272 0.009 A 96 GLU HGy H 1 2.274 0.007 A 96 GLU C C 13 177.123 0.5 A 96 GLU CA C 13 57.061 0.104 A 96 GLU CB C 13 30.202 0.124 A 96 GLU CG C 13 37.107 0.134 A 96 GLU N N 15 122.691 0.023 A 97 LYS H H 1 8.164 0.018 A 97 LYS HA H 1 4.149 0.008 A 97 LYS HB2 H 1 1.861 0.005 A 97 LYS HB3 H 1 1.861 0.005 A 97 LYS HD2 H 1 1.458 0.004 A 97 LYS HD3 H 1 1.458 0.004 A 97 LYS HG2 H 1 1.203 0.005 A 97 LYS HG3 H 1 1.203 0.005 A 97 LYS CA C 13 60.971 0.5 A 97 LYS CB C 13 39.562 0.030 A 97 LYS CD C 13 27.856 0.085 A 97 LYS CG C 13 27.784 0.141 A 97 LYS N N 15 121.659 0.013 A 99 PRO HA H 1 4.427 0.009 A 99 PRO HBy H 1 2.312 0.011 A 99 PRO HBx H 1 1.904 0.011 A 99 PRO HDy H 1 3.825 0.008 A 99 PRO HDx H 1 3.656 0.009 A 99 PRO HGx H 1 2.039 0.005 A 99 PRO HGy H 1 2.040 0.004 A 99 PRO C C 13 177.418 0.5 A 99 PRO CA C 13 63.383 0.114 A 99 PRO CB C 13 32.487 0.179 A 99 PRO CD C 13 51.195 0.015 A 99 PRO CG C 13 27.986 0.054 A 100 GLU H H 1 8.539 0.003 A 100 GLU HA H 1 4.273 0.009 A 100 GLU HBy H 1 2.051 0.010 A 100 GLU HBx H 1 1.928 0.009 A 100 GLU HGy H 1 2.275 0.009 A 100 GLU HGx H 1 2.274 0.008 A 100 GLU C C 13 177.118 0.5 A 100 GLU CA C 13 56.489 0.081 A 100 GLU CB C 13 30.880 0.140 A 100 GLU CG C 13 36.917 0.063 A 100 GLU N N 15 121.164 0.044 A 101 ILE H H 1 8.158 0.003 A 101 ILE HA H 1 4.157 0.018 A 101 ILE HB H 1 1.861 0.006 A 101 ILE HD1% H 1 0.860 0.016 A 101 ILE HG1y H 1 1.455 0.003 A 101 ILE HG1x H 1 1.188 0.026 A 101 ILE HG2% H 1 0.902 0.015 A 101 ILE C C 13 176.514 0.5 A 101 ILE CA C 13 61.718 0.158 A 101 ILE CB C 13 39.379 0.144 A 101 ILE CD1 C 13 13.608 0.115 A 101 ILE CG1 C 13 27.805 0.095 A 101 ILE CG2 C 13 18.253 0.076 A 101 ILE N N 15 121.658 0.012 A 102 ASP H H 1 8.396 0.003 A 102 ASP HA H 1 4.573 0.012 A 102 ASP HBy H 1 2.700 0.014 A 102 ASP HBx H 1 2.610 0.014 A 102 ASP C C 13 176.541 0.5 A 102 ASP CA C 13 55.221 0.125 A 102 ASP CB C 13 41.896 0.143 A 102 ASP N N 15 124.346 0.050 A 103 ALA H H 1 8.209 0.007 A 103 ALA HA H 1 4.255 0.014 A 103 ALA HB% H 1 1.406 0.009 A 103 ALA C C 13 178.299 0.5 A 103 ALA CA C 13 53.704 0.169 A 103 ALA CB C 13 19.582 0.049 A 103 ALA N N 15 124.595 0.122 A 104 LEU H H 1 8.207 0.005 A 104 LEU HA H 1 4.281 0.021 A 104 LEU HBx H 1 1.680 0.020 A 104 LEU HBy H 1 1.682 0.017 A 104 LEU HDx% H 1 0.928 0.013 A 104 LEU HDy% H 1 0.882 0.012 A 104 LEU HG H 1 1.627 0.015 A 104 LEU C C 13 177.933 0.5 A 104 LEU CA C 13 55.885 0.027 A 104 LEU CB C 13 42.834 0.116 A 104 LEU CDy C 13 25.493 0.151 A 104 LEU CDx C 13 24.259 0.065 A 104 LEU CG C 13 27.753 0.075 A 104 LEU N N 15 120.389 0.040 A 105 GLU H H 1 8.238 0.012 A 105 GLU HA H 1 4.255 0.012 A 105 GLU HBy H 1 2.037 0.015 A 105 GLU HBx H 1 1.933 0.006 A 105 GLU HGx H 1 2.268 0.008 A 105 GLU HGy H 1 2.270 0.006 A 105 GLU C C 13 176.511 0.5 A 105 GLU CA C 13 56.688 0.065 A 105 GLU CB C 13 30.598 0.119 A 105 GLU CG C 13 37.129 0.174 A 105 GLU N N 15 120.807 0.074 A 106 LEU H H 1 8.197 0.014 A 106 LEU HA H 1 4.300 0.008 A 106 LEU HB2 H 1 1.642 0.014 A 106 LEU HB3 H 1 1.643 0.014 A 106 LEU HDx% H 1 0.932 0.004 A 106 LEU HDy% H 1 0.870 0.015 A 106 LEU HG H 1 1.604 0.025 A 106 LEU C C 13 177.946 0.5 A 106 LEU CA C 13 55.780 0.091 A 106 LEU CB C 13 42.404 0.110 A 106 LEU CDy C 13 25.585 0.061 A 106 LEU CDx C 13 24.267 0.058 A 106 LEU CG C 13 27.883 0.130 A 106 LEU N N 15 124.025 0.013 A 107 LYS H H 1 8.243 0.007 A 107 LYS HA H 1 4.279 0.007 A 107 LYS HB2 H 1 2.215 0.014 A 107 LYS HB3 H 1 2.215 0.014 A 107 LYS HG2 H 1 1.984 0.04 A 107 LYS HG3 H 1 1.984 0.04 A 107 LYS CA C 13 56.923 0.111 A 107 LYS CB C 13 30.423 0.068 A 107 LYS N N 15 121.383 0.087 A 108 THR C C 13 176.242 0.5 A 109 GLN H H 1 8.463 0.009 A 109 GLN HA H 1 4.271 0.006 A 109 GLN HBx H 1 1.959 0.019 A 109 GLN HBy H 1 1.962 0.009 A 109 GLN HGx H 1 2.258 0.04 A 109 GLN HGy H 1 2.269 0.016 A 109 GLN C C 13 176.511 0.5 A 109 GLN CA C 13 56.946 0.221 A 109 GLN CB C 13 30.609 0.081 A 109 GLN N N 15 122.699 0.027 A 110 LYS H H 1 8.407 0.006 A 110 LYS HA H 1 4.662 0.026 A 110 LYS HB2 H 1 1.726 0.004 A 110 LYS HB3 H 1 1.726 0.004 A 110 LYS HEy H 1 2.661 0.04 A 110 LYS HEx H 1 2.640 0.009 A 110 LYS HGx H 1 1.465 0.04 A 110 LYS HGy H 1 1.465 0.04 A 110 LYS CA C 13 54.472 0.200 A 110 LYS CB C 13 33.182 0.074 A 110 LYS N N 15 124.362 0.045 A 111 GLY HAy H 1 3.867 0.008 A 111 GLY HAx H 1 3.862 0.007 A 111 GLY CA C 13 45.640 0.104 A 112 PHE H H 1 7.631 0.006 A 112 PHE HA H 1 4.451 0.007 A 112 PHE HBy H 1 3.174 0.014 A 112 PHE HBx H 1 2.969 0.010 A 112 PHE HDx H 1 7.312 0.04 A 112 PHE HDy H 1 7.312 0.04 A 112 PHE HEx H 1 7.099 0.015 A 112 PHE HEy H 1 7.099 0.015 A 112 PHE CA C 13 59.397 0.107 A 112 PHE CB C 13 40.564 0.141 A 112 PHE CDx C 13 132.030 0.5 A 112 PHE CDy C 13 132.030 0.5 A 112 PHE CEx C 13 130.297 0.123 A 112 PHE CEy C 13 130.297 0.123 A 112 PHE N N 15 124.506 0.034 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type undefined 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 55 GLU HGx A 55 GLU HGy 1.0 1.074 1.482 2 2 A 51 GLU HGx A 51 GLU HGy 1.0 1.138 1.610 3 3 A 102 ASP HBx A 102 ASP HBy 1.0 1.151 1.637 4 4 A 26 ALA HB% A 32 VAL HGy% 1.0 1.332 2.046 5 5 A 41 ILE HG2% A 41 ILE HD1% 1.0 1.441 2.329 6 6 A 112 PHE HBx A 112 PHE HBy 1.0 1.337 2.057 7 7 A 101 ILE HG1y A 101 ILE HG1x 1.0 1.266 1.886 8 8 A 26 ALA HB% A 32 VAL HGx% 1.0 1.414 2.254 9 9 A 37 ILE HG2% A 37 ILE HD1% 1.0 1.599 2.821 10 10 A 19 LYS HEy A 19 LYS HD3 1.0 1.440 2.328 11 11 A 85 ILE HD1% A 18 ILE HG2% 1.0 1.467 2.403 12 12 A 57 LYS HA A 57 LYS HBx 1.0 1.463 2.389 13 13 A 37 ILE HG1y A 37 ILE HG1x 1.0 1.313 1.999 14 14 A 53 LEU HBx A 53 LEU HBy 1.0 1.386 2.182 15 15 A 48 LEU HBx A 48 LEU HBy 1.0 1.400 2.218 16 16 A 80 GLN HBy A 80 GLN HBx 1.0 1.375 2.153 17 17 A 35 ALA HA A 35 ALA HB% 1.0 1.569 2.717 18 18 A 37 ILE HG2% A 37 ILE HB 1.0 1.472 2.418 19 19 A 9 LYS HGy A 9 LYS HEy 1.0 1.481 2.445 20 20 A 18 ILE HG1y A 18 ILE HD1% 1.0 1.470 2.410 21 21 A 10 ILE HG2% A 10 ILE HD1% 1.0 1.531 2.597 22 22 A 28 GLY HAy A 28 GLY HAx 1.0 1.432 2.304 23 23 A 68 ARG HBy A 68 ARG HBx 1.0 1.419 2.267 24 24 A 41 ILE HG2% A 41 ILE HB 1.0 1.516 2.548 25 25 A 59 GLY HAy A 59 GLY HAx 1.0 1.500 2.500 26 26 A 31 LYS HDx A 31 LYS HGy 1.0 1.552 2.664 27 27 A 41 ILE HD1% A 74 LEU HDy% 1.0 1.474 2.422 28 28 A 40 LEU HDy% A 75 VAL HGy% 1.0 1.484 2.452 29 29 A 74 LEU HDy% A 74 LEU HDx% 1.0 1.517 2.553 30 30 A 26 ALA HB% A 26 ALA HA 1.0 1.581 2.755 31 31 A 82 VAL HGx% A 75 VAL HGx% 1.0 1.536 2.608 32 32 A 92 ALA HA A 93 PRO HDy 1.0 1.567 2.709 33 33 A 83 ARG HA A 86 ALA HB% 1.0 1.552 2.660 34 34 A 37 ILE HD1% A 71 PHE HDx 1.0 1.726 3.314 35 35 A 92 ALA HA A 93 PRO HDx 1.0 1.645 2.985 36 36 A 40 LEU HDy% A 40 LEU HDx% 1.0 1.546 2.642 37 37 A 83 ARG HDy A 83 ARG HBx 1.0 1.635 2.949 38 38 A 41 ILE HD1% A 40 LEU HDy% 1.0 1.602 2.830 39 39 A 65 GLY HAy A 65 GLY HAx 1.0 1.516 2.548 40 40 A 23 LEU HG A 23 LEU HDy% 1.0 1.553 2.663 41 41 A 19 LYS HGy A 19 LYS HBy 1.0 1.682 3.128 42 42 A 50 TRP HBx A 50 TRP HBy 1.0 1.531 2.597 43 43 A 8 VAL HB A 8 VAL HGx% 1.0 1.593 2.799 44 44 A 18 ILE HG2% A 71 PHE HZ 1.0 1.700 3.202 45 45 A 23 LEU HDy% A 23 LEU HBx 1.0 1.632 2.934 46 46 A 68 ARG HDy A 68 ARG HGy 1.0 1.574 2.734 47 47 A 85 ILE HD1% A 36 MET HE% 1.0 1.747 3.405 48 48 A 32 VAL HGx% A 37 ILE HG1x 1.0 1.558 2.682 49 49 A 18 ILE HD1% A 18 ILE HG1x 1.0 1.590 2.786 50 50 A 39 GLN HGy A 39 GLN HBy 1.0 1.672 3.088 51 51 A 91 CYS HBx A 91 CYS HBy 1.0 1.437 2.317 52 52 A 82 VAL HGx% A 75 VAL HB 1.0 1.692 3.166 53 53 A 19 LYS HEy A 19 LYS HGy 1.0 1.572 2.730 54 54 A 85 ILE HD1% A 85 ILE HG13 1.0 1.641 2.969 55 55 A 44 ALA HA A 44 ALA HB% 1.0 1.676 3.104 56 56 A 93 PRO HA A 93 PRO HBx 1.0 1.695 3.181 57 57 A 41 ILE HD1% A 41 ILE HG1x 1.0 1.646 2.990 58 58 A 75 VAL HGx% A 75 VAL HB 1.0 1.613 2.867 59 59 A 10 ILE HG2% A 10 ILE HB 1.0 1.653 3.013 60 60 A 48 LEU HBx A 48 LEU HDy% 1.0 1.781 3.571 61 61 A 86 ALA HB% A 17 ARG HBy 1.0 1.804 3.694 62 62 A 40 LEU HDx% A 71 PHE HEx 1.0 1.819 3.777 63 63 A 23 LEU HG A 23 LEU HDx% 1.0 1.647 2.993 64 64 A 79 GLU HA A 79 GLU HGx 1.0 1.767 3.505 65 65 A 10 ILE HD1% A 10 ILE HG1x 1.0 1.611 2.859 66 66 A 18 ILE HA A 85 ILE HG2% 1.0 1.635 2.947 67 67 A 33 THR HB A 33 THR HG2% 1.0 1.659 3.037 68 68 A 40 LEU HA A 40 LEU HBx 1.0 1.680 3.118 69 69 A 31 LYS HEy A 67 ASP HBy 1.0 1.899 4.301 70 70 A 93 PRO HA A 93 PRO HGx 1.0 1.859 4.021 71 71 A 85 ILE HB A 85 ILE H 1.0 1.644 2.980 72 72 A 56 LYS HBx A 53 LEU HG 1.0 1.771 3.523 73 73 A 9 LYS HGy A 8 VAL HGy% 1.0 1.772 3.530 74 74 A 101 ILE HB A 101 ILE HG2% 1.0 1.667 3.069 75 75 A 92 ALA HA A 92 ALA HB% 1.0 1.696 3.188 76 76 A 8 VAL HGy% A 8 VAL HA 1.0 1.749 3.415 77 77 A 85 ILE HD1% A 75 VAL HGy% 1.0 1.714 3.262 78 78 A 41 ILE HG2% A 48 LEU HDx% 1.0 1.565 2.703 79 79 A 37 ILE HA A 66 TYR HBx 1.0 1.859 4.019 80 80 A 56 LYS HA A 56 LYS HBy 1.0 1.711 3.247 81 81 A 23 LEU HDy% A 23 LEU HA 1.0 1.727 3.321 82 82 A 71 PHE HBy A 71 PHE HBx 1.0 1.553 2.663 83 83 A 10 ILE HG2% A 15 THR H 1.0 1.766 3.494 84 84 A 27 GLN HA A 27 GLN HBy 1.0 1.776 3.550 85 85 A 10 ILE HD1% A 76 ALA HB% 1.0 1.731 3.337 86 86 A 23 LEU HA A 23 LEU H 1.0 1.733 3.343 87 87 A 75 VAL HGx% A 75 VAL HA 1.0 1.717 3.275 88 88 A 68 ARG HBy A 68 ARG HA 1.0 1.713 3.257 89 89 A 17 ARG HBy A 85 ILE HG2% 1.0 1.790 3.618 90 90 A 75 VAL HB A 75 VAL H 1.0 1.705 3.221 91 91 A 10 ILE HD1% A 76 ALA HA 1.0 1.688 3.152 92 92 A 15 THR HB A 15 THR HG2% 1.0 1.698 3.190 93 93 A 23 LEU HDx% A 23 LEU HBy 1.0 1.749 3.415 94 94 A 75 VAL HB A 76 ALA HB% 1.0 1.853 3.979 95 95 A 57 LYS HBx A 57 LYS HBy 1.0 1.541 2.625 96 96 A 20 THR HA A 20 THR HG2% 1.0 1.861 4.029 97 97 A 82 VAL HB A 82 VAL HGy% 1.0 1.649 3.003 98 98 A 23 LEU HDy% A 23 LEU HBy 1.0 1.885 4.193 99 99 A 60 ARG HA A 60 ARG HBy 1.0 1.767 3.503 100 100 A 68 ARG HBy A 68 ARG HGy 1.0 1.790 3.616 101 101 A 74 LEU HDx% A 74 LEU HA 1.0 1.748 3.412 102 102 A 99 PRO HA A 99 PRO HBy 1.0 1.744 3.392 103 103 A 23 LEU HDy% A 68 ARG HDy 1.0 1.846 3.934 104 104 A 53 LEU HBy A 53 LEU HDy% 1.0 1.683 3.131 105 105 A 12 HIS HBx A 13 GLU HBy 1.0 1.827 3.823 106 106 A 18 ILE HD1% A 10 ILE HG1y 1.0 1.918 4.466 107 107 A 39 GLN HBy A 39 GLN HA 1.0 1.817 3.759 108 108 A 80 GLN HBy A 80 GLN HA 1.0 1.702 3.212 109 109 A 69 SER HBy A 69 SER HA 1.0 1.752 3.434 110 110 A 53 LEU HG A 53 LEU HDy% 1.0 1.685 3.137 111 111 A 93 PRO HGx A 92 ALA HB% 1.0 1.843 3.915 112 112 A 41 ILE HA A 41 ILE HG1y 1.0 1.719 3.285 113 113 A 32 VAL HGy% A 26 ALA HA 1.0 1.880 4.160 114 114 A 18 ILE HG1x A 82 VAL HA 1.0 1.857 4.005 115 115 A 81 TYR HA A 81 TYR HBy 1.0 1.730 3.332 116 116 A 84 PHE HB3 A 84 PHE H 1.0 1.879 4.151 117 117 A 36 MET HE% A 36 MET HBy 1.0 1.681 3.123 118 118 A 72 PHE HBx A 72 PHE HA 1.0 1.853 3.977 119 119 A 62 ALA HA A 62 ALA HB% 1.0 1.754 3.440 120 120 A 105 GLU HBx A 106 LEU HB3 1.0 1.905 4.349 121 121 A 37 ILE HD1% A 66 TYR HBx 1.0 1.677 3.107 122 122 A 101 ILE HG1x A 101 ILE HD1% 1.0 1.697 3.189 123 123 A 106 LEU HB3 A 106 LEU HA 1.0 1.844 3.920 124 124 A 41 ILE HG1y A 53 LEU HDx% 1.0 1.921 4.483 125 125 A 48 LEU HBx A 48 LEU H 1.0 1.719 3.283 126 126 A 30 ASP HA A 30 ASP HBx 1.0 1.883 4.179 127 127 A 68 ARG HBx A 68 ARG HDy 1.0 1.708 3.234 128 128 A 79 GLU HA A 82 VAL HB 1.0 1.712 3.250 129 129 A 41 ILE HG1y A 41 ILE H 1.0 1.701 3.203 130 130 A 9 LYS HGy A 79 GLU HBx 1.0 1.604 2.834 131 131 A 83 ARG HA A 83 ARG HBx 1.0 1.731 3.335 132 132 A 51 GLU HA A 51 GLU HBx 1.0 1.769 3.511 133 133 A 53 LEU HBx A 53 LEU HG 1.0 1.719 3.285 134 134 A 8 VAL HB A 8 VAL H 1.0 1.770 3.516 135 135 A 18 ILE HA A 21 ALA HB% 1.0 1.805 3.699 136 136 A 71 PHE HA A 70 ALA HB% 1.0 1.882 4.178 137 137 A 48 LEU HDy% A 45 PHE HBx 1.0 1.788 3.608 138 138 A 53 LEU HBy A 48 LEU HBy 1.0 1.959 4.887 139 139 A 87 GLN HA A 87 GLN HBx 1.0 1.871 4.101 140 140 A 41 ILE HD1% A 56 LYS HBx 1.0 1.908 4.376 141 141 A 31 LYS HDx A 67 ASP HBy 1.0 1.721 3.289 142 142 A 56 LYS HBx A 56 LYS HGy 1.0 1.713 3.255 143 143 A 44 ALA HB% A 81 TYR HDx 1.0 1.897 4.287 144 144 A 68 ARG HGy A 68 ARG HA 1.0 1.833 3.855 145 145 A 57 LYS HEx A 61 ALA HB% 1.0 1.715 3.263 146 146 A 44 ALA HB% A 80 GLN HE21 1.0 1.677 3.109 147 147 A 51 GLU HA A 51 GLU HBy 1.0 1.794 3.636 148 148 A 30 ASP HBx A 31 LYS HGx 1.0 1.738 3.364 149 149 A 10 ILE HB A 10 ILE HG1y 1.0 1.718 3.278 150 150 A 75 VAL HA A 81 TYR HBy 1.0 1.789 3.617 151 151 A 20 THR HA A 21 ALA HA 1.0 1.914 4.424 152 152 A 7 MET HGx A 7 MET HBx 1.0 1.801 3.677 153 153 A 40 LEU HDx% A 84 PHE HB3 1.0 1.816 3.760 154 154 A 18 ILE HB A 18 ILE H 1.0 1.725 3.309 155 155 A 89 PHE HA A 90 PRO HDy 1.0 1.827 3.821 156 156 A 48 LEU HDx% A 45 PHE HBx 1.0 1.786 3.598 157 157 A 66 TYR HBx A 32 VAL HB 1.0 1.727 3.317 158 158 A 81 TYR HDx A 74 LEU HG 1.0 1.929 4.559 159 159 A 42 CYS HA A 42 CYS HB3 1.0 1.880 4.162 160 160 A 18 ILE HG2% A 21 ALA HB% 1.0 1.884 4.188 161 161 A 33 THR HG2% A 33 THR HA 1.0 1.823 3.795 162 162 A 88 HIS HA A 88 HIS HBy 1.0 1.841 3.899 163 163 A 20 THR HG2% A 20 THR H 1.0 1.799 3.667 164 164 A 23 LEU HDx% A 20 THR HA 1.0 1.834 3.862 165 165 A 41 ILE HG1x A 41 ILE H 1.0 1.957 4.873 166 166 A 33 THR HG2% A 27 GLN HGy 1.0 1.732 3.342 167 167 A 18 ILE HD1% A 75 VAL HGy% 1.0 1.886 4.204 168 168 A 23 LEU HA A 23 LEU HBy 1.0 1.875 4.123 169 169 A 109 GLN HA A 109 GLN HBy 1.0 1.836 3.874 170 170 A 15 THR HG2% A 15 THR HA 1.0 1.781 3.569 171 171 A 23 LEU HDy% A 22 PHE HDx 1.0 1.936 4.632 172 172 A 68 ARG HBy A 68 ARG HDy 1.0 1.781 3.571 173 173 A 86 ALA HB% A 82 VAL HGy% 1.0 1.852 3.970 174 174 A 93 PRO HDy A 93 PRO HBy 1.0 1.885 4.197 175 175 A 70 ALA HB% A 66 TYR HDx 1.0 1.906 4.364 176 176 A 7 MET HA A 7 MET HGy 1.0 1.844 3.922 177 177 A 31 LYS HGy A 31 LYS HA 1.0 1.723 3.299 178 178 A 10 ILE HB A 10 ILE HG1x 1.0 1.839 3.889 179 179 A 64 ASN HA A 64 ASN HBy 1.0 1.779 3.561 180 180 A 37 ILE HG1x A 61 ALA HB% 1.0 1.933 4.599 181 181 A 68 ARG HA A 22 PHE HZ 1.0 1.830 3.836 182 182 A 41 ILE HB A 41 ILE HG1y 1.0 1.791 3.621 183 183 A 83 ARG HGx A 83 ARG H 1.0 1.671 3.087 184 184 A 80 GLN HBy A 44 ALA HB% 1.0 1.951 4.801 185 185 A 18 ILE HG2% A 19 LYS HGy 1.0 1.883 4.183 186 186 A 36 MET HGx A 36 MET HBx 1.0 1.789 3.611 187 187 A 35 ALA HB% A 36 MET HBx 1.0 1.893 4.253 188 188 A 75 VAL HGx% A 18 ILE HG1x 1.0 1.968 5.008 189 189 A 87 GLN HBx A 87 GLN HGy 1.0 1.859 4.017 190 190 A 85 ILE HG2% A 17 ARG HDy 1.0 1.958 4.878 191 191 A 86 ALA HB% A 83 ARG HBx 1.0 1.939 4.659 192 192 A 75 VAL HGx% A 75 VAL H 1.0 1.885 4.197 193 193 A 36 MET HBy A 36 MET HGx 1.0 1.887 4.213 194 194 A 15 THR HG2% A 72 PHE HDx 1.0 1.926 4.526 195 195 A 89 PHE HA A 90 PRO HDx 1.0 1.773 3.531 196 196 A 37 ILE HG2% A 37 ILE HA 1.0 1.808 3.712 197 197 A 20 THR HG2% A 89 PHE HDx 1.0 1.915 4.435 198 198 A 60 ARG HBy A 60 ARG HDy 1.0 1.844 3.926 199 199 A 54 GLN HA A 54 GLN H 1.0 1.831 3.843 200 200 A 32 VAL HGy% A 25 TYR HBy 1.0 1.946 4.742 201 201 A 60 ARG HA A 60 ARG HGx 1.0 1.858 4.014 202 202 A 79 GLU HBx A 83 ARG HGx 1.0 1.924 4.520 203 203 A 20 THR HG2% A 20 THR HB 1.0 1.799 3.667 204 204 A 68 ARG HBx A 68 ARG H 1.0 1.763 3.485 205 205 A 74 LEU HDx% A 74 LEU HBy 1.0 1.865 4.057 206 206 A 51 GLU HGy A 51 GLU HA 1.0 1.811 3.727 207 207 A 48 LEU HDy% A 52 GLN HBy 1.0 1.912 4.414 208 208 A 36 MET HBx A 36 MET HGy 1.0 1.733 3.345 209 209 A 14 ASP HA A 14 ASP HBy 1.0 1.796 3.648 210 210 A 78 ASP HA A 78 ASP HBy 1.0 1.790 3.618 211 211 A 57 LYS HBx A 57 LYS HEx 1.0 1.792 3.628 212 212 A 9 LYS HEy A 9 LYS HB3 1.0 1.976 5.140 213 213 A 75 VAL HA A 81 TYR HDx 1.0 1.942 4.700 214 214 A 40 LEU HDy% A 39 GLN HE22 1.0 1.985 5.319 215 215 A 37 ILE HD1% A 32 VAL HB 1.0 1.791 3.623 216 216 A 75 VAL HA A 81 TYR HBx 1.0 1.734 3.350 217 217 A 18 ILE HD1% A 8 VAL HGx% 1.0 1.964 4.956 218 218 A 41 ILE HD1% A 57 LYS HGx 1.0 1.899 4.305 219 219 A 10 ILE HG1x A 14 ASP HBx 1.0 1.836 3.872 220 220 A 86 ALA HB% A 18 ILE HG1x 1.0 1.915 4.437 221 221 A 23 LEU HBx A 23 LEU H 1.0 1.961 4.929 222 222 A 18 ILE HD1% A 15 THR HA 1.0 1.807 3.707 223 223 A 85 ILE HD1% A 18 ILE HA 1.0 1.765 3.495 224 224 A 57 LYS HEx A 57 LYS HGy 1.0 1.804 3.690 225 225 A 56 LYS HA A 56 LYS HGy 1.0 1.799 3.667 226 226 A 70 ALA HB% A 66 TYR HBy 1.0 1.894 4.268 227 227 A 22 PHE HDx A 22 PHE HBx 1.0 1.917 4.453 228 228 A 18 ILE HG2% A 72 PHE HBy 1.0 1.899 4.299 229 229 A 75 VAL HGx% A 71 PHE HZ 1.0 1.863 4.045 230 230 A 40 LEU HA A 40 LEU HBy 1.0 1.903 4.337 231 231 A 12 HIS HBx A 12 HIS HA 1.0 1.927 4.545 232 232 A 85 ILE HD1% A 85 ILE HA 1.0 1.982 5.258 233 233 A 91 CYS HBy A 91 CYS HA 1.0 1.801 3.679 234 234 A 85 ILE HA A 87 GLN H 1.0 1.885 4.195 235 235 A 25 TYR HBy A 22 PHE HA 1.0 1.967 5.007 236 236 A 45 PHE HBx A 48 LEU HG 1.0 1.852 3.970 237 237 A 79 GLU HGx A 8 VAL HGy% 1.0 1.991 5.459 238 238 A 75 VAL HGx% A 82 VAL HA 1.0 1.768 3.508 239 239 A 85 ILE HB A 82 VAL HA 1.0 1.888 4.214 240 240 A 53 LEU HDx% A 38 ASP HA 1.0 1.871 4.099 241 241 A 40 LEU HDx% A 40 LEU HBy 1.0 1.943 4.701 242 242 A 68 ARG HDy A 68 ARG HA 1.0 1.996 5.652 243 243 A 36 MET HE% A 25 TYR HBy 1.0 1.867 4.075 244 244 A 50 TRP HBx A 50 TRP HA 1.0 1.838 3.888 245 245 A 8 VAL HGy% A 9 LYS HB3 1.0 1.933 4.599 246 246 A 53 LEU HBy A 53 LEU HDx% 1.0 1.892 4.250 247 247 A 37 ILE HA A 32 VAL HB 1.0 1.946 4.742 248 248 A 31 LYS HDx A 65 GLY HAy 1.0 1.907 4.365 249 249 A 51 GLU HGx A 51 GLU HA 1.0 1.918 4.466 250 250 A 10 ILE HB A 10 ILE HA 1.0 1.832 3.852 251 251 A 75 VAL HGx% A 81 TYR HBx 1.0 1.872 4.102 252 252 A 68 ARG HGy A 69 SER H 1.0 1.862 4.042 253 253 A 101 ILE HG1x A 101 ILE HB 1.0 1.822 3.792 254 254 A 85 ILE HG13 A 21 ALA HB% 1.0 1.985 5.305 255 255 A 75 VAL HB A 75 VAL HA 1.0 1.824 3.802 256 256 A 12 HIS HA A 12 HIS HBy 1.0 1.848 3.952 257 257 A 48 LEU HDy% A 53 LEU HA 1.0 1.924 4.510 258 258 A 75 VAL HGy% A 81 TYR HBy 1.0 1.792 3.630 259 259 A 31 LYS HGy A 67 ASP HBy 1.0 1.818 3.768 260 260 A 13 GLU HBy A 12 HIS HBy 1.0 1.974 5.116 261 261 A 77 SER HA A 77 SER HBy 1.0 1.886 4.200 262 262 A 18 ILE HG2% A 72 PHE HA 1.0 1.874 4.114 263 263 A 74 LEU HDy% A 74 LEU HA 1.0 1.935 4.623 264 264 A 10 ILE HD1% A 10 ILE HA 1.0 1.951 4.795 265 265 A 85 ILE HG2% A 20 THR HG2% 1.0 1.897 4.287 266 266 A 18 ILE HG1x A 18 ILE HA 1.0 1.783 3.581 267 267 A 37 ILE HG2% A 38 ASP HA 1.0 1.877 4.139 268 268 A 7 MET HA A 7 MET HBy 1.0 1.896 4.282 269 269 A 20 THR HG2% A 21 ALA HB% 1.0 1.913 4.419 270 270 A 32 VAL HB A 66 TYR HBy 1.0 1.827 3.817 271 271 A 51 GLU HA A 55 GLU H 1.0 1.974 5.116 272 272 A 32 VAL HB A 27 GLN HE22 1.0 1.927 4.553 273 273 A 68 ARG HBy A 23 LEU HDy% 1.0 1.980 5.224 274 274 A 97 LYS HB3 A 97 LYS HG3 1.0 1.818 3.770 275 275 A 86 ALA HB% A 86 ALA HA 1.0 1.814 3.742 276 276 A 8 VAL HGx% A 76 ALA HB% 1.0 1.908 4.372 277 277 A 25 TYR HBx A 25 TYR HDx 1.0 1.940 4.674 278 278 A 68 ARG HA A 68 ARG H 1.0 1.859 4.013 279 279 A 46 PRO HDy A 46 PRO HBx 1.0 1.991 5.455 280 280 A 48 LEU H A 48 LEU HG 1.0 1.833 3.855 281 281 A 18 ILE HD1% A 86 ALA HB% 1.0 1.926 4.530 282 282 A 10 ILE HD1% A 10 ILE HB 1.0 1.875 4.123 283 283 A 10 ILE HG1y A 10 ILE H 1.0 1.759 3.461 284 284 A 88 HIS HBy A 85 ILE HA 1.0 1.826 3.814 285 285 A 44 ALA HB% A 45 PHE HBy 1.0 1.923 4.511 286 286 A 53 LEU HDy% A 50 TRP HA 1.0 1.929 4.563 287 287 A 18 ILE HD1% A 72 PHE HDx 1.0 1.933 4.603 288 288 A 50 TRP HBy A 50 TRP HA 1.0 1.943 4.709 289 289 A 66 TYR HBx A 70 ALA HB% 1.0 1.960 4.914 290 290 A 57 LYS HBy A 61 ALA HB% 1.0 1.841 3.907 291 291 A 37 ILE HB A 61 ALA HB% 1.0 1.993 5.521 292 292 A 83 ARG HBx A 82 VAL HGy% 1.0 1.975 5.127 293 293 A 41 ILE HD1% A 41 ILE HB 1.0 1.950 4.782 294 294 A 93 PRO HBy A 94 GLU H 1.0 1.868 4.074 295 295 A 41 ILE HD1% A 41 ILE H 1.0 1.993 5.547 296 296 A 82 VAL HB A 82 VAL HA 1.0 1.790 3.616 297 297 A 37 ILE HD1% A 66 TYR HBy 1.0 1.938 4.652 298 298 A 75 VAL HB A 72 PHE HA 1.0 1.867 4.067 299 299 A 56 LYS HGy A 56 LYS H 1.0 1.952 4.816 300 300 A 78 ASP HA A 78 ASP HBx 1.0 1.923 4.509 301 301 A 41 ILE HB A 38 ASP HA 1.0 1.861 4.031 302 302 A 71 PHE HZ A 22 PHE HBx 1.0 1.836 3.874 303 303 A 85 ILE HD1% A 82 VAL HA 1.0 1.978 5.196 304 304 A 82 VAL HGy% A 14 ASP HBx 1.0 1.838 3.890 305 305 A 39 GLN HGy A 39 GLN HA 1.0 1.968 5.020 306 306 A 32 VAL HGx% A 37 ILE HA 1.0 1.910 4.394 307 307 A 75 VAL HGx% A 76 ALA HB% 1.0 1.954 4.840 308 308 A 10 ILE HG1y A 10 ILE HA 1.0 1.876 4.132 309 309 A 31 LYS HDx A 65 GLY HAx 1.0 1.834 3.860 310 310 A 17 ARG HBy A 17 ARG HDx 1.0 1.821 3.781 311 311 A 81 TYR HDx A 78 ASP HBy 1.0 1.968 5.034 312 312 A 74 LEU HA A 74 LEU HBy 1.0 1.949 4.779 313 313 A 36 MET HE% A 36 MET HBx 1.0 1.979 5.203 314 314 A 71 PHE HZ A 22 PHE HA 1.0 1.974 5.118 315 315 A 72 PHE HBy A 72 PHE HEx 1.0 1.980 5.224 316 316 A 32 VAL HGx% A 25 TYR HBy 1.0 2.000 5.900 317 317 A 71 PHE HBy A 71 PHE HA 1.0 1.877 4.143 318 318 A 31 LYS HDx A 31 LYS HA 1.0 1.971 5.061 319 319 A 35 ALA HB% A 36 MET HE% 1.0 1.978 5.174 320 320 A 54 GLN HA A 57 LYS HEy 1.0 1.907 4.371 321 321 A 15 THR HB A 15 THR HA 1.0 1.880 4.158 322 322 A 31 LYS HGy A 31 LYS HEy 1.0 1.990 5.442 323 323 A 37 ILE HG2% A 66 TYR HEx 1.0 1.978 5.182 324 324 A 41 ILE HD1% A 56 LYS HBy 1.0 1.940 4.672 325 325 A 44 ALA HB% A 80 GLN HGy 1.0 1.932 4.594 326 326 A 41 ILE HD1% A 38 ASP HA 1.0 1.994 5.578 327 327 A 8 VAL HGy% A 78 ASP HA 1.0 1.982 5.252 328 328 A 105 GLU HA A 106 LEU H 1.0 1.951 4.797 329 329 A 71 PHE HDx A 71 PHE HA 1.0 1.981 5.249 330 330 A 97 LYS HB3 A 97 LYS HA 1.0 1.893 4.255 331 331 A 61 ALA HB% A 57 LYS HEy 1.0 1.992 5.490 332 332 A 21 ALA HB% A 20 THR HB 1.0 1.986 5.352 333 333 A 37 ILE HG1y A 61 ALA HB% 1.0 1.926 4.540 334 334 A 41 ILE HG2% A 41 ILE HG1x 1.0 1.891 4.239 335 335 A 91 CYS HBy A 91 CYS H 1.0 1.963 4.945 336 336 A 53 LEU HDy% A 64 ASN HD22 1.0 1.944 4.720 337 337 A 16 GLN HBy A 103 ALA HB% 1.0 1.990 5.426 338 338 A 40 LEU HDy% A 41 ILE HA 1.0 1.926 4.538 339 339 A 102 ASP HBy A 102 ASP HA 1.0 1.958 4.890 340 340 A 53 LEU HG A 53 LEU HA 1.0 1.861 4.033 341 341 A 37 ILE HG2% A 57 LYS HEx 1.0 1.945 4.733 342 342 A 20 THR HG2% A 89 PHE HBy 1.0 1.956 4.868 343 343 A 29 GLN HBx A 30 ASP H 1.0 1.895 4.273 344 344 A 53 LEU HDx% A 42 CYS H 1.0 1.969 5.029 345 345 A 13 GLU HA A 13 GLU HGy 1.0 1.937 4.643 346 346 A 37 ILE HG1x A 34 GLU HA 1.0 1.931 4.581 347 347 A 91 CYS HBx A 91 CYS HA 1.0 1.866 4.066 348 348 A 26 ALA HB% A 28 GLY H 1.0 1.999 5.805 349 349 A 76 ALA HB% A 77 SER HA 1.0 1.948 4.766 350 350 A 32 VAL HGx% A 65 GLY HAy 1.0 1.960 4.914 351 351 A 41 ILE HB A 41 ILE HA 1.0 1.909 4.385 352 352 A 57 LYS HEx A 54 GLN HA 1.0 1.972 5.082 353 353 A 85 ILE HG13 A 85 ILE H 1.0 1.902 4.326 354 354 A 32 VAL HGx% A 36 MET HE% 1.0 1.953 4.823 355 355 A 81 TYR HDx A 40 LEU HG 1.0 1.968 5.010 356 356 A 51 GLU HGy A 50 TRP HE3 1.0 1.953 4.817 357 357 A 48 LEU HDy% A 48 LEU HA 1.0 1.903 4.341 358 358 A 82 VAL HGx% A 76 ALA HA 1.0 1.897 4.285 359 359 A 79 GLU HGx A 83 ARG HGx 1.0 1.786 3.600 360 360 A 31 LYS HGx A 31 LYS HA 1.0 1.996 5.646 361 361 A 86 ALA HB% A 17 ARG HDx 1.0 1.999 5.857 362 362 A 18 ILE HA A 18 ILE HB 1.0 1.890 4.238 363 363 A 22 PHE HBx A 19 LYS HA 1.0 1.997 5.677 364 364 A 39 GLN HA A 42 CYS HB3 1.0 1.925 4.533 365 365 A 37 ILE HG2% A 34 GLU HA 1.0 1.981 5.233 366 366 A 53 LEU HBx A 48 LEU HDx% 1.0 1.960 4.912 367 367 A 9 LYS HB3 A 10 ILE H 1.0 1.947 4.745 368 368 A 102 ASP HBx A 102 ASP H 1.0 1.912 4.408 369 369 A 21 ALA HB% A 20 THR H 1.0 1.992 5.494 370 370 A 71 PHE HBx A 71 PHE HA 1.0 1.922 4.502 371 371 A 23 LEU HG A 22 PHE HDx 1.0 1.974 5.104 372 372 A 65 GLY HAy A 31 LYS HB3 1.0 2.000 5.934 373 373 A 75 VAL HGx% A 18 ILE HB 1.0 1.980 5.230 374 374 A 75 VAL HGy% A 81 TYR HBx 1.0 1.991 5.491 375 375 A 51 GLU HBy A 52 GLN H 1.0 1.901 4.321 376 376 A 13 GLU HBy A 16 GLN HE21 1.0 2.000 5.958 377 377 A 60 ARG HBy A 70 ALA HB% 1.0 1.957 4.867 378 378 A 26 ALA HB% A 33 THR HB 1.0 1.999 5.795 379 379 A 29 GLN HA A 29 GLN HGx 1.0 1.958 4.882 380 380 A 36 MET HGy A 36 MET HA 1.0 1.996 5.654 381 381 A 74 LEU HDy% A 41 ILE HG1x 1.0 1.983 5.285 382 382 A 10 ILE HB A 14 ASP HBy 1.0 1.997 5.659 383 383 A 66 TYR HBx A 66 TYR HA 1.0 1.890 4.232 384 384 A 14 ASP HA A 14 ASP HBx 1.0 1.807 3.709 385 385 A 37 ILE HA A 40 LEU HBy 1.0 1.883 4.179 386 386 A 102 ASP HBy A 16 GLN HGy 1.0 1.993 5.541 387 387 A 37 ILE HA A 40 LEU H 1.0 1.903 4.337 388 388 A 36 MET HE% A 21 ALA HB% 1.0 1.954 4.828 389 389 A 40 LEU HDx% A 36 MET HE% 1.0 1.960 4.916 390 390 A 68 ARG HDy A 22 PHE HZ 1.0 2.000 6.082 391 391 A 40 LEU HDy% A 40 LEU H 1.0 2.000 6.040 392 392 A 31 LYS HB3 A 66 TYR H 1.0 1.999 6.109 393 393 A 37 ILE HG2% A 38 ASP HBy 1.0 1.999 5.841 394 394 A 40 LEU HBy A 41 ILE H 1.0 1.871 4.097 395 395 A 59 GLY HAy A 60 ARG HDy 1.0 1.982 5.258 396 396 A 86 ALA HA A 17 ARG HDx 1.0 1.991 6.529 397 397 A 23 LEU HG A 20 THR HA 1.0 1.990 5.432 398 398 A 32 VAL HGy% A 31 LYS HA 1.0 1.947 4.747 399 399 A 18 ILE HD1% A 19 LYS H 1.0 1.997 5.707 400 400 A 10 ILE HG1x A 15 THR HG2% 1.0 1.922 4.490 401 401 A 39 GLN HGy A 36 MET HA 1.0 1.989 5.417 402 402 A 57 LYS HBx A 57 LYS HEy 1.0 1.978 5.178 403 403 A 37 ILE HG1x A 37 ILE HA 1.0 1.940 4.678 404 404 A 60 ARG HA A 60 ARG HDy 1.0 1.924 4.514 405 405 A 110 LYS HA A 110 LYS HB3 1.0 1.931 4.577 406 406 A 56 LYS HBx A 56 LYS HEx 1.0 1.993 6.461 407 407 A 85 ILE HB A 85 ILE HA 1.0 1.930 4.574 408 408 A 91 CYS HA A 17 ARG HA 1.0 1.937 4.645 409 409 A 68 ARG HA A 22 PHE HDx 1.0 1.995 5.609 410 410 A 76 ALA HA A 76 ALA H 1.0 1.929 4.555 411 411 A 31 LYS HEy A 31 LYS HB3 1.0 1.975 5.127 412 412 A 29 GLN HGx A 27 GLN HE21 1.0 1.964 4.956 413 413 A 83 ARG HBx A 84 PHE H 1.0 1.975 5.127 414 414 A 37 ILE HG1y A 53 LEU HDy% 1.0 1.983 5.277 415 415 A 112 PHE HBy A 110 LYS HB3 1.0 1.985 5.317 416 416 A 65 GLY HAy A 31 LYS HGx 1.0 1.992 6.508 417 417 A 68 ARG HBy A 69 SER H 1.0 1.975 5.141 418 418 A 19 LYS HBy A 15 THR HG2% 1.0 1.999 5.831 419 419 A 40 LEU HDy% A 81 TYR HEx 1.0 1.999 5.785 420 420 A 12 HIS HBy A 12 HIS HD2 1.0 1.980 5.226 421 421 A 82 VAL HA A 85 ILE H 1.0 1.941 4.689 422 422 A 51 GLU HGx A 50 TRP HE3 1.0 1.974 5.118 423 423 A 15 THR HG2% A 16 GLN HA 1.0 1.997 5.663 424 424 A 8 VAL HGx% A 7 MET HA 1.0 1.994 5.568 425 425 A 74 LEU HDy% A 75 VAL HA 1.0 1.985 5.315 426 426 A 30 ASP HBx A 31 LYS H 1.0 1.951 4.799 427 427 A 20 THR HG2% A 21 ALA HA 1.0 1.978 5.176 428 428 A 48 LEU HBx A 48 LEU HA 1.0 1.955 4.845 429 429 A 76 ALA HB% A 73 SER HA 1.0 1.965 4.979 430 430 A 76 ALA HB% A 75 VAL HA 1.0 1.989 5.419 431 431 A 41 ILE HD1% A 57 LYS H 1.0 1.981 6.781 432 432 A 74 LEU HDx% A 74 LEU H 1.0 2.000 6.008 433 433 A 33 THR HG2% A 35 ALA H 1.0 1.997 5.701 434 434 A 53 LEU HDx% A 38 ASP HBy 1.0 1.991 5.469 435 435 A 53 LEU HBx A 50 TRP HA 1.0 1.996 6.370 436 436 A 103 ALA HB% A 103 ALA HA 1.0 1.951 4.805 437 437 A 35 ALA HB% A 38 ASP HBx 1.0 1.999 6.195 438 438 A 54 GLN HE22 A 54 GLN HG3 1.0 1.895 4.269 439 439 A 21 ALA HA A 89 PHE HBx 1.0 1.991 5.471 440 440 A 74 LEU HDx% A 78 ASP HA 1.0 1.996 5.646 441 441 A 9 LYS HA A 9 LYS HDy 1.0 1.936 4.634 442 442 A 37 ILE HD1% A 53 LEU HDy% 1.0 2.000 5.874 443 443 A 53 LEU HDy% A 53 LEU HA 1.0 1.997 5.679 444 444 A 48 LEU HDx% A 49 SER H 1.0 1.988 6.630 445 445 A 18 ILE HD1% A 18 ILE HB 1.0 1.940 4.672 446 446 A 53 LEU HDx% A 57 LYS HEy 1.0 1.986 5.346 447 447 A 48 LEU HDx% A 53 LEU H 1.0 1.999 5.939 448 448 A 23 LEU HDy% A 23 LEU H 1.0 1.981 6.817 449 449 A 40 LEU HDy% A 36 MET HE% 1.0 1.995 5.615 450 450 A 60 ARG HA A 60 ARG HDx 1.0 1.937 4.649 451 451 A 69 SER HBy A 72 PHE HBy 1.0 1.995 6.421 452 452 A 40 LEU HDy% A 81 TYR HBy 1.0 1.970 5.058 453 453 A 37 ILE HG2% A 66 TYR HBx 1.0 1.991 6.549 454 454 A 74 LEU HDy% A 57 LYS H 1.0 1.996 6.400 455 455 A 39 GLN HBy A 36 MET HA 1.0 1.941 4.685 456 456 A 20 THR HG2% A 16 GLN HGy 1.0 2.000 5.880 457 457 A 28 GLY HAx A 24 SER HBy 1.0 1.950 7.318 458 458 A 10 ILE HD1% A 14 ASP HBy 1.0 1.983 6.769 459 459 A 10 ILE HG2% A 14 ASP HBx 1.0 1.998 6.278 460 460 A 101 ILE HB A 101 ILE HD1% 1.0 1.974 5.128 461 461 A 13 GLU HGy A 13 GLU H 1.0 1.981 5.241 462 462 A 35 ALA HB% A 36 MET HGy 1.0 1.996 6.378 463 463 A 10 ILE HB A 14 ASP HBx 1.0 1.969 7.029 464 464 A 8 VAL HGx% A 10 ILE HG1x 1.0 1.963 7.125 465 465 A 42 CYS HB3 A 46 PRO HGy 1.0 1.971 6.987 466 466 A 91 CYS HBy A 16 GLN HBy 1.0 1.907 4.369 467 467 A 48 LEU HG A 48 LEU HA 1.0 1.982 5.264 468 468 A 21 ALA HA A 24 SER HBy 1.0 1.963 7.129 469 469 A 19 LYS HD3 A 15 THR HG2% 1.0 1.991 5.489 470 470 A 41 ILE HB A 42 CYS HB3 1.0 1.986 6.702 471 471 A 33 THR HG2% A 36 MET HGy 1.0 1.990 6.570 472 472 A 32 VAL HGx% A 32 VAL HA 1.0 1.975 5.137 473 473 A 75 VAL HGy% A 76 ALA HB% 1.0 1.989 6.621 474 474 A 61 ALA HB% A 58 LYS H 1.0 1.996 6.400 475 475 A 70 ALA HB% A 69 SER H 1.0 1.979 6.827 476 476 A 64 ASN HA A 63 ALA HB% 1.0 1.951 7.307 477 477 A 19 LYS HEy A 72 PHE HBy 1.0 1.985 5.313 478 478 A 31 LYS HB3 A 29 GLN HBy 1.0 1.974 6.946 479 479 A 26 ALA HB% A 36 MET HE% 1.0 1.996 6.390 480 480 A 71 PHE HDx A 61 ALA HB% 1.0 2.000 6.136 481 481 A 90 PRO HDx A 86 ALA HA 1.0 1.995 6.435 482 482 A 94 GLU H A 94 GLU HGy 1.0 1.998 5.740 483 483 A 8 VAL HGy% A 9 LYS HA 1.0 1.974 6.946 484 484 A 74 LEU HDy% A 81 TYR HEx 1.0 1.985 6.703 485 485 A 44 ALA HB% A 46 PRO HDy 1.0 1.991 6.569 486 486 A 87 GLN HA A 90 PRO HDy 1.0 1.989 5.409 487 487 A 41 ILE HD1% A 57 LYS HEy 1.0 1.985 6.711 488 488 A 83 ARG HDy A 80 GLN HA 1.0 1.982 6.780 489 489 A 74 LEU HG A 66 TYR HEx 1.0 1.961 7.147 490 490 A 101 ILE HB A 101 ILE HA 1.0 1.986 5.354 491 491 A 68 ARG HGy A 23 LEU HDx% 1.0 1.999 5.829 492 492 A 68 ARG HBy A 23 LEU HDx% 1.0 1.983 6.753 493 493 A 37 ILE HG1x A 36 MET HE% 1.0 2.000 6.096 494 494 A 26 ALA HA A 36 MET HE% 1.0 1.949 7.329 495 495 A 20 THR HG2% A 89 PHE HBx 1.0 1.989 6.609 496 496 A 101 ILE HD1% A 101 ILE HA 1.0 1.996 6.362 497 497 A 60 ARG HDx A 67 ASP HBx 1.0 1.972 6.976 498 498 A 21 ALA HA A 36 MET HGy 1.0 1.941 7.441 499 499 A 36 MET HE% A 26 ALA H 1.0 1.975 6.927 500 500 A 36 MET HE% A 39 GLN HE21 1.0 1.916 7.732 501 501 A 57 LYS HBx A 56 LYS H 1.0 1.865 8.215 502 502 A 37 ILE HB A 32 VAL HA 1.0 1.987 6.669 503 503 A 56 LYS HA A 57 LYS HGx 1.0 1.914 7.742 504 504 A 24 SER HBy A 89 PHE HEx 1.0 1.902 7.870 505 505 A 74 LEU HDx% A 74 LEU HBx 1.0 1.994 6.414 506 506 A 48 LEU HBy A 48 LEU HDy% 1.0 2.000 5.904 507 507 A 48 LEU HBy A 53 LEU HDx% 1.0 1.937 7.475 508 508 A 64 ASN HBy A 57 LYS HEy 1.0 1.894 7.942 509 509 A 40 LEU HDx% A 40 LEU HA 1.0 1.955 7.241 510 510 A 104 LEU HG A 104 LEU HDx% 1.0 2.000 6.034 511 511 A 18 ILE HD1% A 82 VAL HA 1.0 1.980 6.824 512 512 A 18 ILE HD1% A 79 GLU HGx 1.0 1.814 8.628 513 513 A 53 LEU HDy% A 57 LYS HEy 1.0 1.997 6.319 514 514 A 31 LYS HEy A 31 LYS HGx 1.0 1.862 8.244 515 515 A 10 ILE HD1% A 8 VAL HB 1.0 1.826 8.538 516 516 A 21 ALA HA A 88 HIS H 1.0 1.737 9.165 517 517 A 40 LEU HDx% A 40 LEU H 1.0 1.473 10.635 518 518 A 23 LEU HDy% A 26 ALA H 1.0 1.727 9.229 519 519 A 104 LEU HA A 104 LEU HBy 1.0 1.801 8.725 520 520 A 19 LYS HEy A 72 PHE HBx 1.0 1.448 10.754 521 521 A 36 MET HE% A 36 MET HGx 1.0 0.823 13.315 522 522 A 32 VAL HGx% A 37 ILE HB 1.0 0.000 50.957 523 523 A 8 VAL HA A 10 ILE H 1.0 0.923 12.947 524 524 A 21 ALA HA A 25 TYR HDx 1.0 1.365 11.145 525 525 A 18 ILE HG2% A 18 ILE HG1x 1.0 1.500 10.500 526 526 A 23 LEU HDx% A 25 TYR HEx 1.0 1.891 7.977 527 527 A 41 ILE HD1% A 66 TYR HEx 1.0 1.545 10.269 528 528 A 85 ILE HG2% A 89 PHE HBx 1.0 1.452 10.734 529 529 A 19 LYS HBy A 19 LYS HA 1.0 1.888 8.002 530 530 A 53 LEU HG A 56 LYS HA 1.0 1.596 10.000 531 531 A 103 ALA HB% A 105 GLU HBy 1.0 1.788 8.818 532 532 A 57 LYS HGx A 57 LYS HEy 1.0 1.891 7.971 533 533 A 87 GLN HBx A 88 HIS HBy 1.0 1.902 7.870 534 534 A 62 ALA HB% A 61 ALA HB% 1.0 1.814 8.622 535 535 A 7 MET HGx A 7 MET HA 1.0 1.974 6.948 536 536 A 19 LYS HBy A 103 ALA HB% 1.0 1.999 5.803 537 537 A 41 ILE HG1x A 41 ILE HA 1.0 1.933 7.533 538 538 A 36 MET HE% A 21 ALA HA 1.0 1.975 6.913 539 539 A 61 ALA HB% A 60 ARG H 1.0 1.856 8.294 540 540 A 85 ILE HG2% A 89 PHE HBy 1.0 1.999 6.171 541 541 A 16 GLN HE21 A 16 GLN HGy 1.0 1.957 7.225 542 542 A 36 MET HE% A 22 PHE HBx 1.0 1.995 6.411 543 543 A 101 ILE HB A 104 LEU HG 1.0 1.992 6.534 544 544 A 74 LEU HDy% A 45 PHE HZ 1.0 1.999 5.911 545 545 A 36 MET HE% A 22 PHE HDx 1.0 1.981 6.807 546 546 A 32 VAL HGx% A 33 THR HG2% 1.0 2.000 5.886 547 547 A 74 LEU HBx A 75 VAL H 1.0 1.979 6.851 548 548 A 36 MET HE% A 39 GLN HGy 1.0 1.997 5.673 549 549 A 33 THR HG2% A 32 VAL HA 1.0 1.989 6.597 550 550 A 50 TRP HBx A 53 LEU HDx% 1.0 1.999 5.835 551 551 A 40 LEU HBx A 37 ILE HA 1.0 1.994 5.574 552 552 A 83 ARG HBx A 87 GLN HA 1.0 1.998 6.288 553 553 A 41 ILE HG1y A 66 TYR HEx 1.0 1.998 5.758 554 554 A 61 ALA HB% A 64 ASN HA 1.0 1.986 5.338 555 555 A 40 LEU HDx% A 39 GLN HGy 1.0 1.989 6.615 556 556 A 55 GLU HGy A 56 LYS HBx 1.0 2.000 5.942 557 557 A 75 VAL HGx% A 81 TYR HA 1.0 1.989 5.413 558 558 A 91 CYS HBy A 103 ALA HB% 1.0 1.984 6.752 559 559 A 18 ILE HD1% A 18 ILE HA 1.0 2.000 5.998 560 560 A 12 HIS HBy A 103 ALA HB% 1.0 1.919 4.469 561 561 A 40 LEU HDx% A 66 TYR HEx 1.0 1.917 4.447 562 562 A 19 LYS HD3 A 103 ALA HB% 1.0 1.917 4.461 563 563 A 13 GLU HBy A 13 GLU HA 1.0 1.850 3.964 564 564 A 40 LEU HG A 81 TYR HEx 1.0 1.938 4.658 565 565 A 101 ILE HB A 103 ALA HB% 1.0 1.885 4.197 566 566 A 53 LEU HBx A 53 LEU HDx% 1.0 1.823 3.795 567 567 A 17 ARG HBy A 17 ARG HDy 1.0 1.782 3.580 568 568 A 101 ILE HG1y A 103 ALA HB% 1.0 1.990 5.442 569 569 A 48 LEU HDx% A 45 PHE HDx 1.0 1.953 4.817 570 570 A 32 VAL HGx% A 32 VAL HB 1.0 1.795 3.645 571 571 A 60 ARG HDy A 60 ARG HGx 1.0 1.832 3.848 572 572 A 102 ASP HBx A 102 ASP HA 1.0 1.809 3.719 573 573 A 44 ALA HB% A 81 TYR HEx 1.0 1.928 4.558 574 574 A 85 ILE HG2% A 89 PHE HDx 1.0 1.936 4.636 575 575 A 87 GLN HA A 87 GLN HGy 1.0 1.851 3.965 576 576 A 89 PHE HDx A 91 CYS HA 1.0 1.915 4.437 577 577 A 36 MET HBy A 25 TYR HBx 1.0 1.944 4.722 578 578 A 88 HIS HA A 88 HIS HBx 1.0 1.772 3.524 579 579 A 41 ILE HG2% A 42 CYS HA 1.0 1.781 3.567 580 580 A 25 TYR HBy A 25 TYR HDx 1.0 1.835 3.867 581 581 A 18 ILE HG1x A 18 ILE HB 1.0 1.715 3.265 582 582 A 103 ALA HB% A 104 LEU HG 1.0 1.736 3.360 583 583 A 18 ILE HG2% A 40 LEU HDx% 1.0 1.747 3.407 584 584 A 40 LEU HBy A 40 LEU HG 1.0 1.705 3.223 585 585 A 25 TYR HDx A 25 TYR HEx 1.0 1.924 4.520 586 586 A 46 PRO HDy A 45 PHE HDx 1.0 1.964 4.966 587 587 A 89 PHE HDx A 89 PHE HBy 1.0 1.822 3.788 588 588 A 26 ALA HB% A 27 GLN HGy 1.0 1.753 3.435 589 589 A 83 ARG HA A 83 ARG HGx 1.0 1.772 3.526 590 590 A 22 PHE HDx A 22 PHE HEx 1.0 1.825 3.807 591 591 A 81 TYR HEx A 45 PHE HZ 1.0 1.652 3.010 592 592 A 85 ILE HG2% A 21 ALA H 1.0 1.627 2.919 593 593 A 72 PHE HA A 73 SER H 1.0 1.737 3.359 594 594 A 49 SER H A 49 SER HBx 1.0 1.737 3.361 595 595 A 26 ALA HA A 33 THR H 1.0 1.869 4.087 596 596 A 74 LEU HBy A 75 VAL H 1.0 1.722 3.296 597 597 A 101 ILE HA A 101 ILE H 1.0 1.757 3.455 598 598 A 85 ILE HB A 86 ALA H 1.0 1.768 3.510 599 599 A 36 MET HBy A 36 MET H 1.0 1.936 4.630 600 600 A 54 GLN HG3 A 55 GLU H 1.0 1.808 3.716 601 601 A 17 ARG HA A 17 ARG H 1.0 1.795 3.639 602 602 A 100 GLU H A 99 PRO HBx 1.0 1.866 4.068 603 603 A 100 GLU H A 100 GLU HA 1.0 1.861 4.027 604 604 A 53 LEU HDx% A 53 LEU H 1.0 1.995 5.625 605 605 A 51 GLU HBx A 52 GLN H 1.0 1.869 4.083 606 606 A 100 GLU H A 100 GLU HBy 1.0 1.921 4.493 607 607 A 95 GLU HBx A 95 GLU H 1.0 1.905 4.351 608 608 A 88 HIS HA A 89 PHE H 1.0 1.956 4.858 609 609 A 13 GLU HA A 13 GLU H 1.0 1.922 4.496 610 610 A 100 GLU H A 100 GLU HBx 1.0 1.974 5.116 611 611 A 41 ILE HA A 41 ILE H 1.0 1.942 4.700 612 612 A 23 LEU HDy% A 68 ARG H 1.0 1.992 5.522 613 613 A 78 ASP HA A 77 SER H 1.0 1.976 6.910 614 614 A 40 LEU HBx A 41 ILE H 1.0 1.970 7.008 615 615 A 19 LYS HA A 22 PHE H 1.0 1.998 5.764 616 616 A 72 PHE HA A 75 VAL H 1.0 1.986 5.352 617 617 A 13 GLU HBx A 14 ASP H 1.0 1.998 5.792 618 618 A 101 ILE HB A 102 ASP H 1.0 1.926 7.608 619 619 A 20 THR HA A 21 ALA H 1.0 1.855 8.301 620 620 A 12 HIS HBy A 13 GLU H 1.0 1.375 11.099 621 621 A 57 LYS HBy A 58 LYS H 1.0 1.038 12.508 622 622 A 40 LEU HA A 41 ILE H 1.0 1.479 10.603 623 623 A 64 ASN H A 63 ALA H 1.0 1.733 9.191 624 624 A 48 LEU HG A 49 SER H 1.0 0.953 12.833 625 625 A 94 GLU H A 94 GLU HA 1.0 1.849 8.343 626 626 A 52 GLN HGx A 52 GLN HE22 1.0 1.858 8.276 627 627 A 36 MET H A 38 ASP H 1.0 1.923 7.651 628 628 A 103 ALA H A 19 LYS H 1.0 1.863 8.229 629 629 A 29 GLN HE22 A 29 GLN H 1.0 1.800 8.734 630 630 A 29 GLN HBx A 29 GLN HE21 1.0 1.663 9.623 631 631 A 20 THR HA A 23 LEU H 1.0 1.985 6.699 632 632 A 35 ALA H A 38 ASP H 1.0 1.989 6.585 633 633 A 54 GLN HBx A 55 GLU H 1.0 2.000 6.152 634 634 A 16 GLN HE21 A 12 HIS HD2 1.0 1.968 7.046 635 635 A 96 GLU HBx A 96 GLU H 1.0 2.000 5.912 636 636 A 39 GLN HE21 A 39 GLN H 1.0 1.937 7.489 637 637 A 60 ARG HGx A 70 ALA H 1.0 1.996 5.646 638 638 A 82 VAL H A 80 GLN HE22 1.0 1.928 7.588 639 639 A 54 GLN HE22 A 50 TRP HZ3 1.0 1.998 6.246 640 640 A 39 GLN HE22 A 84 PHE HEx 1.0 1.932 7.548 641 641 A 18 ILE H A 21 ALA H 1.0 1.991 5.477 642 642 A 20 THR HG2% A 86 ALA H 1.0 1.996 6.358 643 643 A 22 PHE H A 26 ALA H 1.0 1.998 6.274 644 644 A 16 GLN H A 19 LYS H 1.0 1.988 6.628 645 645 A 54 GLN HA A 55 GLU H 1.0 1.999 5.945 646 646 A 89 PHE H A 87 GLN H 1.0 1.996 6.360 647 647 A 52 GLN HBy A 49 SER H 1.0 1.976 5.162 648 648 A 77 SER H A 81 TYR H 1.0 1.970 7.010 649 649 A 80 GLN HE21 A 82 VAL H 1.0 1.974 6.940 650 650 A 29 GLN HGx A 29 GLN HE21 1.0 1.994 6.452 651 651 A 18 ILE H A 86 ALA H 1.0 1.990 6.576 652 652 A 85 ILE HA A 89 PHE H 1.0 1.999 5.847 653 653 A 109 GLN HBy A 110 LYS H 1.0 1.994 6.448 654 654 A 38 ASP HA A 38 ASP H 1.0 1.982 5.246 655 655 A 19 LYS HGy A 19 LYS H 1.0 1.919 4.477 656 656 A 81 TYR HDx A 80 GLN HE22 1.0 1.926 7.606 657 657 A 110 LYS HB3 A 110 LYS H 1.0 1.990 5.430 658 658 A 60 ARG HGx A 67 ASP H 1.0 1.986 5.346 659 659 A 67 ASP HBx A 67 ASP H 1.0 1.982 5.254 660 660 A 82 VAL H A 78 ASP H 1.0 1.987 5.355 661 661 A 37 ILE HA A 66 TYR H 1.0 1.970 7.016 662 662 A 29 GLN HGx A 29 GLN HE22 1.0 1.957 4.865 663 663 A 18 ILE HG1y A 82 VAL H 1.0 1.995 6.423 664 664 A 66 TYR H A 65 GLY H 1.0 1.951 4.799 665 665 A 111 GLY HAy A 112 PHE H 1.0 1.974 5.116 666 666 A 58 LYS H A 56 LYS H 1.0 1.985 5.335 667 667 A 10 ILE H A 14 ASP H 1.0 1.997 6.333 668 668 A 59 GLY HAy A 60 ARG H 1.0 1.966 4.992 669 669 A 60 ARG H A 65 GLY H 1.0 1.673 9.563 670 670 A 27 GLN HBy A 27 GLN HE21 1.0 1.992 5.516 671 671 A 30 ASP H A 29 GLN H 1.0 1.983 6.741 672 672 A 34 GLU HA A 35 ALA H 1.0 1.960 4.904 673 673 A 95 GLU H A 95 GLU HBy 1.0 1.967 4.999 674 674 A 38 ASP H A 41 ILE H 1.0 1.980 5.218 675 675 A 50 TRP HA A 53 LEU H 1.0 1.986 5.346 676 676 A 81 TYR HDx A 81 TYR H 1.0 2.000 5.984 677 677 A 31 LYS H A 29 GLN H 1.0 1.985 6.721 678 678 A 46 PRO HDx A 45 PHE H 1.0 1.988 6.652 679 679 A 13 GLU H A 13 GLU HBx 1.0 1.995 6.377 680 680 A 48 LEU H A 46 PRO HA 1.0 1.955 4.843 681 681 A 78 ASP H A 79 GLU H 1.0 1.982 5.250 682 682 A 10 ILE HG2% A 10 ILE H 1.0 2.000 6.044 683 683 A 78 ASP HA A 80 GLN H 1.0 1.991 5.479 684 684 A 8 VAL HGx% A 10 ILE H 1.0 1.985 5.323 685 685 A 31 LYS HGx A 32 VAL H 1.0 1.969 7.023 686 686 A 57 LYS HDx A 56 LYS H 1.0 1.995 5.633 687 687 A 88 HIS HD2 A 88 HIS H 1.0 1.986 5.346 688 688 A 64 ASN HBy A 64 ASN HD21 1.0 1.955 4.841 689 689 A 78 ASP HBy A 79 GLU H 1.0 1.987 5.381 690 690 A 64 ASN HD22 A 63 ALA HB% 1.0 1.994 5.558 691 691 A 62 ALA HB% A 65 GLY H 1.0 1.996 5.634 692 692 A 36 MET HE% A 39 GLN HE22 1.0 1.956 4.854 693 693 A 70 ALA HB% A 73 SER H 1.0 2.000 5.886 694 694 A 25 TYR HDx A 26 ALA H 1.0 1.993 6.497 695 695 A 14 ASP H A 11 SER H 1.0 1.922 4.496 696 696 A 101 ILE HG1x A 101 ILE H 1.0 1.857 4.005 697 697 A 102 ASP H A 105 GLU H 1.0 1.989 5.407 698 698 A 54 GLN HBy A 55 GLU H 1.0 2.000 5.880 699 699 A 91 CYS HBy A 92 ALA H 1.0 1.950 4.786 700 700 A 33 THR HG2% A 27 GLN HE22 1.0 1.974 6.950 701 701 A 91 CYS H A 18 ILE H 1.0 1.654 9.672 702 702 A 84 PHE HA A 87 GLN H 1.0 1.967 5.001 703 703 A 64 ASN HD22 A 50 TRP HE1 1.0 1.891 4.239 704 704 A 101 ILE HD1% A 101 ILE H 1.0 1.964 4.960 705 705 A 32 VAL HA A 26 ALA H 1.0 1.973 5.105 706 706 A 27 GLN HBy A 27 GLN H 1.0 1.945 4.725 707 707 A 10 ILE HD1% A 10 ILE H 1.0 2.000 6.034 708 708 A 93 PRO HDy A 94 GLU H 1.0 1.997 6.299 709 709 A 53 LEU HDy% A 54 GLN H 1.0 1.954 4.836 710 710 A 39 GLN HGy A 39 GLN HE21 1.0 1.943 4.705 711 711 A 70 ALA HB% A 72 PHE H 1.0 1.993 5.535 712 712 A 36 MET HA A 37 ILE H 1.0 1.942 4.694 713 713 A 33 THR HG2% A 27 GLN HE21 1.0 1.999 6.149 714 714 A 79 GLU HBx A 83 ARG H 1.0 1.996 5.634 715 715 A 52 GLN H A 49 SER H 1.0 1.961 4.931 716 716 A 40 LEU HDy% A 41 ILE H 1.0 1.975 5.131 717 717 A 15 THR HG2% A 16 GLN H 1.0 1.997 5.673 718 718 A 69 SER H A 67 ASP HBx 1.0 1.911 4.397 719 719 A 25 TYR HBy A 26 ALA H 1.0 1.948 4.762 720 720 A 27 GLN HE22 A 29 GLN HE22 1.0 1.941 4.687 721 721 A 48 LEU H A 49 SER H 1.0 1.997 5.687 722 722 A 78 ASP HBx A 80 GLN H 1.0 1.992 6.516 723 723 A 23 LEU HDx% A 24 SER H 1.0 1.998 6.250 724 724 A 103 ALA HB% A 104 LEU H 1.0 1.928 4.556 725 725 A 33 THR HA A 35 ALA H 1.0 1.994 5.564 726 726 A 27 GLN HGy A 28 GLY H 1.0 1.999 6.171 727 727 A 81 TYR HBx A 78 ASP H 1.0 1.940 4.682 728 728 A 101 ILE H A 105 GLU H 1.0 2.000 5.978 729 729 A 63 ALA H A 63 ALA HA 1.0 1.921 4.493 730 730 A 85 ILE HG2% A 89 PHE H 1.0 1.946 4.736 731 731 A 90 PRO HDy A 89 PHE H 1.0 1.950 4.782 732 732 A 92 ALA H A 16 GLN H 1.0 1.997 6.337 733 733 A 31 LYS HGy A 31 LYS H 1.0 1.925 4.525 734 734 A 101 ILE HG1y A 101 ILE H 1.0 1.953 4.817 735 735 A 37 ILE HA A 38 ASP H 1.0 1.912 4.412 736 736 A 75 VAL HA A 76 ALA H 1.0 1.935 4.621 737 737 A 62 ALA HB% A 61 ALA H 1.0 2.000 5.928 738 738 A 82 VAL HGx% A 76 ALA H 1.0 1.977 5.155 739 739 A 32 VAL HGx% A 26 ALA H 1.0 1.966 4.998 740 740 A 33 THR H A 32 VAL H 1.0 1.957 4.875 741 741 A 32 VAL HGy% A 33 THR H 1.0 1.978 5.174 742 742 A 53 LEU HDy% A 56 LYS H 1.0 1.996 5.680 743 743 A 44 ALA HB% A 43 GLY H 1.0 1.997 5.683 744 744 A 31 LYS HGx A 31 LYS H 1.0 1.905 4.349 745 745 A 56 LYS HDy A 52 GLN HE21 1.0 1.975 5.135 746 746 A 18 ILE HD1% A 15 THR H 1.0 1.964 4.966 747 747 A 79 GLU HGx A 80 GLN H 1.0 1.996 5.630 748 748 A 86 ALA HA A 87 GLN H 1.0 1.954 4.830 749 749 A 78 ASP HBy A 81 TYR H 1.0 1.872 4.104 750 750 A 16 GLN HA A 17 ARG H 1.0 1.969 5.041 751 751 A 53 LEU HDy% A 57 LYS H 1.0 1.990 6.566 752 752 A 81 TYR H A 83 ARG H 1.0 1.937 4.649 753 753 A 27 GLN HBy A 28 GLY H 1.0 1.915 4.441 754 754 A 10 ILE H A 9 LYS H 1.0 1.892 4.244 755 755 A 41 ILE HD1% A 45 PHE H 1.0 1.991 5.461 756 756 A 82 VAL HB A 81 TYR H 1.0 1.991 5.497 757 757 A 18 ILE HG2% A 22 PHE H 1.0 1.964 4.964 758 758 A 110 LYS H A 110 LYS HGy 1.0 1.946 4.738 759 759 A 33 THR HB A 33 THR H 1.0 1.912 4.402 760 760 A 81 TYR HA A 82 VAL H 1.0 1.919 4.471 761 761 A 35 ALA HA A 36 MET H 1.0 1.925 4.525 762 762 A 61 ALA HB% A 66 TYR H 1.0 1.937 4.645 763 763 A 50 TRP HE3 A 51 GLU H 1.0 1.963 4.959 764 764 A 54 GLN HA A 57 LYS H 1.0 1.972 5.088 765 765 A 93 PRO HBx A 94 GLU H 1.0 1.955 4.851 766 766 A 78 ASP H A 77 SER HBx 1.0 1.956 4.858 767 767 A 59 GLY HAx A 60 ARG H 1.0 1.941 4.681 768 768 A 74 LEU HA A 75 VAL H 1.0 1.952 4.808 769 769 A 89 PHE HBy A 21 ALA H 1.0 1.980 5.226 770 770 A 30 ASP H A 29 GLN HBy 1.0 1.841 3.903 771 771 A 42 CYS HA A 43 GLY H 1.0 1.929 4.565 772 772 A 32 VAL HGx% A 32 VAL H 1.0 1.965 4.985 773 773 A 21 ALA HB% A 22 PHE H 1.0 1.870 4.094 774 774 A 81 TYR HDx A 77 SER H 1.0 2.000 5.946 775 775 A 34 GLU HA A 38 ASP H 1.0 1.986 5.346 776 776 A 25 TYR HA A 26 ALA H 1.0 1.950 4.792 777 777 A 61 ALA H A 61 ALA HA 1.0 1.880 4.166 778 778 A 15 THR HB A 16 GLN H 1.0 1.892 4.250 779 779 A 80 GLN HA A 84 PHE H 1.0 1.965 4.971 780 780 A 10 ILE HB A 11 SER H 1.0 1.981 5.249 781 781 A 48 LEU H A 48 LEU HA 1.0 1.901 4.321 782 782 A 22 PHE HDx A 23 LEU H 1.0 1.972 5.074 783 783 A 41 ILE HA A 42 CYS H 1.0 1.951 4.801 784 784 A 80 GLN HE21 A 78 ASP HA 1.0 2.000 5.894 785 785 A 10 ILE HG2% A 14 ASP H 1.0 1.988 5.398 786 786 A 10 ILE HG1y A 8 VAL H 1.0 1.897 4.289 787 787 A 75 VAL HGx% A 76 ALA H 1.0 1.908 4.374 788 788 A 66 TYR HBy A 32 VAL H 1.0 1.890 4.230 789 789 A 49 SER HBx A 51 GLU H 1.0 1.931 4.581 790 790 A 26 ALA HB% A 31 LYS H 1.0 1.984 5.300 791 791 A 23 LEU HDx% A 23 LEU H 1.0 1.998 5.712 792 792 A 37 ILE HG2% A 38 ASP H 1.0 1.919 4.471 793 793 A 77 SER HA A 78 ASP H 1.0 1.942 4.696 794 794 A 53 LEU HG A 54 GLN H 1.0 1.955 4.845 795 795 A 85 ILE H A 87 GLN H 1.0 1.937 4.649 796 796 A 84 PHE HDx A 85 ILE H 1.0 1.999 5.789 797 797 A 46 PRO HDy A 45 PHE H 1.0 1.956 4.862 798 798 A 80 GLN HGy A 80 GLN H 1.0 1.976 5.152 799 799 A 81 TYR HDx A 82 VAL H 1.0 1.998 5.788 800 800 A 58 LYS H A 55 GLU HA 1.0 1.915 4.437 801 801 A 83 ARG HBx A 86 ALA H 1.0 1.984 5.310 802 802 A 80 GLN HBy A 81 TYR H 1.0 1.978 5.182 803 803 A 79 GLU HBx A 80 GLN H 1.0 1.988 5.376 804 804 A 15 THR HA A 18 ILE H 1.0 1.866 4.066 805 805 A 9 LYS HGy A 9 LYS H 1.0 1.798 3.656 806 806 A 52 GLN H A 54 GLN H 1.0 1.956 4.854 807 807 A 12 HIS HA A 13 GLU H 1.0 1.923 4.513 808 808 A 36 MET HBx A 33 THR H 1.0 1.885 4.199 809 809 A 55 GLU HGx A 56 LYS H 1.0 1.815 3.753 810 810 A 64 ASN HA A 64 ASN HD21 1.0 1.714 3.264 811 811 A 38 ASP HA A 39 GLN H 1.0 1.913 4.419 812 812 A 17 ARG HA A 20 THR H 1.0 1.919 4.471 813 813 A 88 HIS HBx A 89 PHE H 1.0 1.977 5.171 814 814 A 74 LEU HDy% A 74 LEU H 1.0 1.998 5.784 815 815 A 66 TYR HBx A 32 VAL H 1.0 1.878 4.148 816 816 A 18 ILE HA A 21 ALA H 1.0 1.874 4.118 817 817 A 94 GLU H A 95 GLU H 1.0 1.864 4.048 818 818 A 41 ILE HD1% A 42 CYS H 1.0 1.981 5.243 819 819 A 91 CYS HA A 17 ARG H 1.0 1.974 5.120 820 820 A 22 PHE HDx A 22 PHE H 1.0 2.000 6.108 821 821 A 81 TYR HBy A 82 VAL H 1.0 1.941 4.689 822 822 A 43 GLY HAx A 44 ALA H 1.0 1.821 3.785 823 823 A 27 GLN HE21 A 31 LYS H 1.0 1.974 5.118 824 824 A 51 GLU HA A 52 GLN H 1.0 1.923 4.499 825 825 A 53 LEU HBy A 54 GLN H 1.0 1.825 3.809 826 826 A 101 ILE H A 100 GLU HBx 1.0 1.862 4.034 827 827 A 34 GLU HA A 34 GLU H 1.0 1.842 3.908 828 828 A 40 LEU HA A 43 GLY H 1.0 1.886 4.210 829 829 A 16 GLN HBy A 16 GLN HE21 1.0 1.973 5.095 830 830 A 49 SER H A 49 SER HBy 1.0 1.947 4.749 831 831 A 26 ALA HA A 26 ALA H 1.0 1.880 4.156 832 832 A 84 PHE H A 86 ALA H 1.0 1.922 4.494 833 833 A 39 GLN HA A 42 CYS H 1.0 1.917 4.449 834 834 A 70 ALA H A 67 ASP H 1.0 1.884 4.192 835 835 A 79 GLU HBx A 9 LYS H 1.0 1.826 3.812 836 836 A 38 ASP HBy A 38 ASP H 1.0 1.977 5.161 837 837 A 47 GLY HAy A 47 GLY H 1.0 1.895 4.269 838 838 A 75 VAL HGy% A 76 ALA H 1.0 1.977 5.169 839 839 A 25 TYR HBx A 26 ALA H 1.0 1.853 3.979 840 840 A 81 TYR HDx A 80 GLN HE21 1.0 1.950 4.782 841 841 A 95 GLU H A 95 GLU HGx 1.0 1.891 4.245 842 842 A 68 ARG HBx A 69 SER H 1.0 1.970 5.054 843 843 A 48 LEU H A 47 GLY HAy 1.0 1.885 4.195 844 844 A 13 GLU HA A 14 ASP H 1.0 1.900 4.314 845 845 A 19 LYS HA A 20 THR H 1.0 1.911 4.407 846 846 A 23 LEU HG A 22 PHE H 1.0 1.982 5.266 847 847 A 47 GLY H A 47 GLY HAx 1.0 1.870 4.088 848 848 A 76 ALA HA A 78 ASP H 1.0 1.920 4.478 849 849 A 91 CYS H A 90 PRO HBy 1.0 1.874 4.116 850 850 A 28 GLY HAy A 29 GLN H 1.0 1.836 3.876 851 851 A 17 ARG HDy A 86 ALA H 1.0 1.915 4.435 852 852 A 14 ASP HBy A 11 SER H 1.0 1.634 2.942 853 853 A 67 ASP H A 71 PHE H 1.0 1.885 4.193 854 854 A 57 LYS HBx A 57 LYS H 1.0 1.955 4.845 855 855 A 32 VAL HA A 32 VAL H 1.0 1.821 3.783 856 856 A 16 GLN HA A 16 GLN H 1.0 1.873 4.107 857 857 A 40 LEU HG A 40 LEU H 1.0 1.962 4.936 858 858 A 14 ASP HA A 14 ASP H 1.0 1.792 3.626 859 859 A 28 GLY H A 25 TYR H 1.0 1.908 4.374 860 860 A 32 VAL HB A 66 TYR H 1.0 1.889 4.231 861 861 A 48 LEU H A 47 GLY HAx 1.0 1.923 4.505 862 862 A 91 CYS HBx A 91 CYS H 1.0 1.752 3.432 863 863 A 55 GLU HGx A 53 LEU H 1.0 1.892 4.248 864 864 A 50 TRP HA A 50 TRP H 1.0 1.870 4.088 865 865 A 76 ALA HB% A 77 SER H 1.0 1.883 4.187 866 866 A 35 ALA HA A 35 ALA H 1.0 1.860 4.022 867 867 A 81 TYR HBx A 82 VAL H 1.0 1.783 3.581 868 868 A 66 TYR HA A 66 TYR H 1.0 1.846 3.932 869 869 A 75 VAL HA A 75 VAL H 1.0 1.828 3.824 870 870 A 91 CYS HA A 91 CYS H 1.0 1.805 3.695 871 871 A 42 CYS HA A 45 PHE H 1.0 1.860 4.024 872 872 A 36 MET HA A 39 GLN H 1.0 1.879 4.155 873 873 A 92 ALA HA A 92 ALA H 1.0 1.851 3.969 874 874 A 51 GLU HGy A 51 GLU H 1.0 1.868 4.082 875 875 A 8 VAL HGy% A 79 GLU H 1.0 1.906 4.360 876 876 A 109 GLN HGy A 109 GLN H 1.0 1.880 4.158 877 877 A 21 ALA HA A 24 SER H 1.0 1.894 4.258 878 878 A 49 SER H A 52 GLN HGx 1.0 1.954 4.832 879 879 A 15 THR H A 15 THR HG2% 1.0 1.920 4.474 880 880 A 8 VAL HA A 8 VAL H 1.0 1.848 3.948 881 881 A 14 ASP H A 16 GLN H 1.0 1.858 4.012 882 882 A 45 PHE HBy A 45 PHE H 1.0 1.908 4.378 883 883 A 24 SER HBy A 25 TYR H 1.0 1.956 4.850 884 884 A 44 ALA HA A 45 PHE H 1.0 1.923 4.505 885 885 A 34 GLU HA A 37 ILE H 1.0 1.965 4.973 886 886 A 27 GLN HGy A 27 GLN HE22 1.0 1.952 4.808 887 887 A 33 THR HG2% A 34 GLU H 1.0 1.978 5.196 888 888 A 16 GLN HBy A 16 GLN HE22 1.0 1.751 3.429 889 889 A 13 GLU HBy A 14 ASP H 1.0 1.928 4.552 890 890 A 31 LYS H A 29 GLN HBy 1.0 1.967 5.003 891 891 A 10 ILE HG2% A 11 SER H 1.0 1.962 4.934 892 892 A 103 ALA HB% A 103 ALA H 1.0 1.937 4.643 893 893 A 36 MET HBx A 37 ILE H 1.0 1.870 4.090 894 894 A 39 GLN HGy A 39 GLN H 1.0 1.923 4.507 895 895 A 56 LYS HBy A 56 LYS H 1.0 1.935 4.615 896 896 A 35 ALA H A 34 GLU H 1.0 1.833 3.855 897 897 A 85 ILE HA A 88 HIS H 1.0 1.857 4.003 898 898 A 89 PHE HA A 89 PHE H 1.0 1.841 3.905 899 899 A 48 LEU H A 47 GLY H 1.0 1.820 3.784 900 900 A 57 LYS HGx A 56 LYS H 1.0 1.971 5.059 901 901 A 64 ASN HA A 63 ALA H 1.0 1.999 5.837 902 902 A 53 LEU HDy% A 53 LEU H 1.0 1.966 4.990 903 903 A 48 LEU HBy A 53 LEU H 1.0 1.847 3.937 904 904 A 37 ILE HA A 37 ILE H 1.0 1.807 3.711 905 905 A 45 PHE HBx A 45 PHE H 1.0 1.860 4.024 906 906 A 79 GLU HGx A 79 GLU H 1.0 1.982 5.256 907 907 A 78 ASP HBx A 78 ASP H 1.0 1.783 3.581 908 908 A 9 LYS HA A 9 LYS H 1.0 1.795 3.645 909 909 A 29 GLN HA A 29 GLN H 1.0 1.820 3.776 910 910 A 56 LYS HA A 56 LYS H 1.0 1.825 3.807 911 911 A 8 VAL HGx% A 78 ASP H 1.0 1.894 4.264 912 912 A 18 ILE HA A 18 ILE H 1.0 1.827 3.821 913 913 A 51 GLU HBx A 51 GLU H 1.0 1.868 4.076 914 914 A 22 PHE HBx A 22 PHE H 1.0 1.944 4.714 915 915 A 39 GLN H A 41 ILE H 1.0 1.879 4.149 916 916 A 78 ASP HBy A 78 ASP H 1.0 1.946 4.738 917 917 A 85 ILE HG2% A 86 ALA H 1.0 1.882 4.174 918 918 A 66 TYR H A 32 VAL H 1.0 1.815 3.753 919 919 A 77 SER H A 75 VAL H 1.0 1.874 4.120 920 920 A 18 ILE HA A 19 LYS H 1.0 1.813 3.741 921 921 A 22 PHE HEx A 32 VAL H 1.0 1.896 4.280 922 922 A 88 HIS HBx A 88 HIS H 1.0 1.969 5.031 923 923 A 25 TYR HA A 25 TYR H 1.0 1.869 4.085 924 924 A 88 HIS HA A 88 HIS H 1.0 1.837 3.881 925 925 A 105 GLU HBx A 105 GLU H 1.0 1.930 4.574 926 926 A 71 PHE HZ A 22 PHE H 1.0 1.951 4.803 927 927 A 57 LYS HGx A 58 LYS H 1.0 1.985 5.315 928 928 A 37 ILE HD1% A 37 ILE H 1.0 1.901 4.315 929 929 A 36 MET HA A 36 MET H 1.0 1.823 3.793 930 930 A 10 ILE HG1x A 10 ILE H 1.0 1.939 4.671 931 931 A 10 ILE HB A 10 ILE H 1.0 1.821 3.789 932 932 A 85 ILE HG2% A 18 ILE H 1.0 1.886 4.208 933 933 A 99 PRO HA A 100 GLU H 1.0 1.803 3.689 934 934 A 35 ALA H A 34 GLU HBy 1.0 1.942 4.700 935 935 A 49 SER H A 49 SER HA 1.0 1.837 3.877 936 936 A 25 TYR HBx A 25 TYR H 1.0 1.786 3.596 937 937 A 60 ARG HA A 60 ARG H 1.0 1.814 3.750 938 938 A 70 ALA H A 72 PHE H 1.0 1.863 4.047 939 939 A 60 ARG HGx A 60 ARG H 1.0 1.962 4.930 940 940 A 67 ASP HBy A 67 ASP H 1.0 1.782 3.578 941 941 A 40 LEU H A 41 ILE H 1.0 1.806 3.706 942 942 A 55 GLU HGx A 55 GLU H 1.0 1.736 3.356 943 943 A 41 ILE HG2% A 42 CYS H 1.0 1.871 4.095 944 944 A 26 ALA HB% A 29 GLN H 1.0 1.977 5.157 945 945 A 32 VAL HGx% A 37 ILE H 1.0 1.788 3.604 946 946 A 79 GLU H A 80 GLN H 1.0 1.793 3.633 947 947 A 38 ASP HBx A 39 GLN H 1.0 1.894 4.260 948 948 A 33 THR HA A 33 THR H 1.0 1.757 3.451 949 949 A 46 PRO HA A 47 GLY H 1.0 1.812 3.734 950 950 A 22 PHE H A 23 LEU H 1.0 1.810 3.726 951 951 A 82 VAL HA A 82 VAL H 1.0 1.748 3.412 952 952 A 48 LEU HDy% A 49 SER H 1.0 1.960 4.916 953 953 A 86 ALA HA A 86 ALA H 1.0 1.776 3.544 954 954 A 76 ALA HA A 77 SER H 1.0 1.812 3.732 955 955 A 29 GLN HBx A 31 LYS H 1.0 1.724 3.306 956 956 A 69 SER HBy A 69 SER H 1.0 1.832 3.848 957 957 A 72 PHE HBy A 73 SER H 1.0 1.958 4.874 958 958 A 67 ASP H A 67 ASP HA 1.0 1.753 3.433 959 959 A 14 ASP HBx A 11 SER H 1.0 1.978 5.192 960 960 A 83 ARG H A 84 PHE H 1.0 1.751 3.429 961 961 A 12 HIS HA A 12 HIS H 1.0 1.808 3.712 962 962 A 27 GLN HGy A 27 GLN H 1.0 1.812 3.736 963 963 A 69 SER HA A 70 ALA H 1.0 1.866 4.062 964 964 A 16 GLN HBy A 92 ALA H 1.0 1.936 4.636 965 965 A 78 ASP HA A 78 ASP H 1.0 1.800 3.666 966 966 A 79 GLU HA A 79 GLU H 1.0 1.801 3.673 967 967 A 85 ILE HA A 85 ILE H 1.0 1.796 3.650 968 968 A 67 ASP HBy A 68 ARG H 1.0 1.914 4.422 969 969 A 81 TYR HA A 81 TYR H 1.0 1.774 3.538 970 970 A 104 LEU HBy A 104 LEU H 1.0 1.751 3.427 971 971 A 13 GLU H A 12 HIS H 1.0 1.764 3.488 972 972 A 65 GLY HAy A 65 GLY H 1.0 1.775 3.541 973 973 A 86 ALA H A 87 GLN H 1.0 1.787 3.603 974 974 A 64 ASN HA A 64 ASN HD22 1.0 1.997 5.735 975 975 A 66 TYR HDx A 71 PHE H 1.0 1.938 4.650 976 976 A 50 TRP HBx A 50 TRP H 1.0 1.800 3.672 977 977 A 18 ILE HG2% A 19 LYS H 1.0 1.877 4.137 978 978 A 38 ASP H A 39 GLN H 1.0 1.766 3.498 979 979 A 21 ALA HA A 21 ALA H 1.0 1.801 3.675 980 980 A 32 VAL HGx% A 33 THR H 1.0 1.718 3.280 981 981 A 53 LEU H A 54 GLN H 1.0 1.784 3.586 982 982 A 41 ILE HB A 42 CYS H 1.0 1.767 3.503 983 983 A 27 GLN HGy A 27 GLN HE21 1.0 1.896 4.282 984 984 A 17 ARG H A 18 ILE H 1.0 1.792 3.630 985 985 A 42 CYS HB3 A 43 GLY H 1.0 1.826 3.812 986 986 A 15 THR H A 14 ASP HBx 1.0 1.907 4.375 987 987 A 48 LEU HBy A 48 LEU H 1.0 1.923 4.513 988 988 A 82 VAL H A 83 ARG H 1.0 1.730 3.334 989 989 A 39 GLN HA A 39 GLN H 1.0 1.821 3.783 990 990 A 97 LYS HB3 A 97 LYS H 1.0 1.822 3.790 991 991 A 71 PHE H A 72 PHE H 1.0 1.788 3.606 992 992 A 24 SER HA A 24 SER H 1.0 1.747 3.409 993 993 A 28 GLY H A 29 GLN H 1.0 1.690 3.160 994 994 A 105 GLU HA A 105 GLU H 1.0 1.742 3.388 995 995 A 11 SER H A 11 SER HBy 1.0 1.733 3.341 996 996 A 84 PHE H A 85 ILE H 1.0 1.778 3.558 997 997 A 44 ALA HA A 44 ALA H 1.0 1.838 3.886 998 998 A 72 PHE HBy A 72 PHE H 1.0 1.766 3.494 999 999 A 51 GLU HA A 51 GLU H 1.0 1.790 3.618 1000 1000 A 83 ARG H A 85 ILE H 1.0 1.902 4.328 1001 1001 A 52 GLN H A 51 GLU H 1.0 1.774 3.534 1002 1002 A 23 LEU HBx A 24 SER H 1.0 1.947 4.749 1003 1003 A 75 VAL HB A 76 ALA H 1.0 1.769 3.509 1004 1004 A 33 THR HB A 34 GLU H 1.0 1.770 3.518 1005 1005 A 81 TYR HBy A 81 TYR H 1.0 1.939 4.665 1006 1006 A 52 GLN H A 52 GLN HA 1.0 1.781 3.575 1007 1007 A 20 THR HB A 21 ALA H 1.0 1.859 4.017 1008 1008 A 102 ASP H A 101 ILE HA 1.0 1.790 3.620 1009 1009 A 54 GLN HBx A 54 GLN H 1.0 1.895 4.273 1010 1010 A 40 LEU HBx A 40 LEU H 1.0 1.753 3.433 1011 1011 A 15 THR H A 15 THR HA 1.0 1.768 3.510 1012 1012 A 14 ASP HBy A 14 ASP H 1.0 1.717 3.273 1013 1013 A 16 GLN H A 17 ARG H 1.0 1.743 3.389 1014 1014 A 72 PHE HBx A 72 PHE H 1.0 1.791 3.621 1015 1015 A 20 THR HA A 20 THR H 1.0 1.783 3.583 1016 1016 A 36 MET HGy A 36 MET H 1.0 1.948 4.762 1017 1017 A 15 THR H A 16 GLN H 1.0 1.755 3.443 1018 1018 A 78 ASP HA A 80 GLN HE22 1.0 1.782 3.576 1019 1019 A 40 LEU HA A 40 LEU H 1.0 1.788 3.604 1020 1020 A 50 TRP HBy A 51 GLU H 1.0 1.752 3.432 1021 1021 A 58 LYS H A 58 LYS HA 1.0 1.765 3.495 1022 1022 A 77 SER HA A 77 SER H 1.0 1.801 3.679 1023 1023 A 72 PHE HA A 72 PHE H 1.0 1.792 3.628 1024 1024 A 83 ARG HA A 85 ILE H 1.0 1.858 4.012 1025 1025 A 35 ALA H A 36 MET H 1.0 1.763 3.485 1026 1026 A 85 ILE H A 86 ALA H 1.0 1.751 3.429 1027 1027 A 72 PHE H A 73 SER H 1.0 1.770 3.520 1028 1028 A 48 LEU HDx% A 48 LEU H 1.0 1.958 4.884 1029 1029 A 71 PHE HBy A 71 PHE H 1.0 1.791 3.621 1030 1030 A 27 GLN HA A 28 GLY H 1.0 1.854 3.984 1031 1031 A 22 PHE HA A 23 LEU H 1.0 1.790 3.616 1032 1032 A 64 ASN HA A 65 GLY H 1.0 1.692 3.168 1033 1033 A 44 ALA HB% A 45 PHE H 1.0 1.803 3.687 1034 1034 A 71 PHE HA A 71 PHE H 1.0 1.788 3.608 1035 1035 A 45 PHE HDx A 45 PHE H 1.0 1.871 4.093 1036 1036 A 53 LEU H A 54 GLN HBy 1.0 1.925 4.531 1037 1037 A 42 CYS HA A 42 CYS H 1.0 1.778 3.554 1038 1038 A 74 LEU HBy A 74 LEU H 1.0 1.730 3.328 1039 1039 A 66 TYR HBy A 66 TYR H 1.0 1.878 4.142 1040 1040 A 73 SER H A 74 LEU H 1.0 1.762 3.480 1041 1041 A 102 ASP HA A 103 ALA H 1.0 1.785 3.595 1042 1042 A 14 ASP HBx A 14 ASP H 1.0 1.861 4.025 1043 1043 A 32 VAL HGy% A 32 VAL H 1.0 1.834 3.864 1044 1044 A 81 TYR H A 80 GLN H 1.0 1.743 3.389 1045 1045 A 102 ASP HBy A 102 ASP H 1.0 1.811 3.727 1046 1046 A 52 GLN H A 53 LEU H 1.0 1.731 3.335 1047 1047 A 87 GLN HBx A 87 GLN H 1.0 1.728 3.320 1048 1048 A 19 LYS HA A 19 LYS H 1.0 1.827 3.817 1049 1049 A 15 THR H A 14 ASP H 1.0 1.732 3.336 1050 1050 A 60 ARG HBy A 60 ARG H 1.0 1.698 3.194 1051 1051 A 45 PHE HDx A 44 ALA H 1.0 1.952 4.808 1052 1052 A 20 THR H A 21 ALA H 1.0 1.734 3.348 1053 1053 A 70 ALA H A 70 ALA HA 1.0 1.817 3.761 1054 1054 A 30 ASP H A 31 LYS H 1.0 1.734 3.346 1055 1055 A 32 VAL HB A 32 VAL H 1.0 1.704 3.216 1056 1056 A 23 LEU H A 24 SER H 1.0 1.750 3.424 1057 1057 A 81 TYR HDx A 78 ASP H 1.0 1.890 4.232 1058 1058 A 31 LYS HB3 A 32 VAL H 1.0 1.912 4.412 1059 1059 A 57 LYS HA A 57 LYS H 1.0 1.756 3.450 1060 1060 A 68 ARG H A 67 ASP HA 1.0 1.655 3.023 1061 1061 A 65 GLY HAx A 65 GLY H 1.0 1.770 3.518 1062 1062 A 80 GLN HBy A 80 GLN H 1.0 1.896 4.282 1063 1063 A 82 VAL HB A 83 ARG H 1.0 1.650 3.004 1064 1064 A 36 MET H A 37 ILE H 1.0 1.698 3.194 1065 1065 A 80 GLN HA A 80 GLN H 1.0 1.728 3.318 1066 1066 A 28 GLY HAy A 28 GLY H 1.0 1.799 3.665 1067 1067 A 74 LEU HBx A 74 LEU H 1.0 1.745 3.397 1068 1068 A 24 SER H A 25 TYR H 1.0 1.720 3.284 1069 1069 A 54 GLN HG3 A 54 GLN H 1.0 1.704 3.220 1070 1070 A 62 ALA HA A 62 ALA H 1.0 1.730 3.330 1071 1071 A 71 PHE HBx A 71 PHE H 1.0 1.716 3.268 1072 1072 A 22 PHE HA A 22 PHE H 1.0 1.742 3.384 1073 1073 A 68 ARG HBy A 68 ARG H 1.0 1.901 4.315 1074 1074 A 8 VAL HGx% A 8 VAL H 1.0 1.750 3.420 1075 1075 A 26 ALA H A 27 GLN H 1.0 1.722 3.296 1076 1076 A 21 ALA H A 22 PHE H 1.0 1.708 3.236 1077 1077 A 37 ILE H A 38 ASP H 1.0 1.696 3.184 1078 1078 A 94 GLU H A 94 GLU HBy 1.0 1.739 3.369 1079 1079 A 40 LEU HBy A 40 LEU H 1.0 1.677 3.111 1080 1080 A 70 ALA H A 71 PHE H 1.0 1.717 3.273 1081 1081 A 88 HIS HBy A 88 HIS H 1.0 1.686 3.144 1082 1082 A 55 GLU HA A 55 GLU H 1.0 1.742 3.388 1083 1083 A 58 LYS H A 58 LYS HGy 1.0 1.700 3.202 1084 1084 A 81 TYR HBx A 81 TYR H 1.0 1.645 2.985 1085 1085 A 74 LEU H A 75 VAL H 1.0 1.726 3.310 1086 1086 A 92 ALA HB% A 92 ALA H 1.0 1.731 3.337 1087 1087 A 17 ARG HBy A 17 ARG H 1.0 1.635 2.949 1088 1088 A 54 GLN HBy A 54 GLN H 1.0 1.672 3.090 1089 1089 A 31 LYS HB3 A 31 LYS H 1.0 1.635 2.947 1090 1090 A 77 SER H A 77 SER HBx 1.0 1.733 3.345 1091 1091 A 93 PRO HA A 94 GLU H 1.0 1.734 3.348 1092 1092 A 50 TRP HE1 A 50 TRP HD1 1.0 1.727 3.317 1093 1093 A 19 LYS HBy A 19 LYS H 1.0 1.773 3.533 1094 1094 A 91 CYS H A 90 PRO HA 1.0 1.657 3.029 1095 1095 A 82 VAL H A 81 TYR H 1.0 1.679 3.113 1096 1096 A 105 GLU H A 104 LEU H 1.0 1.666 3.066 1097 1097 A 43 GLY HAy A 43 GLY H 1.0 1.772 3.526 1098 1098 A 57 LYS HBy A 57 LYS H 1.0 1.671 3.087 1099 1099 A 109 GLN HA A 110 LYS H 1.0 1.705 3.225 1100 1100 A 42 CYS HB3 A 42 CYS H 1.0 1.665 3.059 1101 1101 A 33 THR HG2% A 33 THR H 1.0 1.642 2.970 1102 1102 A 11 SER H A 11 SER HA 1.0 1.676 3.106 1103 1103 A 95 GLU H A 94 GLU HA 1.0 1.693 3.173 1104 1104 A 41 ILE H A 42 CYS H 1.0 1.691 3.163 1105 1105 A 29 GLN HBy A 29 GLN H 1.0 1.781 3.569 1106 1106 A 65 GLY HAx A 66 TYR H 1.0 1.880 4.156 1107 1107 A 25 TYR HBy A 25 TYR H 1.0 1.898 4.296 1108 1108 A 68 ARG H A 67 ASP HBx 1.0 1.647 2.993 1109 1109 A 53 LEU HBx A 53 LEU H 1.0 1.705 3.221 1110 1110 A 45 PHE H A 44 ALA H 1.0 1.684 3.134 1111 1111 A 9 LYS HB3 A 9 LYS H 1.0 1.570 2.722 1112 1112 A 80 GLN HBx A 80 GLN H 1.0 1.603 2.833 1113 1113 A 19 LYS H A 20 THR H 1.0 1.661 3.043 1114 1114 A 33 THR HA A 34 GLU H 1.0 1.666 3.064 1115 1115 A 32 VAL HA A 33 THR H 1.0 1.569 2.715 1116 1116 A 69 SER H A 70 ALA H 1.0 1.671 3.083 1117 1117 A 28 GLY HAx A 28 GLY H 1.0 1.572 2.726 1118 1118 A 8 VAL H A 7 MET HA 1.0 1.669 3.077 1119 1119 A 23 LEU HG A 23 LEU H 1.0 1.624 2.906 1120 1120 A 86 ALA HB% A 86 ALA H 1.0 1.673 3.093 1121 1121 A 89 PHE H A 88 HIS H 1.0 1.672 3.090 1122 1122 A 75 VAL HGy% A 75 VAL H 1.0 1.647 2.993 1123 1123 A 77 SER H A 76 ALA H 1.0 1.660 3.040 1124 1124 A 82 VAL HGx% A 82 VAL H 1.0 1.645 2.981 1125 1125 A 83 ARG HBx A 83 ARG H 1.0 1.729 3.323 1126 1126 A 65 GLY HAy A 66 TYR H 1.0 1.613 2.867 1127 1127 A 70 ALA HB% A 71 PHE H 1.0 1.678 3.114 1128 1128 A 16 GLN HGy A 16 GLN H 1.0 1.780 3.564 1129 1129 A 76 ALA HB% A 76 ALA H 1.0 1.663 3.055 1130 1130 A 24 SER HBy A 24 SER H 1.0 1.819 3.777 1131 1131 A 78 ASP HA A 79 GLU H 1.0 1.628 2.920 1132 1132 A 79 GLU HA A 82 VAL H 1.0 1.634 2.942 1133 1133 A 89 PHE HBy A 89 PHE H 1.0 1.650 3.002 1134 1134 A 73 SER HBx A 73 SER H 1.0 1.646 2.990 1135 1135 A 41 ILE HB A 41 ILE H 1.0 1.645 2.987 1136 1136 A 35 ALA HB% A 35 ALA H 1.0 1.646 2.986 1137 1137 A 8 VAL HA A 9 LYS H 1.0 1.632 2.934 1138 1138 A 74 LEU HA A 74 LEU H 1.0 1.679 3.115 1139 1139 A 70 ALA HB% A 70 ALA H 1.0 1.606 2.844 1140 1140 A 10 ILE H A 9 LYS HA 1.0 1.602 2.828 1141 1141 A 79 GLU HBx A 79 GLU H 1.0 1.760 3.470 1142 1142 A 55 GLU HBy A 55 GLU H 1.0 1.583 2.763 1143 1143 A 27 GLN HA A 27 GLN H 1.0 1.599 2.817 1144 1144 A 16 GLN HBy A 16 GLN H 1.0 1.565 2.703 1145 1145 A 66 TYR HBx A 66 TYR H 1.0 1.471 2.413 1146 1146 A 37 ILE HG2% A 37 ILE H 1.0 1.742 3.384 1147 1147 A 64 ASN HD22 A 64 ASN HD21 1.0 1.356 2.106 1148 1148 A 39 GLN HBy A 39 GLN H 1.0 1.478 2.436 1149 1149 A 29 GLN HE22 A 29 GLN HE21 1.0 1.414 2.256 1150 1150 A 52 GLN HE22 A 52 GLN HE21 1.0 1.365 2.125 1151 1151 A 27 GLN HE22 A 27 GLN HE21 1.0 1.317 2.009 1152 1152 A 80 GLN HE21 A 80 GLN HE22 1.0 1.229 1.805 1153 1153 A 16 GLN HE21 A 16 GLN HE22 1.0 1.201 1.743 1154 1154 A 33 THR HB A 35 ALA H 1.0 1.830 3.838 1155 1155 A 66 TYR HA A 22 PHE HEx 1.0 1.926 4.538 1156 1156 A 45 PHE H A 45 PHE HA 1.0 1.761 3.477 1157 1157 A 45 PHE HDx A 45 PHE HA 1.0 1.974 5.112 1158 1158 A 30 ASP HA A 31 LYS H 1.0 1.928 7.588 1159 1159 A 30 ASP H A 29 GLN HA 1.0 1.999 5.917 1160 1160 A 66 TYR HA A 67 ASP H 1.0 1.575 2.739 1161 1161 A 50 TRP H A 49 SER HA 1.0 1.899 4.307 1162 1162 A 102 ASP HA A 102 ASP H 1.0 1.876 4.134 1163 1163 A 20 THR HB A 20 THR H 1.0 1.590 2.788 1164 1164 A 15 THR H A 15 THR HB 1.0 1.897 4.283 1165 1165 A 10 ILE HA A 11 SER H 1.0 1.593 2.797 1166 1166 A 10 ILE HA A 10 ILE H 1.0 1.962 4.944 1167 1167 A 49 SER HBx A 50 TRP H 1.0 1.989 6.615 1168 1168 A 112 PHE H A 112 PHE HA 1.0 1.925 4.521 1169 1169 A 12 HIS HA A 12 HIS HD2 1.0 1.998 5.780 1170 1170 A 88 HIS HD2 A 84 PHE HA 1.0 2.000 6.068 1171 1171 A 84 PHE HA A 84 PHE HDx 1.0 1.883 4.183 1172 1172 A 48 LEU HA A 49 SER H 1.0 1.592 2.794 1173 1173 A 81 TYR HA A 81 TYR HEx 1.0 1.998 6.264 1174 1174 A 25 TYR HDx A 25 TYR HA 1.0 1.757 3.453 1175 1175 A 50 TRP HA A 51 GLU H 1.0 1.762 3.476 1176 1176 A 50 TRP HA A 50 TRP HD1 1.0 1.937 4.635 1177 1177 A 24 SER HA A 25 TYR H 1.0 1.978 5.178 1178 1178 A 86 ALA HA A 88 HIS H 1.0 1.999 5.871 1179 1179 A 57 LYS HA A 58 LYS H 1.0 1.954 7.254 1180 1180 A 81 TYR HDx A 81 TYR HBx 1.0 1.821 3.789 1181 1181 A 83 ARG HA A 83 ARG H 1.0 1.733 3.343 1182 1182 A 73 SER HBx A 74 LEU H 1.0 1.863 4.045 1183 1183 A 27 GLN HE22 A 32 VAL HA 1.0 1.874 4.114 1184 1184 A 40 LEU HA A 84 PHE HDx 1.0 1.929 7.575 1185 1185 A 71 PHE HA A 66 TYR HDx 1.0 2.000 6.002 1186 1186 A 73 SER HBy A 73 SER H 1.0 1.875 4.125 1187 1187 A 91 CYS HA A 92 ALA H 1.0 1.271 1.897 1188 1188 A 13 GLU HA A 16 GLN HE22 1.0 1.984 5.294 1189 1189 A 53 LEU H A 52 GLN HA 1.0 1.982 5.268 1190 1190 A 55 GLU HA A 57 LYS H 1.0 2.000 6.066 1191 1191 A 69 SER HA A 69 SER H 1.0 1.709 3.239 1192 1192 A 26 ALA HA A 27 GLN H 1.0 1.953 4.827 1193 1193 A 15 THR HA A 72 PHE HDx 1.0 1.558 10.204 1194 1194 A 25 TYR HDx A 24 SER HBy 1.0 1.997 6.323 1195 1195 A 65 GLY HAx A 27 GLN HE21 1.0 2.000 6.122 1196 1196 A 53 LEU HA A 53 LEU H 1.0 1.819 3.777 1197 1197 A 53 LEU HA A 56 LYS H 1.0 1.948 4.762 1198 1198 A 53 LEU HA A 52 GLN HE22 1.0 1.946 4.740 1199 1199 A 23 LEU HA A 22 PHE HDx 1.0 1.998 6.256 1200 1200 A 17 ARG HDx A 16 GLN HE22 1.0 1.934 7.522 1201 1201 A 23 LEU HA A 26 ALA H 1.0 1.868 4.078 1202 1202 A 17 ARG HDx A 11 SER H 1.0 1.999 6.157 1203 1203 A 54 GLN HA A 53 LEU H 1.0 1.981 6.807 1204 1204 A 97 LYS H A 99 PRO HDy 1.0 0.000 22.364 1205 1205 A 17 ARG HDx A 17 ARG H 1.0 1.941 4.681 1206 1206 A 41 ILE HA A 45 PHE HZ 1.0 1.684 9.496 1207 1207 A 54 GLN HA A 50 TRP HE1 1.0 1.957 4.877 1208 1208 A 41 ILE HA A 81 TYR HEx 1.0 1.878 4.144 1209 1209 A 44 ALA HA A 80 GLN HE21 1.0 1.879 4.151 1210 1210 A 41 ILE HA A 45 PHE HEx 1.0 1.635 2.949 1211 1211 A 37 ILE HA A 66 TYR HEx 1.0 1.996 5.668 1212 1212 A 28 GLY HAx A 29 GLN H 1.0 1.778 3.558 1213 1213 A 37 ILE HA A 22 PHE HDx 1.0 1.983 5.269 1214 1214 A 50 TRP HBx A 50 TRP HD1 1.0 1.863 4.043 1215 1215 A 50 TRP HBx A 51 GLU H 1.0 1.913 4.411 1216 1216 A 50 TRP HBx A 50 TRP HE3 1.0 1.971 6.995 1217 1217 A 71 PHE HBx A 72 PHE H 1.0 1.868 4.078 1218 1218 A 71 PHE HDx A 71 PHE HBx 1.0 1.866 4.066 1219 1219 A 12 HIS HBx A 12 HIS H 1.0 1.495 2.487 1220 1220 A 84 PHE HB3 A 84 PHE HDx 1.0 1.457 2.377 1221 1221 A 84 PHE HB3 A 85 ILE H 1.0 1.497 2.489 1222 1222 A 12 HIS HBx A 13 GLU H 1.0 1.683 3.133 1223 1223 A 72 PHE HBx A 73 SER H 1.0 1.839 3.891 1224 1224 A 66 TYR HBx A 66 TYR HDx 1.0 1.785 3.593 1225 1225 A 82 VAL HA A 83 ARG H 1.0 1.931 4.583 1226 1226 A 50 TRP HBy A 50 TRP HE3 1.0 1.669 3.077 1227 1227 A 50 TRP HBy A 50 TRP HD1 1.0 1.996 6.336 1228 1228 A 50 TRP HBy A 50 TRP H 1.0 1.809 3.721 1229 1229 A 17 ARG HDy A 17 ARG H 1.0 1.996 6.364 1230 1230 A 50 TRP HBy A 50 TRP HZ2 1.0 1.998 5.742 1231 1231 A 71 PHE HDx A 71 PHE HBy 1.0 1.831 3.843 1232 1232 A 84 PHE HEx A 43 GLY HAx 1.0 1.998 6.258 1233 1233 A 75 VAL HA A 77 SER H 1.0 1.976 5.156 1234 1234 A 43 GLY HAx A 43 GLY H 1.0 1.666 3.064 1235 1235 A 112 PHE HBx A 112 PHE HDx 1.0 1.933 7.533 1236 1236 A 112 PHE HBx A 112 PHE HEx 1.0 1.741 9.137 1237 1237 A 68 ARG HA A 71 PHE H 1.0 1.972 5.088 1238 1238 A 36 MET HGx A 36 MET H 1.0 1.928 4.552 1239 1239 A 45 PHE HBx A 45 PHE HDx 1.0 1.862 4.038 1240 1240 A 66 TYR HDx A 66 TYR HBy 1.0 1.796 3.650 1241 1241 A 30 ASP HBx A 30 ASP H 1.0 1.809 3.715 1242 1242 A 21 ALA HA A 89 PHE HDx 1.0 2.000 6.084 1243 1243 A 66 TYR HBy A 22 PHE HEx 1.0 1.776 3.548 1244 1244 A 78 ASP HBx A 82 VAL H 1.0 2.000 5.924 1245 1245 A 81 TYR HDx A 78 ASP HBx 1.0 1.873 4.111 1246 1246 A 78 ASP HBx A 81 TYR HEx 1.0 1.965 4.967 1247 1247 A 22 PHE HA A 26 ALA H 1.0 1.968 5.018 1248 1248 A 22 PHE HDx A 22 PHE HA 1.0 1.654 3.016 1249 1249 A 64 ASN HBy A 64 ASN HD22 1.0 1.985 6.691 1250 1250 A 78 ASP HBy A 81 TYR HEx 1.0 1.989 5.429 1251 1251 A 29 GLN HBx A 29 GLN H 1.0 1.702 3.212 1252 1252 A 29 GLN HBx A 29 GLN HE22 1.0 1.748 3.416 1253 1253 A 51 GLU HGx A 51 GLU H 1.0 1.952 4.806 1254 1254 A 38 ASP HBy A 39 GLN H 1.0 1.830 3.840 1255 1255 A 66 TYR HDx A 57 LYS HEy 1.0 1.999 6.247 1256 1256 A 39 GLN HBy A 40 LEU H 1.0 1.745 3.397 1257 1257 A 79 GLU HGx A 81 TYR H 1.0 1.999 6.107 1258 1258 A 27 GLN HGy A 34 GLU H 1.0 1.992 6.538 1259 1259 A 88 HIS HBx A 88 HIS HD2 1.0 2.000 5.932 1260 1260 A 29 GLN HBy A 29 GLN HE22 1.0 1.943 4.707 1261 1261 A 16 GLN HBy A 17 ARG H 1.0 1.627 2.919 1262 1262 A 16 GLN HGy A 16 GLN HE22 1.0 1.972 5.096 1263 1263 A 34 GLU H A 34 GLU HGy 1.0 1.630 9.810 1264 1264 A 82 VAL HB A 82 VAL H 1.0 1.642 2.974 1265 1265 A 34 GLU H A 34 GLU HBy 1.0 1.798 3.656 1266 1266 A 107 LYS HB3 A 107 LYS H 1.0 1.916 4.440 1267 1267 A 18 ILE HG1x A 18 ILE H 1.0 1.654 3.016 1268 1268 A 88 HIS HBy A 89 PHE H 1.0 1.980 5.216 1269 1269 A 19 LYS HBy A 20 THR H 1.0 1.639 2.965 1270 1270 A 93 PRO HGx A 94 GLU H 1.0 1.918 4.458 1271 1271 A 56 LYS HBx A 56 LYS H 1.0 1.519 2.557 1272 1272 A 56 LYS HBx A 57 LYS H 1.0 1.951 4.795 1273 1273 A 55 GLU HGy A 52 GLN HE22 1.0 1.986 5.364 1274 1274 A 32 VAL HB A 22 PHE HZ 1.0 1.968 5.020 1275 1275 A 51 GLU HBy A 51 GLU H 1.0 1.832 3.850 1276 1276 A 32 VAL HB A 22 PHE HDx 1.0 1.905 4.349 1277 1277 A 80 GLN HE21 A 80 GLN HGy 1.0 0.905 13.013 1278 1278 A 80 GLN HGy A 80 GLN HE22 1.0 1.998 6.270 1279 1279 A 40 LEU HBx A 88 HIS HD2 1.0 1.990 6.576 1280 1280 A 13 GLU HBy A 13 GLU H 1.0 1.784 3.588 1281 1281 A 40 LEU HBx A 39 GLN HE21 1.0 1.876 4.132 1282 1282 A 56 LYS HBy A 57 LYS H 1.0 1.926 4.528 1283 1283 A 52 GLN HBy A 52 GLN H 1.0 1.729 3.327 1284 1284 A 58 LYS H A 58 LYS HBx 1.0 1.559 2.683 1285 1285 A 71 PHE HEx A 40 LEU HBx 1.0 1.940 4.672 1286 1286 A 56 LYS HBy A 58 LYS H 1.0 1.982 6.792 1287 1287 A 56 LYS HDy A 45 PHE HEx 1.0 1.982 6.766 1288 1288 A 9 LYS HB3 A 80 GLN H 1.0 1.988 6.622 1289 1289 A 9 LYS HB3 A 84 PHE H 1.0 1.994 6.438 1290 1290 A 81 TYR HEx A 74 LEU HBx 1.0 2.000 5.890 1291 1291 A 87 GLN HBx A 88 HIS HD2 1.0 1.998 5.766 1292 1292 A 106 LEU HB3 A 106 LEU H 1.0 1.885 4.197 1293 1293 A 70 ALA HB% A 67 ASP H 1.0 1.670 3.078 1294 1294 A 48 LEU HBy A 49 SER H 1.0 1.947 4.749 1295 1295 A 80 GLN HBx A 81 TYR H 1.0 1.788 3.606 1296 1296 A 23 LEU HBy A 24 SER H 1.0 1.649 3.001 1297 1297 A 23 LEU HBy A 23 LEU H 1.0 1.669 3.079 1298 1298 A 20 THR HG2% A 21 ALA H 1.0 1.758 3.456 1299 1299 A 35 ALA HB% A 36 MET H 1.0 1.784 3.588 1300 1300 A 53 LEU HBy A 50 TRP HD1 1.0 1.999 6.201 1301 1301 A 41 ILE HG1y A 81 TYR HEx 1.0 1.978 5.186 1302 1302 A 57 LYS HGy A 57 LYS H 1.0 1.765 3.493 1303 1303 A 68 ARG HBy A 22 PHE HZ 1.0 1.995 6.403 1304 1304 A 21 ALA HB% A 21 ALA H 1.0 1.658 3.034 1305 1305 A 21 ALA HB% A 89 PHE HDx 1.0 1.999 6.135 1306 1306 A 21 ALA HB% A 25 TYR HDx 1.0 1.832 3.848 1307 1307 A 71 PHE HDx A 40 LEU HBy 1.0 1.998 6.238 1308 1308 A 39 GLN HE22 A 40 LEU HBy 1.0 1.986 5.354 1309 1309 A 66 TYR HDx A 40 LEU HBy 1.0 1.919 4.465 1310 1310 A 32 VAL HGx% A 36 MET H 1.0 1.886 4.204 1311 1311 A 23 LEU HDy% A 22 PHE HZ 1.0 1.939 4.663 1312 1312 A 32 VAL HGx% A 22 PHE HDx 1.0 1.938 4.656 1313 1313 A 41 ILE HG2% A 45 PHE HDx 1.0 1.886 4.206 1314 1314 A 40 LEU HDx% A 39 GLN HE22 1.0 1.593 2.801 1315 1315 A 41 ILE HG2% A 45 PHE HEx 1.0 1.955 7.249 1316 1316 A 41 ILE HG2% A 81 TYR HEx 1.0 1.976 5.158 1317 1317 A 85 ILE HD1% A 22 PHE H 1.0 1.283 1.925 1318 1318 A 82 VAL HGy% A 83 ARG H 1.0 1.782 3.574 1319 1319 A 71 PHE HDx A 40 LEU HDx% 1.0 1.996 5.668 1320 1320 A 44 ALA HB% A 45 PHE HEx 1.0 1.996 5.674 1321 1321 A 40 LEU HDx% A 71 PHE HZ 1.0 1.756 3.448 1322 1322 A 44 ALA HB% A 45 PHE HDx 1.0 1.816 3.762 1323 1323 A 44 ALA HB% A 80 GLN HE22 1.0 1.890 4.232 1324 1324 A 18 ILE HG1y A 18 ILE H 1.0 1.977 5.171 1325 1325 A 68 ARG HGy A 68 ARG H 1.0 1.764 3.486 1326 1326 A 37 ILE HG1x A 22 PHE HDx 1.0 1.989 5.429 1327 1327 A 74 LEU HG A 75 VAL H 1.0 1.960 4.916 1328 1328 A 10 ILE HD1% A 72 PHE HEx 1.0 1.944 4.714 1329 1329 A 18 ILE HD1% A 18 ILE H 1.0 1.476 2.430 1330 1330 A 18 ILE HD1% A 72 PHE HEx 1.0 2.000 6.024 1331 1331 A 26 ALA HB% A 26 ALA H 1.0 1.603 2.835 1332 1332 A 26 ALA HB% A 22 PHE HDx 1.0 1.991 5.465 1333 1333 A 26 ALA HB% A 33 THR H 1.0 1.388 2.186 1334 1334 A 53 LEU HDy% A 50 TRP HD1 1.0 1.915 4.437 1335 1335 A 41 ILE HD1% A 81 TYR HEx 1.0 1.859 4.017 1336 1336 A 75 VAL HGx% A 82 VAL H 1.0 1.820 3.778 1337 1337 A 48 LEU HDy% A 48 LEU H 1.0 1.943 4.711 1338 1338 A 32 VAL HGy% A 66 TYR H 1.0 1.996 6.380 1339 1339 A 32 VAL HGy% A 26 ALA H 1.0 1.830 3.840 1340 1340 A 32 VAL HGy% A 22 PHE HEx 1.0 1.716 3.272 1341 1341 A 32 VAL HGy% A 71 PHE HDx 1.0 1.985 5.313 1342 1342 A 32 VAL HGy% A 22 PHE HDx 1.0 1.888 4.222 1343 1343 A 40 LEU HDy% A 81 TYR HDx 1.0 1.844 3.922 1344 1344 A 40 LEU HDy% A 71 PHE HDx 1.0 2.000 6.068 1345 1345 A 37 ILE HG1y A 66 TYR HDx 1.0 1.996 5.682 1346 1346 A 37 ILE HG1y A 71 PHE HDx 1.0 1.980 6.822 1347 1347 A 74 LEU HDy% A 75 VAL H 1.0 1.990 6.566 1348 1348 A 37 ILE HD1% A 22 PHE HEx 1.0 1.867 4.067 1349 1349 A 37 ILE HD1% A 66 TYR HDx 1.0 1.934 4.606 1350 1350 A 75 VAL HGy% A 71 PHE HZ 1.0 1.834 3.858 1351 1351 A 75 VAL HGy% A 39 GLN HE22 1.0 1.984 5.300 1352 1352 A 66 TYR H A 34 GLU HBy 1.0 1.939 4.665 1353 1353 A 34 GLU H A 64 ASN HBx 1.0 1.974 5.116 1354 1354 A 64 ASN HA A 50 TRP HE1 1.0 1.999 6.169 1355 1355 A 46 PRO HBx A 47 GLY H 1.0 1.952 4.814 1356 1356 A 17 ARG HBy A 18 ILE H 1.0 1.784 3.584 1357 1357 A 48 LEU HBx A 49 SER H 1.0 1.999 5.881 1358 1358 A 27 GLN HGy A 33 THR H 1.0 1.923 4.507 1359 1359 A 15 THR H A 14 ASP HBy 1.0 1.861 4.035 1360 1360 A 38 ASP HBx A 38 ASP H 1.0 1.194 1.726 1361 1361 A 53 LEU HBy A 53 LEU H 1.0 1.709 3.237 1362 1362 A 53 LEU HG A 53 LEU H 1.0 1.992 6.502 1363 1363 A 104 LEU HG A 104 LEU H 1.0 1.977 5.157 1364 1364 A 36 MET HBy A 37 ILE H 1.0 1.949 7.337 1365 1365 A 37 ILE HB A 37 ILE H 1.0 1.594 2.802 1366 1366 A 37 ILE HG1y A 37 ILE H 1.0 2.000 5.940 1367 1367 A 91 CYS HBx A 17 ARG H 1.0 1.823 3.797 1368 1368 A 91 CYS HBx A 92 ALA H 1.0 1.997 5.671 1369 1369 A 18 ILE HB A 19 LYS H 1.0 1.733 3.347 1370 1370 A 65 GLY H A 64 ASN HBx 1.0 1.976 5.154 1371 1371 A 44 ALA HB% A 44 ALA H 1.0 1.606 2.844 1372 1372 A 22 PHE HBx A 23 LEU H 1.0 1.995 5.619 1373 1373 A 29 GLN HGx A 29 GLN H 1.0 1.252 1.856 1374 1374 A 27 GLN HBy A 29 GLN H 1.0 1.079 1.491 1375 1375 A 36 MET HBx A 36 MET H 1.0 1.313 1.999 1376 1376 A 86 ALA HB% A 87 GLN H 1.0 1.803 3.683 1377 1377 A 26 ALA HB% A 27 GLN H 1.0 1.362 2.120 1378 1378 A 84 PHE HB3 A 84 PHE HEx 1.0 1.985 5.331 1379 1379 A 39 GLN HGy A 84 PHE HEx 1.0 1.998 5.784 1380 1380 A 87 GLN HBx A 88 HIS H 1.0 1.788 3.610 1381 1381 A 20 THR HG2% A 89 PHE HEx 1.0 1.471 2.415 1382 1382 A 85 ILE HG13 A 84 PHE HDx 1.0 1.920 4.476 1383 1383 A 72 PHE HDx A 72 PHE HBy 1.0 1.998 5.778 1384 1384 A 18 ILE HG2% A 72 PHE HDx 1.0 1.664 3.056 1385 1385 A 32 VAL HGy% A 22 PHE HZ 1.0 1.789 3.613 1386 1386 A 74 LEU HDx% A 81 TYR HDx 1.0 1.821 3.785 1387 1387 A 57 LYS HGx A 57 LYS H 1.0 1.778 3.558 1388 1388 A 31 LYS HEy A 27 GLN HE21 1.0 2.000 5.924 1389 1389 A 71 PHE HDx A 68 ARG HA 1.0 1.915 7.737 1390 1390 A 75 VAL HGy% A 71 PHE HDx 1.0 1.989 5.421 1391 1391 A 27 GLN HE22 A 31 LYS HB3 1.0 1.905 4.349 1392 1392 A 26 ALA HB% A 27 GLN HE22 1.0 1.998 5.728 1393 1393 A 85 ILE HD1% A 39 GLN HE22 1.0 1.975 5.133 1394 1394 A 74 LEU HDx% A 45 PHE HZ 1.0 1.986 5.358 1395 1395 A 31 LYS HB3 A 29 GLN HE22 1.0 1.897 4.285 1396 1396 A 39 GLN HE22 A 40 LEU HG 1.0 1.995 5.599 1397 1397 A 80 GLN HBx A 80 GLN HE22 1.0 1.869 4.083 1398 1398 A 75 VAL HA A 81 TYR HEx 1.0 1.998 6.240 1399 1399 A 74 LEU HDx% A 81 TYR HEx 1.0 1.809 3.723 1400 1400 A 71 PHE HBx A 22 PHE HDx 1.0 1.963 4.957 1401 1401 A 71 PHE HBy A 22 PHE HDx 1.0 1.971 5.065 1402 1402 A 22 PHE HDx A 25 TYR HBx 1.0 1.977 5.163 1403 1403 A 88 HIS HBy A 88 HIS HD2 1.0 1.876 4.132 1404 1404 A 67 ASP HBx A 67 ASP HA 1.0 1.732 3.338 1405 1405 A 67 ASP HBy A 67 ASP HA 1.0 1.636 2.950 1406 1406 A 31 LYS HGx A 67 ASP HA 1.0 1.960 7.168 1407 1407 A 31 LYS HGy A 67 ASP HA 1.0 1.820 3.780 1408 1408 A 31 LYS HDx A 67 ASP HA 1.0 1.987 5.363 1409 1409 A 68 ARG HDy A 67 ASP HA 1.0 1.941 7.433 1410 1410 A 89 PHE HA A 90 PRO HGx 1.0 1.862 8.240 1411 1411 A 23 LEU HA A 31 LYS HA 1.0 1.954 4.838 1412 1412 A 89 PHE HA A 89 PHE HBx 1.0 1.892 4.248 1413 1413 A 31 LYS HA A 31 LYS HB3 1.0 1.745 3.399 1414 1414 A 32 VAL H A 67 ASP HA 1.0 2.000 5.878 1415 1415 A 22 PHE HZ A 67 ASP HA 1.0 1.652 3.010 1416 1416 A 89 PHE HA A 89 PHE HDx 1.0 1.926 4.544 1417 1417 A 89 PHE HA A 88 HIS H 1.0 1.983 6.737 1418 1418 A 31 LYS HA A 31 LYS H 1.0 1.999 5.885 1419 1419 A 31 LYS HA A 22 PHE HEx 1.0 1.866 4.064 1420 1420 A 13 GLU H A 14 ASP H 1.0 1.794 3.638 1421 1421 A 42 CYS H A 43 GLY H 1.0 1.434 2.310 1422 1422 A 28 GLY H A 27 GLN H 1.0 1.378 2.162 1423 1423 A 25 TYR HDx A 25 TYR H 1.0 1.563 2.697 1424 1424 A 12 HIS HD2 A 13 GLU H 1.0 1.996 6.348 1425 1425 A 66 TYR HDx A 67 ASP H 1.0 1.977 6.881 1426 1426 A 84 PHE HEx A 84 PHE HDx 1.0 1.860 4.026 1427 1427 A 39 GLN HE22 A 39 GLN HE21 1.0 1.329 2.037 1428 1428 A 39 GLN HE21 A 84 PHE HEx 1.0 1.996 5.664 1429 1429 A 71 PHE HDx A 22 PHE HDx 1.0 1.985 5.323 1430 1430 A 71 PHE HEx A 22 PHE HDx 1.0 1.761 3.473 1431 1431 A 84 PHE HEx A 88 HIS HD2 1.0 1.984 5.298 1432 1432 A 88 HIS HD2 A 84 PHE HDx 1.0 1.992 5.504 1433 1433 A 66 TYR HDx A 66 TYR HEx 1.0 1.861 4.031 1434 1434 A 22 PHE HDx A 66 TYR HDx 1.0 1.904 4.338 1435 1435 A 39 GLN HE22 A 88 HIS HD2 1.0 1.887 4.213 1436 1436 A 81 TYR HEx A 44 ALA H 1.0 1.939 4.673 1437 1437 A 81 TYR HEx A 45 PHE HDx 1.0 1.990 5.458 1438 1438 A 81 TYR HDx A 81 TYR HEx 1.0 1.798 3.660 1439 1439 A 81 TYR HEx A 45 PHE HEx 1.0 1.840 3.894 1440 1440 A 81 TYR HEx A 41 ILE H 1.0 1.992 6.520 1441 1441 A 48 LEU HBy A 48 LEU HDx% 1.0 1.596 2.808 1442 1442 A 22 PHE HZ A 32 VAL H 1.0 1.966 4.998 1443 1443 A 72 PHE HEx A 18 ILE H 1.0 2.000 6.046 1444 1444 A 24 SER H A 26 ALA H 1.0 1.998 5.756 1445 1445 A 73 SER H A 75 VAL H 1.0 1.966 4.992 1446 1446 A 68 ARG H A 69 SER H 1.0 1.743 3.391 1447 1447 A 35 ALA H A 37 ILE H 1.0 1.678 3.112 1448 1448 A 61 ALA H A 62 ALA H 1.0 1.337 2.057 1449 1449 A 96 GLU H A 97 LYS H 1.0 1.605 2.841 1450 1450 A 102 ASP H A 101 ILE H 1.0 1.483 2.449 1451 1451 A 68 ARG H A 67 ASP H 1.0 1.879 4.157 1452 1452 A 101 ILE H A 100 GLU H 1.0 1.707 3.231 1453 1453 A 102 ASP H A 103 ALA H 1.0 1.470 2.412 1454 1454 A 8 VAL H A 10 ILE H 1.0 1.492 2.474 1455 1455 A 25 TYR H A 26 ALA H 1.0 1.554 2.668 1456 1456 A 80 GLN HE22 A 81 TYR H 1.0 1.990 5.452 1457 1457 A 45 PHE HDx A 45 PHE HEx 1.0 1.784 3.586 1458 1458 A 27 GLN HE22 A 31 LYS H 1.0 1.630 2.928 1459 1459 A 71 PHE HDx A 71 PHE HEx 1.0 1.644 2.982 1460 1460 A 27 GLN HE21 A 29 GLN HE22 1.0 1.558 2.682 1461 1461 A 56 LYS H A 57 LYS H 1.0 1.698 3.194 1462 1462 A 58 LYS H A 57 LYS H 1.0 1.500 2.502 1463 1463 A 50 TRP HZ3 A 54 GLN HE21 1.0 1.647 2.995 1464 1464 A 50 TRP HE3 A 50 TRP HZ3 1.0 1.700 3.200 1465 1465 A 50 TRP HZ3 A 50 TRP HZ2 1.0 1.999 5.871 1466 1466 A 50 TRP HZ2 A 50 TRP HH2 1.0 1.698 3.194 1467 1467 A 112 PHE HDx A 112 PHE HEx 1.0 1.775 3.539 1468 1468 A 54 GLN HE21 A 50 TRP HH2 1.0 1.895 4.273 1469 1469 A 39 GLN HE21 A 84 PHE HDx 1.0 1.749 3.417 1470 1470 A 89 PHE HEx A 24 SER H 1.0 1.991 6.537 1471 1471 A 89 PHE HEx A 20 THR H 1.0 1.998 5.720 1472 1472 A 39 GLN H A 40 LEU H 1.0 1.681 3.123 1473 1473 A 87 GLN H A 88 HIS H 1.0 1.491 2.471 1474 1474 A 89 PHE HDx A 20 THR H 1.0 1.996 5.670 1475 1475 A 78 ASP H A 75 VAL H 1.0 1.974 5.118 1476 1476 A 77 SER H A 78 ASP H 1.0 1.591 2.789 1477 1477 A 81 TYR H A 84 PHE H 1.0 1.834 3.860 1478 1478 A 65 GLY H A 64 ASN HD21 1.0 1.686 3.146 1479 1479 A 60 ARG H A 62 ALA H 1.0 1.913 4.421 1480 1480 A 75 VAL H A 76 ALA H 1.0 1.651 3.009 1481 1481 A 64 ASN HA A 64 ASN HBx 1.0 1.874 4.116 1482 1482 A 46 PRO HGy A 45 PHE HA 1.0 1.267 11.579 1483 1483 A 23 LEU HBx A 30 ASP HA 1.0 1.946 4.736 1484 1484 A 110 LYS HA A 111 GLY HAx 1.0 1.999 6.097 1485 1485 A 110 LYS HA A 110 LYS HEx 1.0 1.737 9.165 1486 1486 A 29 GLN HA A 29 GLN HBy 1.0 1.907 4.367 1487 1487 A 46 PRO HDx A 45 PHE HA 1.0 1.877 4.141 1488 1488 A 46 PRO HDy A 45 PHE HA 1.0 1.708 3.236 1489 1489 A 45 PHE HBx A 45 PHE HA 1.0 1.942 4.694 1490 1490 A 29 GLN HBx A 29 GLN HA 1.0 1.796 3.650 1491 1491 A 45 PHE HBy A 45 PHE HA 1.0 1.329 2.039 1492 1492 A 67 ASP HBy A 66 TYR HA 1.0 1.834 3.860 1493 1493 A 70 ALA HB% A 66 TYR HA 1.0 1.780 3.564 1494 1494 A 110 LYS HA A 110 LYS HGy 1.0 1.991 5.465 1495 1495 A 36 MET HGx A 36 MET HA 1.0 1.970 6.994 1496 1496 A 20 THR HA A 20 THR HB 1.0 1.943 4.707 1497 1497 A 7 MET HBx A 7 MET HA 1.0 1.704 3.216 1498 1498 A 46 PRO HA A 46 PRO HBy 1.0 1.361 2.119 1499 1499 A 45 PHE HBx A 46 PRO HA 1.0 1.882 4.180 1500 1500 A 92 ALA HA A 91 CYS HBy 1.0 1.996 5.648 1501 1501 A 10 ILE HG1x A 10 ILE HA 1.0 1.978 5.188 1502 1502 A 10 ILE HG2% A 10 ILE HA 1.0 1.761 3.473 1503 1503 A 14 ASP HBx A 10 ILE HA 1.0 1.993 5.541 1504 1504 A 102 ASP HBy A 20 THR HB 1.0 1.985 5.341 1505 1505 A 15 THR HG2% A 12 HIS HA 1.0 1.995 5.593 1506 1506 A 84 PHE HB3 A 84 PHE HA 1.0 1.843 3.915 1507 1507 A 17 ARG HBy A 14 ASP HA 1.0 1.913 4.419 1508 1508 A 61 ALA HB% A 61 ALA HA 1.0 1.697 3.187 1509 1509 A 48 LEU HBy A 48 LEU HA 1.0 1.888 4.222 1510 1510 A 9 LYS HB3 A 9 LYS HA 1.0 1.814 3.748 1511 1511 A 9 LYS HGy A 9 LYS HA 1.0 1.982 5.254 1512 1512 A 48 LEU HDx% A 48 LEU HA 1.0 1.889 4.229 1513 1513 A 63 ALA HB% A 63 ALA HA 1.0 1.742 3.386 1514 1514 A 106 LEU HA A 106 LEU HDx% 1.0 1.596 2.806 1515 1515 A 25 TYR HBy A 25 TYR HA 1.0 1.937 4.637 1516 1516 A 70 ALA HB% A 70 ALA HA 1.0 1.607 2.847 1517 1517 A 38 ASP HA A 38 ASP HBy 1.0 1.879 4.149 1518 1518 A 53 LEU HBy A 50 TRP HA 1.0 1.856 3.998 1519 1519 A 35 ALA HA A 38 ASP HBx 1.0 1.784 3.590 1520 1520 A 101 ILE HG2% A 101 ILE HA 1.0 1.700 3.204 1521 1521 A 16 GLN HBy A 16 GLN HA 1.0 1.829 3.833 1522 1522 A 16 GLN HGy A 16 GLN HA 1.0 1.764 3.486 1523 1523 A 57 LYS HA A 57 LYS HGx 1.0 1.806 3.702 1524 1524 A 57 LYS HA A 57 LYS HGy 1.0 1.846 3.932 1525 1525 A 57 LYS HA A 57 LYS HBy 1.0 1.823 3.801 1526 1526 A 81 TYR HBy A 81 TYR HBx 1.0 1.476 2.430 1527 1527 A 17 ARG HDy A 86 ALA HA 1.0 1.730 3.330 1528 1528 A 103 ALA HB% A 16 GLN HA 1.0 1.748 3.414 1529 1529 A 26 ALA HB% A 32 VAL HA 1.0 1.998 5.750 1530 1530 A 32 VAL HGy% A 32 VAL HA 1.0 1.673 3.093 1531 1531 A 19 LYS HGy A 19 LYS HA 1.0 1.804 3.696 1532 1532 A 56 LYS HBx A 56 LYS HA 1.0 1.689 3.153 1533 1533 A 55 GLU HGx A 52 GLN HA 1.0 1.749 3.415 1534 1534 A 74 LEU HA A 74 LEU HBx 1.0 1.628 2.922 1535 1535 A 39 GLN HA A 38 ASP HBy 1.0 1.990 5.444 1536 1536 A 79 GLU HA A 79 GLU HBx 1.0 1.412 2.248 1537 1537 A 79 GLU HA A 9 LYS HB3 1.0 1.593 2.797 1538 1538 A 80 GLN HBx A 80 GLN HA 1.0 1.781 3.573 1539 1539 A 85 ILE HG13 A 85 ILE HA 1.0 1.732 3.342 1540 1540 A 76 ALA HB% A 76 ALA HA 1.0 1.540 2.624 1541 1541 A 34 GLU HA A 34 GLU HBy 1.0 1.520 2.562 1542 1542 A 85 ILE HG2% A 85 ILE HA 1.0 1.749 3.419 1543 1543 A 55 GLU HA A 55 GLU HBy 1.0 1.523 2.569 1544 1544 A 55 GLU HA A 58 LYS HBx 1.0 1.469 2.409 1545 1545 A 34 GLU HA A 34 GLU HGy 1.0 1.772 3.526 1546 1546 A 37 ILE HB A 34 GLU HA 1.0 1.592 2.792 1547 1547 A 37 ILE HG1y A 34 GLU HA 1.0 1.990 6.572 1548 1548 A 37 ILE HD1% A 34 GLU HA 1.0 1.774 8.910 1549 1549 A 19 LYS HBy A 20 THR HA 1.0 1.682 3.128 1550 1550 A 18 ILE HB A 15 THR HA 1.0 1.801 3.675 1551 1551 A 23 LEU HBy A 20 THR HA 1.0 1.983 6.749 1552 1552 A 10 ILE HG2% A 15 THR HA 1.0 1.773 3.529 1553 1553 A 75 VAL HGy% A 72 PHE HA 1.0 1.938 4.650 1554 1554 A 93 PRO HDx A 92 ALA HB% 1.0 1.322 2.020 1555 1555 A 53 LEU HBx A 53 LEU HA 1.0 1.819 3.773 1556 1556 A 53 LEU HBy A 53 LEU HA 1.0 1.847 3.941 1557 1557 A 53 LEU HDx% A 53 LEU HA 1.0 1.883 4.185 1558 1558 A 48 LEU HDx% A 53 LEU HA 1.0 1.946 4.736 1559 1559 A 56 LYS HBy A 53 LEU HA 1.0 1.928 4.550 1560 1560 A 48 LEU HBy A 53 LEU HA 1.0 1.878 4.152 1561 1561 A 41 ILE HG2% A 53 LEU HA 1.0 1.927 7.607 1562 1562 A 56 LYS HBx A 53 LEU HA 1.0 1.625 2.913 1563 1563 A 65 GLY HAx A 57 LYS HEx 1.0 1.954 7.256 1564 1564 A 51 GLU HA A 54 GLN HG3 1.0 1.639 2.963 1565 1565 A 53 LEU HDy% A 54 GLN HA 1.0 1.804 3.692 1566 1566 A 23 LEU HBx A 23 LEU HA 1.0 1.617 2.883 1567 1567 A 54 GLN HA A 57 LYS HDx 1.0 1.711 3.249 1568 1568 A 91 CYS HBy A 17 ARG HDx 1.0 1.849 8.349 1569 1569 A 54 GLN HA A 54 GLN HBy 1.0 1.485 2.455 1570 1570 A 93 PRO HDy A 92 ALA HB% 1.0 1.917 4.453 1571 1571 A 74 LEU HDy% A 41 ILE HA 1.0 1.996 5.634 1572 1572 A 41 ILE HD1% A 41 ILE HA 1.0 1.704 3.220 1573 1573 A 18 ILE HG2% A 18 ILE HA 1.0 1.686 3.146 1574 1574 A 37 ILE HG1y A 37 ILE HA 1.0 1.578 2.748 1575 1575 A 37 ILE HB A 37 ILE HA 1.0 1.694 3.178 1576 1576 A 37 ILE HD1% A 37 ILE HA 1.0 1.573 2.731 1577 1577 A 37 ILE HA A 36 MET HBx 1.0 1.995 5.583 1578 1578 A 18 ILE HA A 20 THR HG2% 1.0 1.999 5.797 1579 1579 A 46 PRO HDy A 46 PRO HDx 1.0 1.436 2.316 1580 1580 A 46 PRO HGy A 46 PRO HDx 1.0 1.981 5.235 1581 1581 A 46 PRO HDx A 46 PRO HBy 1.0 1.968 5.014 1582 1582 A 67 ASP HBy A 67 ASP HBx 1.0 1.334 2.050 1583 1583 A 31 LYS HGy A 67 ASP HBx 1.0 1.941 4.683 1584 1584 A 32 VAL HGy% A 66 TYR HBx 1.0 1.979 5.201 1585 1585 A 82 VAL HGx% A 82 VAL HA 1.0 1.563 2.697 1586 1586 A 86 ALA HB% A 17 ARG HDy 1.0 1.719 3.281 1587 1587 A 83 ARG HDy A 9 LYS HB3 1.0 1.978 5.190 1588 1588 A 75 VAL HA A 74 LEU HG 1.0 1.962 4.942 1589 1589 A 82 VAL HGx% A 75 VAL HA 1.0 1.610 9.920 1590 1590 A 40 LEU HDx% A 75 VAL HA 1.0 1.969 5.037 1591 1591 A 68 ARG HBx A 68 ARG HA 1.0 1.869 4.083 1592 1592 A 18 ILE HD1% A 14 ASP HBx 1.0 1.958 4.880 1593 1593 A 9 LYS HEy A 9 LYS HDy 1.0 1.758 3.460 1594 1594 A 85 ILE HD1% A 22 PHE HBx 1.0 1.589 2.787 1595 1595 A 31 LYS HDx A 31 LYS HEy 1.0 1.360 2.114 1596 1596 A 40 LEU HDx% A 81 TYR HBy 1.0 1.313 1.997 1597 1597 A 32 VAL HGy% A 25 TYR HBx 1.0 1.917 4.457 1598 1598 A 75 VAL HB A 81 TYR HBy 1.0 1.999 6.161 1599 1599 A 48 LEU HDx% A 56 LYS HEx 1.0 1.646 2.988 1600 1600 A 37 ILE HG2% A 57 LYS HEy 1.0 1.572 2.730 1601 1601 A 10 ILE HG2% A 14 ASP HBy 1.0 1.532 2.600 1602 1602 A 8 VAL HGy% A 79 GLU HBx 1.0 1.999 6.135 1603 1603 A 48 LEU HDy% A 48 LEU HG 1.0 1.771 3.525 1604 1604 A 48 LEU HBy A 48 LEU HG 1.0 1.853 3.973 1605 1605 A 80 GLN HBy A 80 GLN HGy 1.0 1.583 2.765 1606 1606 A 40 LEU HDx% A 40 LEU HBx 1.0 1.151 1.637 1607 1607 A 18 ILE HG2% A 18 ILE HB 1.0 1.533 2.599 1608 1608 A 60 ARG HBy A 60 ARG HGx 1.0 1.734 3.348 1609 1609 A 40 LEU HBx A 40 LEU HBy 1.0 1.349 2.087 1610 1610 A 40 LEU HDy% A 40 LEU HBx 1.0 1.861 4.029 1611 1611 A 37 ILE HG1y A 37 ILE HB 1.0 1.840 3.898 1612 1612 A 37 ILE HD1% A 37 ILE HB 1.0 1.721 3.293 1613 1613 A 53 LEU HG A 57 LYS HDx 1.0 1.805 3.701 1614 1614 A 7 MET HGx A 7 MET HBy 1.0 1.970 5.062 1615 1615 A 79 GLU HBx A 78 ASP HBy 1.0 1.920 7.670 1616 1616 A 88 HIS HBy A 88 HIS HBx 1.0 1.286 1.936 1617 1617 A 57 LYS HEx A 34 GLU HBy 1.0 1.996 5.670 1618 1618 A 27 GLN HBy A 29 GLN HGx 1.0 1.039 1.415 1619 1619 A 83 ARG HDy A 79 GLU HGx 1.0 1.433 2.305 1620 1620 A 91 CYS HBx A 16 GLN HBy 1.0 1.689 3.155 1621 1621 A 29 GLN HBx A 29 GLN HBy 1.0 1.236 1.818 1622 1622 A 25 TYR HBy A 25 TYR HBx 1.0 1.336 2.056 1623 1623 A 38 ASP HBy A 38 ASP HBx 1.0 1.261 1.877 1624 1624 A 57 LYS HEx A 57 LYS HEy 1.0 1.171 1.679 1625 1625 A 36 MET HGx A 36 MET HGy 1.0 1.371 2.143 1626 1626 A 81 TYR HBy A 78 ASP HBy 1.0 1.993 6.473 1627 1627 A 78 ASP HBy A 78 ASP HBx 1.0 1.322 2.020 1628 1628 A 39 GLN HGy A 36 MET HGx 1.0 2.000 5.994 1629 1629 A 102 ASP HBy A 91 CYS HBy 1.0 1.992 6.530 1630 1630 A 22 PHE HBx A 22 PHE HA 1.0 1.368 2.134 1631 1631 A 66 TYR HBx A 66 TYR HBy 1.0 1.375 2.153 1632 1632 A 45 PHE HBx A 46 PRO HDx 1.0 1.973 5.093 1633 1633 A 91 CYS HBx A 17 ARG HDx 1.0 1.382 2.170 1634 1634 A 39 GLN HGy A 25 TYR HBy 1.0 1.997 6.277 1635 1635 A 14 ASP HBy A 14 ASP HBx 1.0 1.332 2.044 1636 1636 A 85 ILE HB A 84 PHE HB3 1.0 2.000 6.050 1637 1637 A 36 MET HE% A 25 TYR HBx 1.0 1.981 5.233 1638 1638 A 71 PHE HBy A 32 VAL HB 1.0 1.997 5.691 1639 1639 A 78 ASP HBy A 80 GLN HGy 1.0 1.918 7.698 1640 1640 A 46 PRO HDy A 46 PRO HGy 1.0 1.431 2.301 1641 1641 A 54 GLN HA A 54 GLN HBx 1.0 1.422 2.278 1642 1642 A 46 PRO HDy A 46 PRO HBy 1.0 1.980 5.226 1643 1643 A 56 LYS HEx A 56 LYS HDy 1.0 1.916 4.444 1644 1644 A 83 ARG HDy A 83 ARG HGx 1.0 1.244 1.838 1645 1645 A 57 LYS HBy A 57 LYS HEx 1.0 1.602 2.832 1646 1646 A 60 ARG HGx A 60 ARG HDx 1.0 1.759 3.463 1647 1647 A 81 TYR HBy A 40 LEU HG 1.0 1.966 4.996 1648 1648 A 21 ALA HB% A 89 PHE HBy 1.0 1.966 4.998 1649 1649 A 21 ALA HB% A 21 ALA HA 1.0 1.631 2.935 1650 1650 A 18 ILE HG1y A 18 ILE HA 1.0 1.889 4.233 1651 1651 A 75 VAL HGx% A 81 TYR HBy 1.0 1.574 2.734 1652 1652 A 32 VAL HGy% A 66 TYR HBy 1.0 1.999 5.791 1653 1653 A 32 VAL HGy% A 22 PHE HA 1.0 1.871 4.099 1654 1654 A 32 VAL HGy% A 22 PHE HBx 1.0 1.989 6.585 1655 1655 A 40 LEU HDy% A 78 ASP HBy 1.0 1.995 6.407 1656 1656 A 37 ILE HD1% A 71 PHE HBy 1.0 2.000 5.944 1657 1657 A 75 VAL HGy% A 75 VAL HA 1.0 1.732 3.336 1658 1658 A 75 VAL HGy% A 78 ASP HBy 1.0 1.976 6.896 1659 1659 A 45 PHE HBy A 46 PRO HDx 1.0 1.782 3.578 1660 1660 A 71 PHE HBx A 66 TYR HBy 1.0 1.534 2.602 1661 1661 A 46 PRO HDy A 45 PHE HBy 1.0 1.903 4.331 1662 1662 A 75 VAL HA A 78 ASP HBx 1.0 1.563 2.697 1663 1663 A 64 ASN HBy A 64 ASN HBx 1.0 1.204 1.748 1664 1664 A 66 TYR HBx A 57 LYS HEx 1.0 1.936 4.628 1665 1665 A 112 PHE HBx A 110 LYS HEx 1.0 1.822 3.794 1666 1666 A 39 GLN HGy A 84 PHE HB3 1.0 1.999 5.891 1667 1667 A 82 VAL HB A 9 LYS HB3 1.0 1.859 4.015 1668 1668 A 56 LYS HBx A 56 LYS HBy 1.0 1.278 1.914 1669 1669 A 57 LYS HEy A 57 LYS HDx 1.0 1.701 3.209 1670 1670 A 10 ILE HG1x A 82 VAL HB 1.0 1.901 4.323 1671 1671 A 85 ILE HG13 A 85 ILE HB 1.0 1.596 2.808 1672 1672 A 103 ALA HB% A 16 GLN HGy 1.0 1.532 2.596 1673 1673 A 56 LYS HBx A 57 LYS HGx 1.0 1.975 5.125 1674 1674 A 53 LEU HG A 57 LYS HEy 1.0 1.918 4.460 1675 1675 A 32 VAL HGx% A 36 MET HGy 1.0 1.806 8.688 1676 1676 A 85 ILE HG2% A 85 ILE HB 1.0 1.581 2.757 1677 1677 A 18 ILE HG1y A 18 ILE HG1x 1.0 1.442 2.334 1678 1678 A 18 ILE HD1% A 14 ASP HBy 1.0 1.989 5.427 1679 1679 A 18 ILE HD1% A 82 VAL HB 1.0 1.848 3.952 1680 1680 A 48 LEU HDx% A 48 LEU HG 1.0 1.636 2.952 1681 1681 A 48 LEU HBx A 48 LEU HDx% 1.0 1.790 3.616 1682 1682 A 26 ALA HB% A 36 MET HBx 1.0 1.945 4.725 1683 1683 A 32 VAL HGy% A 32 VAL HB 1.0 1.585 2.773 1684 1684 A 94 GLU HBy A 94 GLU HBx 1.0 1.604 2.836 1685 1685 A 36 MET HBy A 36 MET HGy 1.0 1.785 3.589 1686 1686 A 27 GLN HBy A 29 GLN HBx 1.0 1.744 3.394 1687 1687 A 25 TYR HBy A 36 MET HGy 1.0 1.234 1.816 1688 1688 A 54 GLN HBx A 54 GLN HBy 1.0 1.141 1.615 1689 1689 A 53 LEU HBx A 48 LEU HBy 1.0 1.456 2.372 1690 1690 A 23 LEU HBx A 23 LEU HBy 1.0 1.255 1.863 1691 1691 A 57 LYS HBx A 57 LYS HGx 1.0 1.526 2.578 1692 1692 A 32 VAL HGx% A 36 MET HBy 1.0 1.668 3.072 1693 1693 A 74 LEU HBy A 74 LEU HBx 1.0 1.324 2.026 1694 1694 A 9 LYS HGy A 9 LYS HB3 1.0 1.425 2.285 1695 1695 A 56 LYS HBy A 57 LYS HGx 1.0 1.182 1.702 1696 1696 A 41 ILE HG1x A 41 ILE HG1y 1.0 1.172 1.680 1697 1697 A 82 VAL HGy% A 9 LYS HB3 1.0 1.243 1.835 1698 1698 A 41 ILE HG1x A 53 LEU HDx% 1.0 1.842 3.906 1699 1699 A 37 ILE HG1x A 37 ILE HB 1.0 1.532 2.600 1700 1700 A 18 ILE HG1y A 18 ILE HB 1.0 1.844 3.920 1701 1701 A 53 LEU HDy% A 57 LYS HDx 1.0 1.518 2.556 1702 1702 A 10 ILE HG1x A 10 ILE HG1y 1.0 1.303 1.973 1703 1703 A 74 LEU HDy% A 74 LEU HBy 1.0 1.828 3.824 1704 1704 A 37 ILE HD1% A 36 MET HBy 1.0 1.983 5.295 1705 1705 A 74 LEU HDy% A 74 LEU HBx 1.0 1.344 2.074 1706 1706 A 75 VAL HGy% A 75 VAL HB 1.0 1.576 2.740 1707 1707 A 36 MET HBx A 22 PHE HA 1.0 1.938 4.650 1708 1708 A 75 VAL HGy% A 40 LEU HG 1.0 2.000 5.958 1709 1709 A 32 VAL HGx% A 37 ILE HD1% 1.0 1.229 1.803 1710 1710 A 74 LEU HDy% A 40 LEU HG 1.0 1.958 7.208 1711 1711 A 74 LEU HDy% A 41 ILE HG1y 1.0 1.894 4.260 1712 1712 A 37 ILE HD1% A 40 LEU HBy 1.0 1.930 4.578 1713 1713 A 32 VAL HGx% A 37 ILE HG1y 1.0 1.999 5.835 1714 1714 A 40 LEU HDy% A 40 LEU HG 1.0 1.634 2.942 1715 1715 A 40 LEU HDy% A 41 ILE HG1y 1.0 1.753 3.437 1716 1716 A 37 ILE HG2% A 37 ILE HG1y 1.0 1.663 3.053 1717 1717 A 32 VAL HGy% A 37 ILE HG1x 1.0 1.972 5.068 1718 1718 A 41 ILE HD1% A 41 ILE HG1y 1.0 1.410 2.244 1719 1719 A 53 LEU HDy% A 53 LEU HDx% 1.0 1.480 2.442 1720 1720 A 10 ILE HG2% A 75 VAL HGx% 1.0 1.972 5.070 1721 1721 A 68 ARG HBx A 68 ARG HGy 1.0 1.738 3.368 1722 1722 A 10 ILE HD1% A 10 ILE HG1y 1.0 1.423 2.281 1723 1723 A 18 ILE HD1% A 15 THR HG2% 1.0 1.659 3.037 1724 1724 A 26 ALA HB% A 33 THR HG2% 1.0 1.910 4.394 1725 1725 A 101 ILE HG1y A 101 ILE HD1% 1.0 1.186 1.710 1726 1726 A 53 LEU HG A 53 LEU HDx% 1.0 1.393 2.199 1727 1727 A 103 ALA HB% A 104 LEU HDy% 1.0 1.476 2.430 1728 1728 A 10 ILE HG2% A 15 THR HG2% 1.0 1.680 3.120 1729 1729 A 68 ARG HBx A 23 LEU HDy% 1.0 1.380 2.164 1730 1730 A 40 LEU HDx% A 40 LEU HG 1.0 1.345 2.079 1731 1731 A 82 VAL HGx% A 10 ILE HG1y 1.0 1.392 2.198 1732 1732 A 40 LEU HDy% A 40 LEU HBy 1.0 1.728 3.322 1733 1733 A 85 ILE HG2% A 21 ALA HB% 1.0 1.267 1.891 1734 1734 A 32 VAL HGy% A 32 VAL HGx% 1.0 1.527 2.583 1735 1735 A 75 VAL HGy% A 40 LEU HDx% 1.0 1.572 2.726 1736 1736 A 18 ILE HG2% A 75 VAL HGy% 1.0 1.924 4.522 1737 1737 A 75 VAL HGy% A 75 VAL HGx% 1.0 1.204 1.748 1738 1738 A 32 VAL HGy% A 37 ILE HG1y 1.0 1.968 5.014 1739 1739 A 37 ILE HD1% A 37 ILE HG1y 1.0 1.305 1.979 1740 1740 A 65 GLY HAx A 31 LYS HEy 1.0 1.630 2.930 1741 1741 A 24 SER HBy A 24 SER HA 1.0 1.298 1.962 1742 1742 A 72 PHE HA A 72 PHE HBy 1.0 1.463 2.391 1743 1743 A 43 GLY HAx A 43 GLY HAy 1.0 1.351 2.091 1744 1744 A 71 PHE HBx A 68 ARG HA 1.0 1.797 3.655 1745 1745 A 14 ASP HBx A 17 ARG HDx 1.0 1.884 4.192 1746 1746 A 17 ARG HDy A 17 ARG HDx 1.0 1.488 2.464 1747 1747 A 112 PHE HBy A 112 PHE HA 1.0 1.887 4.207 1748 1748 A 15 THR HA A 72 PHE HEx 1.0 1.988 6.636 1749 1749 A 36 MET HBy A 36 MET HA 1.0 1.895 4.271 1750 1750 A 85 ILE HD1% A 71 PHE HZ 1.0 1.719 3.283 1751 1751 A 32 VAL HGx% A 36 MET HBx 1.0 1.621 2.899 1752 1752 A 37 ILE HB A 38 ASP H 1.0 1.679 3.115 1753 1753 A 41 ILE HG1x A 38 ASP HA 1.0 1.918 4.460 1754 1754 A 56 LYS HA A 57 LYS H 1.0 1.806 3.706 1755 1755 A 38 ASP HA A 38 ASP HBx 1.0 1.922 4.496 1756 1756 A 31 LYS HA A 32 VAL H 1.0 1.645 2.983 1757 1757 A 32 VAL HGy% A 37 ILE HD1% 1.0 1.683 3.131 1758 1758 A 37 ILE HD1% A 75 VAL HGy% 1.0 1.980 5.226 1759 1759 A 37 ILE HD1% A 37 ILE HG1x 1.0 1.685 3.143 1760 1760 A 50 TRP HE1 A 50 TRP HZ2 1.0 1.845 3.923 1761 1761 A 100 GLU HBx A 100 GLU HGx 1.0 1.207 1.755 1762 1761 A 95 GLU HBx A 95 GLU HGx 1.0 1.207 1.755 1763 1762 A 46 PRO HBx A 46 PRO HBy 1.0 1.149 1.633 1764 1762 A 36 MET HBy A 36 MET HBx 1.0 1.149 1.633 1765 1763 A 109 GLN HBy A 109 GLN HGy 1.0 1.397 2.209 1766 1763 A 94 GLU HGy A 94 GLU HBy 1.0 1.397 2.209 1767 1764 A 41 ILE HG2% A 48 LEU HDx% 1.0 1.376 2.156 1768 1764 A 10 ILE HG2% A 10 ILE HD1% 1.0 1.376 2.156 1769 1765 A 99 PRO HBx A 99 PRO HGy 1.0 1.456 2.374 1770 1765 A 90 PRO HBy A 90 PRO HGx 1.0 1.456 2.374 1771 1766 A 59 GLY HAy A 59 GLY HAx 1.0 1.448 2.348 1772 1766 A 47 GLY HAy A 47 GLY HAx 1.0 1.448 2.348 1773 1767 A 18 ILE HD1% A 82 VAL HGx% 1.0 1.521 2.565 1774 1767 A 18 ILE HD1% A 82 VAL HGy% 1.0 1.521 2.565 1775 1768 A 93 PRO HDx A 93 PRO HGx 1.0 1.531 2.593 1776 1768 A 90 PRO HDx A 90 PRO HGx 1.0 1.531 2.593 1777 1769 A 82 VAL HGx% A 10 ILE HG1x 1.0 1.563 2.697 1778 1769 A 10 ILE HG1x A 82 VAL HGy% 1.0 1.563 2.697 1779 1770 A 105 GLU HA A 105 GLU HGy 1.0 1.718 3.280 1780 1770 A 96 GLU HA A 96 GLU HGy 1.0 1.718 3.280 1781 1770 A 94 GLU HGy A 94 GLU HA 1.0 1.718 3.280 1782 1771 A 10 ILE HG2% A 103 ALA HB% 1.0 1.797 3.655 1783 1771 A 32 VAL HGx% A 61 ALA HB% 1.0 1.797 3.655 1784 1772 A 101 ILE HD1% A 100 GLU HGx 1.0 1.846 3.930 1785 1772 A 101 ILE HG2% A 100 GLU HGx 1.0 1.846 3.930 1786 1773 A 74 LEU HDx% A 40 LEU HG 1.0 1.840 3.898 1787 1773 A 53 LEU HBy A 48 LEU HDx% 1.0 1.840 3.898 1788 1774 A 54 GLN HG3 A 54 GLN H 1.0 1.740 3.376 1789 1774 A 54 GLN HG3 A 55 GLU H 1.0 1.740 3.376 1790 1775 A 61 ALA HB% A 57 LYS HGy 1.0 1.885 4.197 1791 1775 A 62 ALA HB% A 61 ALA HB% 1.0 1.885 4.197 1792 1776 A 83 ARG HBx A 83 ARG H 1.0 1.729 3.327 1793 1776 A 95 GLU H A 95 GLU HBy 1.0 1.729 3.327 1794 1777 A 106 LEU HG A 106 LEU HDy% 1.0 1.708 3.236 1795 1777 A 104 LEU HG A 104 LEU HDy% 1.0 1.708 3.236 1796 1778 A 49 SER HBx A 49 SER HBy 1.0 1.631 2.933 1797 1778 A 11 SER HBy A 11 SER HBx 1.0 1.631 2.933 1798 1779 A 80 GLN HBy A 80 GLN HE22 1.0 1.996 5.634 1799 1779 A 41 ILE HG1y A 45 PHE HEx 1.0 1.996 5.634 1800 1780 A 10 ILE HB A 10 ILE HG1y 1.0 1.699 3.195 1801 1780 A 97 LYS HB3 A 97 LYS HG3 1.0 1.699 3.195 1802 1781 A 85 ILE HG2% A 21 ALA H 1.0 1.857 4.007 1803 1781 A 85 ILE HG2% A 22 PHE H 1.0 1.857 4.007 1804 1782 A 90 PRO HA A 90 PRO HGx 1.0 1.936 4.640 1805 1782 A 46 PRO HGy A 46 PRO HA 1.0 1.936 4.640 1806 1783 A 15 THR HG2% A 104 LEU HDx% 1.0 1.808 3.716 1807 1783 A 82 VAL HGx% A 15 THR HG2% 1.0 1.808 3.716 1808 1784 A 37 ILE HG2% A 38 ASP HBx 1.0 1.933 4.603 1809 1784 A 48 LEU HDy% A 45 PHE HBy 1.0 1.933 4.603 1810 1785 A 18 ILE HG2% A 22 PHE HA 1.0 1.913 4.411 1811 1785 A 26 ALA HB% A 22 PHE HA 1.0 1.913 4.411 1812 1786 A 96 GLU HBx A 96 GLU HA 1.0 1.837 3.879 1813 1786 A 95 GLU HBx A 95 GLU HA 1.0 1.837 3.879 1814 1787 A 55 GLU HGx A 56 LYS HGy 1.0 1.912 4.412 1815 1787 A 101 ILE HG1y A 100 GLU HGx 1.0 1.912 4.412 1816 1788 A 41 ILE HD1% A 57 LYS HGy 1.0 1.871 4.099 1817 1788 A 53 LEU HDy% A 57 LYS HGy 1.0 1.871 4.099 1818 1789 A 58 LYS HA A 58 LYS HBx 1.0 1.811 3.729 1819 1789 A 56 LYS HA A 56 LYS HBy 1.0 1.811 3.729 1820 1790 A 27 GLN HA A 27 GLN H 1.0 1.862 4.034 1821 1790 A 87 GLN HA A 87 GLN H 1.0 1.862 4.034 1822 1791 A 105 GLU HBx A 105 GLU HA 1.0 1.824 3.802 1823 1791 A 95 GLU HBx A 95 GLU HA 1.0 1.824 3.802 1824 1792 A 44 ALA HB% A 40 LEU HA 1.0 1.981 5.241 1825 1792 A 44 ALA HB% A 80 GLN HA 1.0 1.981 5.241 1826 1793 A 37 ILE HG2% A 57 LYS HBx 1.0 1.958 4.888 1827 1793 A 41 ILE HD1% A 57 LYS HBx 1.0 1.958 4.888 1828 1794 A 41 ILE HG1y A 40 LEU H 1.0 1.936 4.632 1829 1794 A 40 LEU HG A 44 ALA H 1.0 1.936 4.632 1830 1794 A 40 LEU HG A 40 LEU H 1.0 1.936 4.632 1831 1795 A 82 VAL HGx% A 81 TYR HBy 1.0 1.948 4.760 1832 1795 A 32 VAL HGx% A 25 TYR HBx 1.0 1.948 4.760 1833 1796 A 54 GLN HBx A 54 GLN H 1.0 1.918 4.460 1834 1796 A 54 GLN HBx A 55 GLU H 1.0 1.918 4.460 1835 1797 A 96 GLU H A 95 GLU HA 1.0 1.855 3.987 1836 1797 A 109 GLN HA A 110 LYS H 1.0 1.855 3.987 1837 1798 A 99 PRO HBx A 99 PRO HDx 1.0 1.973 5.101 1838 1798 A 93 PRO HDx A 93 PRO HBx 1.0 1.973 5.101 1839 1799 A 82 VAL HGx% A 79 GLU HA 1.0 1.868 4.078 1840 1799 A 79 GLU HA A 8 VAL HGy% 1.0 1.868 4.078 1841 1800 A 107 LYS H A 106 LEU HG 1.0 1.968 5.028 1842 1800 A 10 ILE HG1x A 10 ILE H 1.0 1.968 5.028 1843 1801 A 100 GLU HA A 100 GLU HBy 1.0 1.909 4.387 1844 1801 A 95 GLU HBy A 95 GLU HA 1.0 1.909 4.387 1845 1801 A 94 GLU HA A 94 GLU HBy 1.0 1.909 4.387 1846 1802 A 40 LEU HDy% A 40 LEU HA 1.0 1.975 5.135 1847 1802 A 40 LEU HDy% A 71 PHE HA 1.0 1.975 5.135 1848 1803 A 53 LEU HDy% A 34 GLU HGy 1.0 1.968 5.026 1849 1803 A 37 ILE HG2% A 34 GLU HGy 1.0 1.968 5.026 1850 1804 A 85 ILE HD1% A 21 ALA HA 1.0 1.963 4.955 1851 1804 A 85 ILE HD1% A 81 TYR HBy 1.0 1.963 4.955 1852 1805 A 66 TYR HBx A 70 ALA HB% 1.0 1.994 5.562 1853 1805 A 31 LYS HDx A 66 TYR HBx 1.0 1.994 5.562 1854 1806 A 75 VAL HGy% A 85 ILE HB 1.0 1.986 5.338 1855 1806 A 75 VAL HGy% A 18 ILE HG1x 1.0 1.986 5.338 1856 1807 A 23 LEU HBx A 68 ARG HDy 1.0 1.998 5.748 1857 1807 A 23 LEU HBx A 30 ASP HBx 1.0 1.998 5.748 1858 1808 A 17 ARG HBy A 21 ALA H 1.0 2.000 5.982 1859 1808 A 94 GLU H A 95 GLU HBx 1.0 2.000 5.982 1860 1809 A 8 VAL HGy% A 8 VAL HA 1.0 1.966 4.990 1861 1809 A 101 ILE HG2% A 101 ILE HA 1.0 1.966 4.990 1862 1810 A 53 LEU HBx A 50 TRP HA 1.0 1.999 5.853 1863 1810 A 42 CYS HA A 46 PRO HBy 1.0 1.999 5.853 1864 1811 A 71 PHE HA A 70 ALA HB% 1.0 1.992 5.494 1865 1811 A 71 PHE HA A 74 LEU HBx 1.0 1.992 5.494 1866 1812 A 37 ILE HD1% A 71 PHE HA 1.0 1.999 5.819 1867 1812 A 37 ILE HD1% A 32 VAL HA 1.0 1.999 5.819 1868 1813 A 62 ALA HB% A 70 ALA HB% 1.0 2.000 5.936 1869 1813 A 57 LYS HBy A 62 ALA HB% 1.0 2.000 5.936 1870 1814 A 41 ILE HD1% A 56 LYS H 1.0 1.946 7.376 1871 1814 A 41 ILE HD1% A 44 ALA H 1.0 1.946 7.376 1872 1814 A 41 ILE HD1% A 43 GLY H 1.0 1.946 7.376 1873 1815 A 35 ALA HB% A 38 ASP HBx 1.0 1.983 6.749 1874 1815 A 61 ALA HB% A 66 TYR HBy 1.0 1.983 6.749 1875 1816 A 109 GLN HA A 109 GLN HGy 1.0 2.000 6.020 1876 1816 A 105 GLU HA A 105 GLU HGy 1.0 2.000 6.020 1877 1816 A 96 GLU HA A 96 GLU HGy 1.0 2.000 6.020 1878 1817 A 72 PHE HBy A 19 LYS HA 1.0 1.898 7.910 1879 1817 A 72 PHE HBy A 73 SER HA 1.0 1.898 7.910 1880 1818 A 10 ILE HG2% A 14 ASP H 1.0 1.848 8.354 1881 1818 A 85 ILE HG2% A 17 ARG H 1.0 1.848 8.354 1882 1819 A 37 ILE HG1x A 31 LYS HEy 1.0 1.752 9.062 1883 1819 A 9 LYS HEy A 10 ILE HD1% 1.0 1.752 9.062 1884 1820 A 68 ARG HDy A 15 THR HG2% 1.0 1.424 10.870 1885 1820 A 15 THR HG2% A 81 TYR HBy 1.0 1.424 10.870 1886 1821 A 99 PRO HA A 101 ILE HA 1.0 1.315 11.367 1887 1821 A 99 PRO HA A 97 LYS HA 1.0 1.315 11.367 1888 1822 A 85 ILE HG2% A 19 LYS H 1.0 1.957 7.209 1889 1822 A 41 ILE HG2% A 45 PHE H 1.0 1.957 7.209 1890 1823 A 14 ASP HBx A 104 LEU HDy% 1.0 1.988 6.640 1891 1823 A 53 LEU HDx% A 43 GLY HAx 1.0 1.988 6.640 1892 1824 A 62 ALA HB% A 57 LYS HGx 1.0 1.942 7.422 1893 1824 A 57 LYS HGx A 63 ALA HB% 1.0 1.942 7.422 1894 1825 A 17 ARG HDx A 103 ALA HB% 1.0 1.995 6.387 1895 1825 A 18 ILE HA A 103 ALA HB% 1.0 1.995 6.387 1896 1826 A 23 LEU HDx% A 103 ALA HB% 1.0 1.924 4.516 1897 1826 A 10 ILE HG2% A 103 ALA HB% 1.0 1.924 4.516 1898 1827 A 106 LEU HB3 A 106 LEU HDy% 1.0 1.808 3.714 1899 1827 A 104 LEU HBy A 104 LEU HDy% 1.0 1.808 3.714 1900 1828 A 93 PRO HDy A 93 PRO HBx 1.0 1.781 3.569 1901 1828 A 90 PRO HDy A 90 PRO HBy 1.0 1.781 3.569 1902 1829 A 56 LYS HBx A 54 GLN H 1.0 1.985 5.315 1903 1829 A 55 GLU HBy A 54 GLN H 1.0 1.985 5.315 1904 1830 A 56 LYS HBx A 53 LEU H 1.0 1.997 5.741 1905 1830 A 51 GLU HBx A 53 LEU H 1.0 1.997 5.741 1906 1831 A 28 GLY HAy A 27 GLN H 1.0 1.532 10.340 1907 1831 A 88 HIS HA A 87 GLN H 1.0 1.532 10.340 1908 1832 A 64 ASN HD22 A 57 LYS HDx 1.0 1.993 6.475 1909 1832 A 57 LYS HBy A 64 ASN HD22 1.0 1.993 6.475 1910 1833 A 109 GLN HBy A 109 GLN H 1.0 1.951 4.807 1911 1833 A 96 GLU H A 96 GLU HBy 1.0 1.951 4.807 1912 1834 A 101 ILE HG2% A 102 ASP H 1.0 1.990 5.446 1913 1834 A 101 ILE HD1% A 102 ASP H 1.0 1.990 5.446 1914 1835 A 44 ALA HB% A 80 GLN H 1.0 1.993 6.491 1915 1835 A 8 VAL HGy% A 80 GLN H 1.0 1.993 6.491 1916 1836 A 73 SER H A 76 ALA H 1.0 1.967 4.997 1917 1836 A 69 SER H A 67 ASP H 1.0 1.967 4.997 1918 1837 A 32 VAL HGx% A 36 MET H 1.0 1.997 5.729 1919 1837 A 23 LEU HDx% A 23 LEU H 1.0 1.997 5.729 1920 1838 A 22 PHE HZ A 71 PHE H 1.0 1.969 5.041 1921 1838 A 66 TYR H A 22 PHE HEx 1.0 1.969 5.041 1922 1839 A 85 ILE HD1% A 85 ILE H 1.0 1.987 5.365 1923 1839 A 85 ILE HG2% A 85 ILE H 1.0 1.987 5.365 1924 1840 A 17 ARG HBy A 92 ALA H 1.0 1.994 5.552 1925 1840 A 13 GLU HBx A 92 ALA H 1.0 1.994 5.552 1926 1841 A 13 GLU HBy A 16 GLN HE21 1.0 1.978 5.186 1927 1841 A 52 GLN HBy A 52 GLN HE21 1.0 1.978 5.186 1928 1842 A 85 ILE HG2% A 19 LYS H 1.0 1.942 4.700 1929 1842 A 85 ILE HD1% A 19 LYS H 1.0 1.942 4.700 1930 1842 A 82 VAL HGy% A 84 PHE H 1.0 1.942 4.700 1931 1843 A 37 ILE HG2% A 41 ILE H 1.0 1.956 4.864 1932 1843 A 41 ILE HD1% A 41 ILE H 1.0 1.956 4.864 1933 1844 A 45 PHE HDx A 43 GLY H 1.0 1.963 4.943 1934 1844 A 84 PHE HEx A 43 GLY H 1.0 1.963 4.943 1935 1845 A 82 VAL HGx% A 81 TYR H 1.0 1.950 4.778 1936 1845 A 44 ALA HB% A 81 TYR H 1.0 1.950 4.778 1937 1846 A 72 PHE HDx A 19 LYS H 1.0 1.972 5.072 1938 1846 A 84 PHE HDx A 84 PHE H 1.0 1.972 5.072 1939 1847 A 91 CYS H A 13 GLU HBx 1.0 1.787 3.599 1940 1847 A 17 ARG HBy A 91 CYS H 1.0 1.787 3.599 1941 1848 A 101 ILE H A 100 GLU HA 1.0 1.875 4.131 1942 1848 A 97 LYS H A 96 GLU HA 1.0 1.875 4.131 1943 1849 A 76 ALA HA A 76 ALA H 1.0 1.677 3.107 1944 1849 A 69 SER HA A 69 SER H 1.0 1.677 3.107 1945 1850 A 96 GLU H A 96 GLU HA 1.0 1.658 3.032 1946 1850 A 96 GLU H A 95 GLU HA 1.0 1.658 3.032 1947 1851 A 29 GLN HA A 29 GLN HE22 1.0 1.921 4.489 1948 1851 A 66 TYR HDx A 66 TYR HA 1.0 1.921 4.489 1949 1852 A 77 SER HA A 77 SER H 1.0 1.871 4.101 1950 1852 A 60 ARG HA A 60 ARG H 1.0 1.871 4.101 1951 1853 A 99 PRO HA A 100 GLU H 1.0 1.710 3.242 1952 1853 A 9 LYS HA A 9 LYS H 1.0 1.710 3.242 1953 1854 A 84 PHE HA A 83 ARG H 1.0 1.990 6.566 1954 1854 A 99 PRO HA A 102 ASP H 1.0 1.990 6.566 1955 1855 A 10 ILE H A 9 LYS HA 1.0 1.971 5.061 1956 1855 A 61 ALA H A 61 ALA HA 1.0 1.971 5.061 1957 1856 A 17 ARG HA A 16 GLN H 1.0 1.985 6.693 1958 1856 A 64 ASN HD21 A 63 ALA HA 1.0 1.985 6.693 1959 1857 A 104 LEU HA A 104 LEU H 1.0 1.685 3.139 1960 1857 A 61 ALA H A 61 ALA HA 1.0 1.685 3.139 1961 1857 A 10 ILE H A 9 LYS HA 1.0 1.685 3.139 1962 1858 A 96 GLU H A 95 GLU HA 1.0 1.769 3.513 1963 1858 A 95 GLU H A 95 GLU HA 1.0 1.769 3.513 1964 1858 A 95 GLU H A 94 GLU HA 1.0 1.769 3.513 1965 1859 A 81 TYR HA A 39 GLN HE22 1.0 1.991 5.457 1966 1859 A 65 GLY HAy A 27 GLN HE22 1.0 1.991 5.457 1967 1860 A 106 LEU HA A 106 LEU H 1.0 1.798 3.660 1968 1860 A 105 GLU HA A 106 LEU H 1.0 1.798 3.660 1969 1860 A 103 ALA HA A 103 ALA H 1.0 1.798 3.660 1970 1861 A 66 TYR HDx A 70 ALA HA 1.0 1.922 7.656 1971 1861 A 65 GLY HAy A 66 TYR HDx 1.0 1.922 7.656 1972 1861 A 28 GLY HAy A 29 GLN HE22 1.0 1.922 7.656 1973 1862 A 107 LYS H A 107 LYS HA 1.0 1.674 3.096 1974 1862 A 105 GLU HA A 105 GLU H 1.0 1.674 3.096 1975 1863 A 94 GLU H A 94 GLU HA 1.0 1.754 3.438 1976 1863 A 70 ALA H A 70 ALA HA 1.0 1.754 3.438 1977 1864 A 100 GLU H A 100 GLU HA 1.0 1.926 4.538 1978 1864 A 96 GLU H A 95 GLU HA 1.0 1.926 4.538 1979 1864 A 95 GLU H A 95 GLU HA 1.0 1.926 4.538 1980 1864 A 95 GLU H A 94 GLU HA 1.0 1.926 4.538 1981 1865 A 101 ILE HA A 16 GLN HE22 1.0 1.998 6.290 1982 1865 A 42 CYS HA A 45 PHE HEx 1.0 1.998 6.290 1983 1866 A 35 ALA HA A 38 ASP H 1.0 1.700 3.202 1984 1866 A 102 ASP H A 101 ILE HA 1.0 1.700 3.202 1985 1867 A 42 CYS HA A 43 GLY H 1.0 1.980 5.232 1986 1867 A 35 ALA HA A 36 MET H 1.0 1.980 5.232 1987 1868 A 73 SER HA A 73 SER H 1.0 1.901 4.321 1988 1868 A 35 ALA HA A 35 ALA H 1.0 1.901 4.321 1989 1869 A 19 LYS HA A 19 LYS H 1.0 1.917 4.455 1990 1869 A 12 HIS H A 11 SER HBy 1.0 1.917 4.455 1991 1870 A 16 GLN HA A 16 GLN H 1.0 1.894 4.268 1992 1870 A 73 SER HBx A 74 LEU H 1.0 1.894 4.268 1993 1871 A 16 GLN HA A 16 GLN H 1.0 1.977 5.165 1994 1871 A 59 GLY HAy A 60 ARG H 1.0 1.977 5.165 1995 1872 A 62 ALA HA A 50 TRP HZ2 1.0 1.997 6.357 1996 1872 A 72 PHE HEx A 19 LYS HA 1.0 1.997 6.357 1997 1872 A 72 PHE HEx A 73 SER HA 1.0 1.997 6.357 1998 1873 A 79 GLU HA A 9 LYS H 1.0 1.999 6.093 1999 1873 A 8 VAL HA A 9 LYS H 1.0 1.999 6.093 2000 1874 A 79 GLU HA A 79 GLU H 1.0 1.988 5.388 2001 1874 A 71 PHE HA A 71 PHE H 1.0 1.988 5.388 2002 1875 A 71 PHE HA A 72 PHE H 1.0 1.978 6.856 2003 1875 A 27 GLN HA A 28 GLY H 1.0 1.978 6.856 2004 1876 A 87 GLN HA A 87 GLN H 1.0 1.702 3.212 2005 1876 A 40 LEU HA A 39 GLN HE21 1.0 1.702 3.212 2006 1877 A 79 GLU HA A 82 VAL H 1.0 1.927 4.549 2007 1877 A 71 PHE HDx A 71 PHE HA 1.0 1.927 4.549 2008 1878 A 40 LEU HA A 40 LEU H 1.0 1.883 4.181 2009 1878 A 56 LYS HA A 56 LYS H 1.0 1.883 4.181 2010 1879 A 39 GLN HA A 39 GLN H 1.0 1.878 4.144 2011 1879 A 85 ILE HA A 88 HIS H 1.0 1.878 4.144 2012 1880 A 74 LEU HA A 81 TYR HEx 1.0 1.955 4.847 2013 1880 A 40 LEU HA A 81 TYR HEx 1.0 1.955 4.847 2014 1881 A 79 GLU HA A 83 ARG H 1.0 1.881 4.165 2015 1881 A 79 GLU HA A 9 LYS H 1.0 1.881 4.165 2016 1882 A 74 LEU HA A 74 LEU H 1.0 1.691 3.167 2017 1882 A 52 GLN H A 52 GLN HA 1.0 1.691 3.167 2018 1883 A 85 ILE HA A 85 ILE H 1.0 1.765 3.493 2019 1883 A 91 CYS HA A 91 CYS H 1.0 1.765 3.493 2020 1884 A 85 ILE HA A 87 GLN H 1.0 1.856 3.998 2021 1884 A 89 PHE HDx A 91 CYS HA 1.0 1.856 3.998 2022 1885 A 85 ILE HA A 84 PHE HDx 1.0 2.000 6.124 2023 1885 A 80 GLN HA A 80 GLN HE21 1.0 2.000 6.124 2024 1886 A 55 GLU HA A 55 GLU H 1.0 1.868 4.078 2025 1886 A 52 GLN HE21 A 52 GLN HA 1.0 1.868 4.078 2026 1887 A 26 ALA HA A 27 GLN HE22 1.0 1.999 5.857 2027 1887 A 52 GLN HE22 A 55 GLU HA 1.0 1.999 5.857 2028 1888 A 26 ALA HA A 27 GLN H 1.0 1.921 4.483 2029 1888 A 26 ALA HA A 36 MET H 1.0 1.921 4.483 2030 1889 A 20 THR HA A 21 ALA H 1.0 1.568 10.148 2031 1889 A 93 PRO HDx A 94 GLU H 1.0 1.568 10.148 2032 1890 A 24 SER HBy A 25 TYR H 1.0 1.996 5.652 2033 1890 A 100 GLU H A 99 PRO HDx 1.0 1.996 5.652 2034 1891 A 90 PRO HDx A 89 PHE HEx 1.0 1.873 8.141 2035 1891 A 72 PHE HA A 72 PHE HEx 1.0 1.873 8.141 2036 1892 A 23 LEU HA A 27 GLN H 1.0 1.986 5.360 2037 1892 A 51 GLU HA A 50 TRP HE3 1.0 1.986 5.360 2038 1893 A 103 ALA H A 99 PRO HDy 1.0 1.835 8.467 2039 1893 A 105 GLU H A 99 PRO HDy 1.0 1.835 8.467 2040 1893 A 54 GLN HA A 61 ALA H 1.0 1.835 8.467 2041 1893 A 10 ILE H A 17 ARG HDx 1.0 1.835 8.467 2042 1894 A 17 ARG HDx A 17 ARG H 1.0 1.993 6.449 2043 1894 A 37 ILE HA A 37 ILE H 1.0 1.993 6.449 2044 1895 A 43 GLY HAy A 43 GLY H 1.0 1.782 3.574 2045 1895 A 44 ALA HA A 44 ALA H 1.0 1.782 3.574 2046 1896 A 37 ILE HA A 39 GLN H 1.0 1.998 5.706 2047 1896 A 41 ILE HA A 45 PHE HDx 1.0 1.998 5.706 2048 1897 A 37 ILE HA A 22 PHE HEx 1.0 0.000 41.272 2049 1897 A 71 PHE HZ A 18 ILE HA 1.0 0.000 41.272 2050 1898 A 75 VAL HA A 81 TYR HDx 1.0 1.999 6.091 2051 1898 A 72 PHE HDx A 72 PHE HBy 1.0 1.999 6.091 2052 1899 A 112 PHE HBx A 112 PHE H 1.0 1.895 4.271 2053 1899 A 43 GLY HAx A 44 ALA H 1.0 1.895 4.271 2054 1900 A 91 CYS HBy A 17 ARG H 1.0 1.959 4.897 2055 1900 A 45 PHE HBy A 45 PHE H 1.0 1.959 4.897 2056 1901 A 38 ASP HBx A 39 GLN H 1.0 1.866 4.064 2057 1901 A 45 PHE HBy A 45 PHE HDx 1.0 1.866 4.064 2058 1902 A 81 TYR HBy A 82 VAL H 1.0 1.994 5.588 2059 1902 A 71 PHE HDx A 66 TYR HBy 1.0 1.994 5.588 2060 1903 A 22 PHE HA A 23 LEU H 1.0 1.967 4.995 2061 1903 A 91 CYS HBy A 16 GLN HE21 1.0 1.967 4.995 2062 1904 A 22 PHE HA A 25 TYR H 1.0 1.938 4.658 2063 1904 A 67 ASP HBy A 68 ARG H 1.0 1.938 4.658 2064 1905 A 78 ASP HBx A 45 PHE HZ 1.0 1.996 6.348 2065 1905 A 39 GLN HE22 A 22 PHE HA 1.0 1.996 6.348 2066 1906 A 51 GLU HGy A 50 TRP HZ3 1.0 1.979 5.185 2067 1906 A 39 GLN HBy A 84 PHE HDx 1.0 1.979 5.185 2068 1907 A 27 GLN HGy A 27 GLN H 1.0 1.909 4.387 2069 1907 A 39 GLN HBy A 40 LEU H 1.0 1.909 4.387 2070 1908 A 39 GLN HBy A 38 ASP H 1.0 1.997 6.291 2071 1908 A 79 GLU HGx A 83 ARG H 1.0 1.997 6.291 2072 1909 A 55 GLU HGx A 53 LEU H 1.0 1.996 6.348 2073 1909 A 102 ASP H A 100 GLU HGx 1.0 1.996 6.348 2074 1910 A 18 ILE HG1x A 19 LYS H 1.0 1.974 5.110 2075 1910 A 85 ILE HB A 84 PHE H 1.0 1.974 5.110 2076 1911 A 85 ILE HB A 87 GLN H 1.0 1.973 5.091 2077 1911 A 88 HIS HBy A 87 GLN H 1.0 1.973 5.091 2078 1912 A 48 LEU HG A 49 SER H 1.0 2.000 5.882 2079 1912 A 36 MET HE% A 33 THR H 1.0 2.000 5.882 2080 1913 A 96 GLU HBx A 96 GLU H 1.0 0.000 119.238 2081 1913 A 79 GLU HBx A 9 LYS H 1.0 0.000 119.238 2082 1914 A 36 MET HE% A 39 GLN HE21 1.0 1.990 5.438 2083 1914 A 88 HIS HBy A 87 GLN H 1.0 1.990 5.438 2084 1915 A 36 MET HE% A 66 TYR HDx 1.0 1.999 5.787 2085 1915 A 48 LEU HG A 45 PHE HEx 1.0 1.999 5.787 2086 1916 A 88 HIS HBy A 84 PHE HDx 1.0 1.955 4.847 2087 1916 A 36 MET HE% A 84 PHE HDx 1.0 1.955 4.847 2088 1917 A 96 GLU HBx A 96 GLU H 1.0 1.985 5.317 2089 1917 A 95 GLU HBx A 95 GLU H 1.0 1.985 5.317 2090 1918 A 109 GLN HBy A 109 GLN H 1.0 1.951 4.789 2091 1918 A 96 GLU HBx A 96 GLU H 1.0 1.951 4.789 2092 1919 A 48 LEU HBx A 49 SER H 1.0 1.989 5.429 2093 1919 A 32 VAL HB A 33 THR H 1.0 1.989 5.429 2094 1920 A 96 GLU H A 96 GLU HBy 1.0 1.964 4.956 2095 1920 A 83 ARG HBx A 83 ARG H 1.0 1.964 4.956 2096 1920 A 109 GLN HBy A 109 GLN H 1.0 1.964 4.956 2097 1920 A 95 GLU H A 95 GLU HBy 1.0 1.964 4.956 2098 1921 A 100 GLU H A 100 GLU HBy 1.0 1.964 4.970 2099 1921 A 95 GLU H A 95 GLU HBy 1.0 1.964 4.970 2100 1921 A 95 GLU H A 94 GLU HBy 1.0 1.964 4.970 2101 1922 A 36 MET HBy A 39 GLN H 1.0 1.814 3.748 2102 1922 A 18 ILE HB A 72 PHE HEx 1.0 1.814 3.748 2103 1923 A 40 LEU HBx A 40 LEU H 1.0 1.733 3.343 2104 1923 A 56 LYS HBy A 56 LYS H 1.0 1.733 3.343 2105 1924 A 101 ILE HB A 104 LEU H 1.0 1.882 4.180 2106 1924 A 101 ILE HB A 103 ALA H 1.0 1.882 4.180 2107 1925 A 52 GLN HE22 A 56 LYS HDy 1.0 1.987 5.375 2108 1925 A 37 ILE HB A 66 TYR HDx 1.0 1.987 5.375 2109 1926 A 75 VAL HB A 77 SER H 1.0 1.993 6.481 2110 1926 A 70 ALA HB% A 60 ARG H 1.0 1.993 6.481 2111 1927 A 75 VAL HB A 77 SER H 1.0 1.837 8.445 2112 1927 A 19 LYS HD3 A 20 THR H 1.0 1.837 8.445 2113 1927 A 70 ALA HB% A 74 LEU H 1.0 1.837 8.445 2114 1928 A 70 ALA HB% A 66 TYR HDx 1.0 1.905 4.355 2115 1928 A 31 LYS HDx A 27 GLN HE22 1.0 1.905 4.355 2116 1929 A 57 LYS HBy A 57 LYS H 1.0 1.717 3.273 2117 1929 A 31 LYS HB3 A 27 GLN HE21 1.0 1.717 3.273 2118 1930 A 60 ARG HGx A 60 ARG H 1.0 1.995 5.591 2119 1930 A 57 LYS HBy A 60 ARG H 1.0 1.995 5.591 2120 1931 A 31 LYS HDx A 67 ASP H 1.0 1.977 5.159 2121 1931 A 10 ILE HG1x A 10 ILE H 1.0 1.977 5.159 2122 1932 A 110 LYS H A 110 LYS HGy 1.0 1.995 5.619 2123 1932 A 101 ILE HG1x A 102 ASP H 1.0 1.995 5.619 2124 1933 A 35 ALA HB% A 35 ALA H 1.0 1.654 3.016 2125 1933 A 103 ALA HB% A 104 LEU H 1.0 1.654 3.016 2126 1934 A 92 ALA HB% A 92 ALA H 1.0 1.727 3.319 2127 1934 A 19 LYS HGy A 19 LYS H 1.0 1.727 3.319 2128 1935 A 61 ALA HB% A 61 ALA H 1.0 1.810 3.724 2129 1935 A 103 ALA HB% A 104 LEU H 1.0 1.810 3.724 2130 1936 A 57 LYS HGx A 56 LYS H 1.0 1.992 6.486 2131 1936 A 103 ALA HB% A 16 GLN HE21 1.0 1.992 6.486 2132 1936 A 92 ALA HB% A 16 GLN HE21 1.0 1.992 6.486 2133 1937 A 61 ALA HB% A 62 ALA H 1.0 1.915 7.743 2134 1937 A 20 THR HG2% A 19 LYS H 1.0 1.915 7.743 2135 1938 A 40 LEU HG A 40 LEU H 1.0 1.889 7.999 2136 1938 A 40 LEU HG A 44 ALA H 1.0 1.889 7.999 2137 1938 A 57 LYS HGx A 56 LYS H 1.0 1.889 7.999 2138 1939 A 80 GLN HBy A 80 GLN HE22 1.0 1.801 8.719 2139 1939 A 20 THR HG2% A 25 TYR HEx 1.0 1.801 8.719 2140 1940 A 15 THR HG2% A 72 PHE HDx 1.0 1.991 6.551 2141 1940 A 80 GLN HBy A 80 GLN HE21 1.0 1.991 6.551 2142 1941 A 15 THR HG2% A 14 ASP H 1.0 1.995 5.617 2143 1941 A 15 THR HG2% A 17 ARG H 1.0 1.995 5.617 2144 1942 A 76 ALA HB% A 78 ASP H 1.0 1.998 5.750 2145 1942 A 56 LYS HGy A 56 LYS H 1.0 1.998 5.750 2146 1942 A 41 ILE HG1y A 40 LEU H 1.0 1.998 5.750 2147 1943 A 101 ILE HG1y A 103 ALA H 1.0 1.857 4.007 2148 1943 A 101 ILE HG1y A 101 ILE H 1.0 1.857 4.007 2149 1944 A 62 ALA HB% A 62 ALA H 1.0 1.858 4.012 2150 1944 A 63 ALA HB% A 63 ALA H 1.0 1.858 4.012 2151 1945 A 21 ALA HB% A 89 PHE HEx 1.0 1.968 5.026 2152 1945 A 40 LEU HBy A 39 GLN H 1.0 1.968 5.026 2153 1946 A 10 ILE HG2% A 10 ILE H 1.0 2.000 5.990 2154 1946 A 85 ILE HG2% A 89 PHE H 1.0 2.000 5.990 2155 1947 A 32 VAL HGx% A 36 MET H 1.0 1.875 4.129 2156 1947 A 40 LEU HDx% A 39 GLN HE21 1.0 1.875 4.129 2157 1948 A 107 LYS H A 106 LEU HDx% 1.0 2.000 6.054 2158 1948 A 85 ILE HG2% A 89 PHE H 1.0 2.000 6.054 2159 1949 A 82 VAL HGx% A 78 ASP H 1.0 1.999 5.777 2160 1949 A 82 VAL HGx% A 81 TYR H 1.0 1.999 5.777 2161 1950 A 68 ARG HGy A 69 SER H 1.0 1.895 4.273 2162 1950 A 37 ILE HG1x A 37 ILE H 1.0 1.895 4.273 2163 1951 A 48 LEU HDx% A 48 LEU H 1.0 1.947 4.753 2164 1951 A 74 LEU HDx% A 75 VAL H 1.0 1.947 4.753 2165 1952 A 74 LEU HDx% A 74 LEU H 1.0 2.000 6.108 2166 1952 A 74 LEU HDx% A 77 SER H 1.0 2.000 6.108 2167 1953 A 26 ALA HB% A 37 ILE H 1.0 2.000 6.022 2168 1953 A 18 ILE HD1% A 17 ARG H 1.0 2.000 6.022 2169 1953 A 37 ILE HG2% A 37 ILE H 1.0 2.000 6.022 2170 1954 A 18 ILE HG2% A 18 ILE H 1.0 2.000 6.066 2171 1954 A 26 ALA HB% A 28 GLY H 1.0 2.000 6.066 2172 1955 A 53 LEU HDy% A 58 LYS H 1.0 1.946 4.746 2173 1955 A 26 ALA HB% A 31 LYS H 1.0 1.946 4.746 2174 1956 A 26 ALA HB% A 27 GLN HE21 1.0 1.939 4.663 2175 1956 A 53 LEU HDy% A 57 LYS H 1.0 1.939 4.663 2176 1957 A 51 GLU HGx A 54 GLN HBy 1.0 0.000 384.120 2177 1957 A 37 ILE HB A 38 ASP HBy 1.0 0.000 384.120 2178 1958 A 31 LYS HDx A 66 TYR H 1.0 1.989 6.611 2179 1958 A 57 LYS HBy A 66 TYR HH 1.0 1.989 6.611 2180 1959 A 23 LEU HDy% A 68 ARG H 1.0 1.943 4.707 2181 1959 A 85 ILE HG2% A 21 ALA H 1.0 1.943 4.707 2182 1960 A 40 LEU HBx A 41 ILE H 1.0 1.910 4.392 2183 1960 A 99 PRO HBy A 100 GLU H 1.0 1.910 4.392 2184 1961 A 53 LEU HDx% A 41 ILE H 1.0 1.925 7.627 2185 1961 A 40 LEU HDx% A 41 ILE H 1.0 1.925 7.627 2186 1962 A 96 GLU HBx A 96 GLU H 1.0 1.984 6.734 2187 1962 A 95 GLU HBx A 95 GLU H 1.0 1.984 6.734 2188 1962 A 79 GLU HBx A 9 LYS H 1.0 1.984 6.734 2189 1963 A 82 VAL HB A 83 ARG H 1.0 1.864 4.046 2190 1963 A 109 GLN HGy A 109 GLN H 1.0 1.864 4.046 2191 1964 A 25 TYR HBy A 26 ALA H 1.0 1.839 3.893 2192 1964 A 38 ASP HBy A 38 ASP H 1.0 1.839 3.893 2193 1965 A 105 GLU HBx A 105 GLU H 1.0 1.975 5.131 2194 1965 A 8 VAL HB A 10 ILE H 1.0 1.975 5.131 2195 1966 A 16 GLN HBy A 17 ARG H 1.0 1.468 2.404 2196 1966 A 14 ASP HBy A 14 ASP H 1.0 1.468 2.404 2197 1967 A 35 ALA HB% A 37 ILE H 1.0 1.978 5.200 2198 1967 A 61 ALA HB% A 62 ALA H 1.0 1.978 5.200 2199 1968 A 53 LEU HDx% A 48 LEU H 1.0 1.979 6.833 2200 1968 A 40 LEU HDx% A 84 PHE H 1.0 1.979 6.833 2201 1969 A 48 LEU HDy% A 48 LEU H 1.0 1.925 7.633 2202 1969 A 75 VAL HGx% A 75 VAL H 1.0 1.925 7.633 2203 1970 A 57 LYS HEy A 64 ASN HD21 1.0 1.849 8.353 2204 1970 A 51 GLU HGy A 52 GLN H 1.0 1.849 8.353 2205 1971 A 10 ILE HD1% A 77 SER H 1.0 1.974 6.938 2206 1971 A 74 LEU HG A 74 LEU H 1.0 1.974 6.938 2207 1972 A 43 GLY HAy A 43 GLY H 1.0 1.809 3.721 2208 1972 A 54 GLN HA A 54 GLN H 1.0 1.809 3.721 2209 1973 A 23 LEU HDy% A 23 LEU H 1.0 1.988 5.402 2210 1973 A 23 LEU HDx% A 23 LEU H 1.0 1.988 5.402 2211 1974 A 32 VAL HB A 27 GLN H 1.0 1.997 5.695 2212 1974 A 32 VAL HB A 36 MET H 1.0 1.997 5.695 2213 1975 A 40 LEU HBx A 39 GLN HE21 1.0 1.852 3.974 2214 1975 A 36 MET HBy A 36 MET H 1.0 1.852 3.974 2215 1976 A 17 ARG HBy A 89 PHE HDx 1.0 1.994 5.544 2216 1976 A 51 GLU HBx A 50 TRP HE3 1.0 1.994 5.544 2217 1977 A 10 ILE HG1x A 72 PHE HEx 1.0 1.986 6.690 2218 1977 A 86 ALA HB% A 88 HIS H 1.0 1.986 6.690 2219 1978 A 10 ILE HD1% A 72 PHE HDx 1.0 2.000 5.910 2220 1978 A 68 ARG HGy A 22 PHE HZ 1.0 2.000 5.910 2221 1979 A 36 MET HE% A 71 PHE HEx 1.0 1.968 5.018 2222 1979 A 71 PHE HZ A 36 MET HE% 1.0 1.968 5.018 2223 1980 A 18 ILE HG1y A 82 VAL H 1.0 1.986 6.674 2224 1980 A 10 ILE HD1% A 82 VAL H 1.0 1.986 6.674 2225 1981 A 74 LEU HDx% A 45 PHE HZ 1.0 2.000 6.058 2226 1981 A 37 ILE HG2% A 66 TYR HDx 1.0 2.000 6.058 2227 1982 A 45 PHE HBx A 45 PHE HZ 1.0 1.998 5.750 2228 1982 A 81 TYR HBy A 39 GLN HE22 1.0 1.998 5.750 2229 1983 A 32 VAL HGx% A 66 TYR HDx 1.0 1.989 6.589 2230 1983 A 40 LEU HDx% A 66 TYR HDx 1.0 1.989 6.589 2231 1984 A 56 LYS HDy A 45 PHE HEx 1.0 1.989 6.619 2232 1984 A 41 ILE HG1x A 45 PHE HEx 1.0 1.989 6.619 2233 1985 A 89 PHE HA A 90 PRO HGx 1.0 1.970 7.020 2234 1985 A 32 VAL HB A 31 LYS HA 1.0 1.970 7.020 2235 1986 A 82 VAL H A 79 GLU H 1.0 1.999 5.777 2236 1986 A 71 PHE HDx A 71 PHE H 1.0 1.999 5.777 2237 1987 A 66 TYR HDx A 71 PHE H 1.0 1.906 4.354 2238 1987 A 66 TYR HDx A 66 TYR H 1.0 1.906 4.354 2239 1988 A 89 PHE HDx A 21 ALA H 1.0 1.972 6.968 2240 1988 A 30 ASP H A 29 GLN H 1.0 1.972 6.968 2241 1989 A 112 PHE HDx A 112 PHE HEx 1.0 1.830 3.840 2242 1989 A 84 PHE HEx A 84 PHE HDx 1.0 1.830 3.840 2243 1990 A 52 GLN HE22 A 52 GLN HE21 1.0 1.530 2.592 2244 1990 A 29 GLN HE22 A 29 GLN HE21 1.0 1.530 2.592 2245 1991 A 71 PHE HZ A 22 PHE H 1.0 1.988 5.376 2246 1991 A 25 TYR HDx A 22 PHE H 1.0 1.988 5.376 2247 1992 A 89 PHE HDx A 21 ALA H 1.0 2.000 6.022 2248 1992 A 85 ILE H A 87 GLN H 1.0 2.000 6.022 2249 1993 A 103 ALA H A 19 LYS H 1.0 1.999 5.793 2250 1993 A 104 LEU H A 19 LYS H 1.0 1.999 5.793 2251 1993 A 10 ILE H A 12 HIS H 1.0 1.999 5.793 2252 1994 A 102 ASP H A 101 ILE H 1.0 1.444 2.340 2253 1994 A 96 GLU H A 97 LYS H 1.0 1.444 2.340 2254 1995 A 33 THR H A 26 ALA H 1.0 1.963 4.949 2255 1995 A 83 ARG H A 86 ALA H 1.0 1.963 4.949 2256 1996 A 28 GLY H A 25 TYR H 1.0 1.990 5.446 2257 1996 A 15 THR H A 13 GLU H 1.0 1.990 5.446 2258 1997 A 28 GLY H A 25 TYR H 1.0 1.873 4.109 2259 1997 A 18 ILE H A 21 ALA H 1.0 1.873 4.109 2260 1998 A 53 LEU HDy% A 34 GLU HA 1.0 1.990 6.592 2261 1998 A 75 VAL HGx% A 76 ALA HA 1.0 1.990 6.592 2262 1999 A 71 PHE HEx A 66 TYR HDx 1.0 1.766 3.500 2263 1999 A 66 TYR HDx A 22 PHE HEx 1.0 1.766 3.500 2264 2000 A 54 GLN HE22 A 50 TRP HZ3 1.0 1.655 3.021 2265 2000 A 71 PHE HDx A 22 PHE HEx 1.0 1.655 3.021 2266 2001 A 71 PHE HZ A 39 GLN HE22 1.0 1.577 2.745 2267 2001 A 54 GLN HE22 A 50 TRP HZ3 1.0 1.577 2.745 2268 2002 A 84 PHE HEx A 84 PHE HDx 1.0 1.788 3.606 2269 2002 A 72 PHE HDx A 72 PHE HEx 1.0 1.788 3.606 2270 2003 A 80 GLN HE21 A 77 SER H 1.0 1.985 6.707 2271 2003 A 72 PHE HDx A 77 SER H 1.0 1.985 6.707 2272 2004 A 16 GLN HE21 A 16 GLN H 1.0 1.978 6.866 2273 2004 A 89 PHE HDx A 20 THR H 1.0 1.978 6.866 2274 2005 A 77 SER H A 76 ALA H 1.0 1.759 3.463 2275 2005 A 16 GLN H A 17 ARG H 1.0 1.759 3.463 2276 2006 A 77 SER H A 76 ALA H 1.0 1.697 3.191 2277 2006 A 19 LYS H A 20 THR H 1.0 1.697 3.191 2278 2007 A 28 GLY HAx A 29 GLN HA 1.0 1.878 4.144 2279 2007 A 44 ALA HA A 45 PHE HA 1.0 1.878 4.144 2280 2008 A 33 THR HB A 64 ASN HBy 1.0 1.996 6.334 2281 2008 A 67 ASP HBy A 30 ASP HA 1.0 1.996 6.334 2282 2009 A 68 ARG HA A 30 ASP HA 1.0 1.125 12.167 2283 2009 A 14 ASP HBx A 11 SER HA 1.0 1.125 12.167 2284 2010 A 71 PHE HBy A 66 TYR HA 1.0 0.703 13.739 2285 2010 A 12 HIS HBy A 11 SER HA 1.0 0.703 13.739 2286 2011 A 29 GLN HA A 29 GLN HBy 1.0 1.946 7.366 2287 2011 A 90 PRO HBy A 90 PRO HA 1.0 1.946 7.366 2288 2012 A 67 ASP HBy A 66 TYR HA 1.0 1.997 5.663 2289 2012 A 39 GLN HGy A 36 MET HA 1.0 1.997 5.663 2290 2013 A 62 ALA HB% A 66 TYR HA 1.0 1.997 5.677 2291 2013 A 40 LEU HBy A 36 MET HA 1.0 1.997 5.677 2292 2013 A 21 ALA HB% A 90 PRO HA 1.0 1.997 5.677 2293 2014 A 39 GLN HBy A 36 MET HA 1.0 1.998 5.768 2294 2014 A 29 GLN HA A 29 GLN HBy 1.0 1.998 5.768 2295 2015 A 90 PRO HBy A 90 PRO HA 1.0 1.779 3.561 2296 2015 A 46 PRO HBx A 46 PRO HA 1.0 1.779 3.561 2297 2016 A 91 CYS HBx A 90 PRO HA 1.0 1.867 4.075 2298 2016 A 45 PHE HBx A 46 PRO HA 1.0 1.867 4.075 2299 2017 A 92 ALA HA A 92 ALA HB% 1.0 1.762 3.478 2300 2017 A 20 THR HG2% A 20 THR HB 1.0 1.762 3.478 2301 2018 A 102 ASP HBy A 102 ASP HA 1.0 1.995 6.417 2302 2018 A 7 MET HGx A 7 MET HA 1.0 1.995 6.417 2303 2019 A 90 PRO HBy A 90 PRO HA 1.0 1.880 4.158 2304 2019 A 39 GLN HBy A 36 MET HA 1.0 1.880 4.158 2305 2020 A 7 MET HA A 7 MET HBy 1.0 1.788 3.606 2306 2020 A 7 MET HBx A 7 MET HA 1.0 1.788 3.606 2307 2021 A 93 PRO HA A 93 PRO HGx 1.0 1.987 6.651 2308 2021 A 17 ARG HBy A 14 ASP HA 1.0 1.987 6.651 2309 2022 A 33 THR HA A 34 GLU HBy 1.0 1.999 5.781 2310 2022 A 18 ILE HG1x A 14 ASP HA 1.0 1.999 5.781 2311 2022 A 79 GLU HBx A 9 LYS HA 1.0 1.999 5.781 2312 2023 A 99 PRO HA A 99 PRO HBy 1.0 1.907 4.371 2313 2023 A 93 PRO HA A 93 PRO HBy 1.0 1.907 4.371 2314 2024 A 91 CYS HBx A 14 ASP HA 1.0 1.980 6.812 2315 2024 A 9 LYS HEy A 9 LYS HA 1.0 1.980 6.812 2316 2025 A 17 ARG HBy A 17 ARG HA 1.0 1.503 10.489 2317 2025 A 96 GLU HBx A 96 GLU HA 1.0 1.503 10.489 2318 2026 A 96 GLU HA A 96 GLU HBy 1.0 2.000 5.892 2319 2026 A 95 GLU HBy A 95 GLU HA 1.0 2.000 5.892 2320 2027 A 106 LEU HB3 A 106 LEU HA 1.0 1.935 4.619 2321 2027 A 48 LEU HBy A 48 LEU HA 1.0 1.935 4.619 2322 2028 A 81 TYR HA A 81 TYR HBy 1.0 1.791 3.623 2323 2028 A 38 ASP HA A 38 ASP HBx 1.0 1.791 3.623 2324 2029 A 105 GLU HBx A 105 GLU HA 1.0 1.735 3.355 2325 2029 A 96 GLU HBx A 96 GLU HA 1.0 1.735 3.355 2326 2029 A 95 GLU HBx A 95 GLU HA 1.0 1.735 3.355 2327 2030 A 109 GLN HA A 109 GLN HGy 1.0 1.984 5.294 2328 2030 A 107 LYS HB3 A 107 LYS HA 1.0 1.984 5.294 2329 2030 A 96 GLU HA A 96 GLU HGy 1.0 1.984 5.294 2330 2031 A 100 GLU HA A 100 GLU HBx 1.0 1.862 4.034 2331 2031 A 96 GLU HBx A 96 GLU HA 1.0 1.862 4.034 2332 2031 A 94 GLU HA A 94 GLU HBx 1.0 1.862 4.034 2333 2032 A 101 ILE HB A 104 LEU HA 1.0 1.977 5.165 2334 2032 A 101 ILE HB A 105 GLU HA 1.0 1.977 5.165 2335 2032 A 97 LYS HB3 A 96 GLU HA 1.0 1.977 5.165 2336 2032 A 60 ARG HBy A 70 ALA HA 1.0 1.977 5.165 2337 2032 A 101 ILE HB A 103 ALA HA 1.0 1.977 5.165 2338 2033 A 103 ALA HB% A 103 ALA HA 1.0 1.998 6.272 2339 2033 A 20 THR HG2% A 17 ARG HA 1.0 1.998 6.272 2340 2034 A 100 GLU HA A 100 GLU HBy 1.0 1.892 4.248 2341 2034 A 96 GLU HA A 96 GLU HBy 1.0 1.892 4.248 2342 2034 A 95 GLU HBy A 95 GLU HA 1.0 1.892 4.248 2343 2035 A 41 ILE HG2% A 38 ASP HA 1.0 1.996 6.340 2344 2035 A 41 ILE HG2% A 42 CYS HA 1.0 1.996 6.340 2345 2036 A 53 LEU HDy% A 50 TRP HA 1.0 1.965 4.969 2346 2036 A 37 ILE HG2% A 38 ASP HA 1.0 1.965 4.969 2347 2037 A 69 SER HBy A 72 PHE HBx 1.0 1.946 7.362 2348 2037 A 42 CYS HA A 46 PRO HDy 1.0 1.946 7.362 2349 2038 A 42 CYS HA A 43 GLY HAy 1.0 1.936 7.490 2350 2038 A 51 GLU HA A 50 TRP HA 1.0 1.936 7.490 2351 2038 A 41 ILE HA A 42 CYS HA 1.0 1.936 7.490 2352 2038 A 23 LEU HA A 24 SER HA 1.0 1.936 7.490 2353 2039 A 101 ILE HB A 101 ILE HA 1.0 1.955 4.845 2354 2039 A 97 LYS HB3 A 97 LYS HA 1.0 1.955 4.845 2355 2040 A 48 LEU HDx% A 42 CYS HA 1.0 1.997 5.725 2356 2040 A 74 LEU HDx% A 77 SER HBx 1.0 1.997 5.725 2357 2041 A 35 ALA HA A 34 GLU HBy 1.0 1.960 7.174 2358 2041 A 27 GLN HBy A 24 SER HA 1.0 1.960 7.174 2359 2042 A 51 GLU HGx A 49 SER HBy 1.0 2.000 6.044 2360 2042 A 14 ASP HBy A 11 SER HBy 1.0 2.000 6.044 2361 2043 A 75 VAL HB A 81 TYR HBx 1.0 1.771 3.521 2362 2043 A 70 ALA HB% A 73 SER HBx 1.0 1.771 3.521 2363 2043 A 83 ARG HA A 83 ARG HGx 1.0 1.771 3.521 2364 2044 A 83 ARG HA A 83 ARG HBx 1.0 1.603 2.835 2365 2044 A 58 LYS HA A 58 LYS HBx 1.0 1.603 2.835 2366 2045 A 85 ILE HG2% A 86 ALA HA 1.0 2.000 5.998 2367 2045 A 32 VAL HGx% A 32 VAL HA 1.0 2.000 5.998 2368 2046 A 8 VAL HB A 8 VAL HA 1.0 1.625 2.909 2369 2046 A 56 LYS HBx A 56 LYS HA 1.0 1.625 2.909 2370 2047 A 58 LYS HA A 58 LYS HBx 1.0 1.636 2.950 2371 2047 A 40 LEU HA A 40 LEU HBx 1.0 1.636 2.950 2372 2048 A 32 VAL HGx% A 32 VAL HA 1.0 1.925 4.523 2373 2048 A 82 VAL HGx% A 79 GLU HA 1.0 1.925 4.523 2374 2049 A 37 ILE HD1% A 71 PHE HA 1.0 1.999 6.225 2375 2049 A 74 LEU HDy% A 71 PHE HA 1.0 1.999 6.225 2376 2050 A 79 GLU HA A 79 GLU HGx 1.0 1.787 3.603 2377 2050 A 27 GLN HA A 27 GLN HGy 1.0 1.787 3.603 2378 2051 A 87 GLN HA A 87 GLN HGy 1.0 1.677 3.107 2379 2051 A 27 GLN HA A 27 GLN HBy 1.0 1.677 3.107 2380 2052 A 56 LYS HA A 56 LYS HBy 1.0 1.754 3.442 2381 2052 A 79 GLU HA A 9 LYS HB3 1.0 1.754 3.442 2382 2053 A 87 GLN HA A 87 GLN HBx 1.0 1.647 2.991 2383 2053 A 56 LYS HA A 56 LYS HBy 1.0 1.647 2.991 2384 2054 A 33 THR HG2% A 27 GLN HA 1.0 1.917 4.461 2385 2054 A 33 THR HG2% A 32 VAL HA 1.0 1.917 4.461 2386 2055 A 40 LEU HDx% A 40 LEU HA 1.0 1.769 3.511 2387 2055 A 8 VAL HGx% A 76 ALA HA 1.0 1.769 3.511 2388 2056 A 56 LYS HBx A 56 LYS HA 1.0 1.630 2.928 2389 2056 A 55 GLU HGy A 52 GLN HA 1.0 1.630 2.928 2390 2057 A 82 VAL HGx% A 79 GLU HA 1.0 1.861 4.035 2391 2057 A 85 ILE HG2% A 85 ILE HA 1.0 1.861 4.035 2392 2058 A 16 GLN HBy A 13 GLU HA 1.0 1.601 2.825 2393 2058 A 39 GLN HBy A 39 GLN HA 1.0 1.601 2.825 2394 2059 A 40 LEU HA A 40 LEU HBx 1.0 1.548 2.650 2395 2059 A 13 GLU HBy A 13 GLU HA 1.0 1.548 2.650 2396 2060 A 55 GLU HA A 58 LYS HBx 1.0 1.519 2.559 2397 2060 A 40 LEU HA A 40 LEU HBx 1.0 1.519 2.559 2398 2061 A 110 LYS HB3 A 111 GLY HAy 1.0 1.995 6.389 2399 2061 A 87 GLN HBx A 85 ILE HA 1.0 1.995 6.389 2400 2061 A 75 VAL HB A 76 ALA HA 1.0 1.995 6.389 2401 2062 A 91 CYS HA A 16 GLN HBy 1.0 1.910 4.394 2402 2062 A 15 THR HA A 14 ASP HBy 1.0 1.910 4.394 2403 2063 A 26 ALA HA A 27 GLN HGy 1.0 1.975 5.125 2404 2063 A 15 THR HA A 14 ASP HBy 1.0 1.975 5.125 2405 2064 A 26 ALA HB% A 26 ALA HA 1.0 1.794 3.636 2406 2064 A 18 ILE HD1% A 15 THR HA 1.0 1.794 3.636 2407 2065 A 26 ALA HA A 33 THR HG2% 1.0 1.978 6.864 2408 2065 A 20 THR HA A 20 THR HG2% 1.0 1.978 6.864 2409 2066 A 99 PRO HBy A 99 PRO HDx 1.0 1.924 4.518 2410 2066 A 93 PRO HDx A 93 PRO HBy 1.0 1.924 4.518 2411 2067 A 75 VAL HB A 72 PHE HA 1.0 1.793 3.635 2412 2067 A 48 LEU HBy A 53 LEU HA 1.0 1.793 3.635 2413 2068 A 93 PRO HDx A 93 PRO HGx 1.0 1.477 2.433 2414 2068 A 56 LYS HBx A 53 LEU HA 1.0 1.477 2.433 2415 2069 A 18 ILE HG2% A 72 PHE HA 1.0 1.955 4.849 2416 2069 A 53 LEU HDy% A 53 LEU HA 1.0 1.955 4.849 2417 2070 A 51 GLU HA A 51 GLU HBx 1.0 1.725 3.311 2418 2070 A 17 ARG HBy A 17 ARG HDx 1.0 1.725 3.311 2419 2071 A 54 GLN HA A 54 GLN HG3 1.0 1.810 3.722 2420 2071 A 86 ALA HB% A 17 ARG HDx 1.0 1.810 3.722 2421 2072 A 99 PRO HDy A 99 PRO HGy 1.0 1.582 2.758 2422 2072 A 90 PRO HDy A 90 PRO HGx 1.0 1.582 2.758 2423 2073 A 37 ILE HA A 40 LEU HBy 1.0 1.833 3.855 2424 2073 A 18 ILE HA A 21 ALA HB% 1.0 1.833 3.855 2425 2074 A 93 PRO HDy A 93 PRO HBy 1.0 1.950 4.796 2426 2074 A 18 ILE HA A 18 ILE HB 1.0 1.950 4.796 2427 2075 A 93 PRO HDy A 93 PRO HBy 1.0 1.831 3.847 2428 2075 A 28 GLY HAx A 23 LEU HBx 1.0 1.831 3.847 2429 2076 A 40 LEU HG A 43 GLY HAx 1.0 1.981 5.229 2430 2076 A 76 ALA HB% A 75 VAL HA 1.0 1.981 5.229 2431 2076 A 76 ALA HB% A 72 PHE HBy 1.0 1.981 5.229 2432 2077 A 40 LEU HDx% A 75 VAL HA 1.0 1.994 5.568 2433 2077 A 82 VAL HGx% A 75 VAL HA 1.0 1.994 5.568 2434 2078 A 74 LEU HDx% A 75 VAL HA 1.0 1.985 5.321 2435 2078 A 18 ILE HG2% A 72 PHE HBy 1.0 1.985 5.321 2436 2079 A 76 ALA HB% A 75 VAL HA 1.0 1.994 6.426 2437 2079 A 76 ALA HB% A 72 PHE HBy 1.0 1.994 6.426 2438 2080 A 26 ALA HB% A 36 MET HGx 1.0 1.929 4.559 2439 2080 A 48 LEU HDy% A 45 PHE HBx 1.0 1.929 4.559 2440 2081 A 85 ILE HG2% A 89 PHE HBy 1.0 1.955 4.843 2441 2081 A 68 ARG HDy A 23 LEU HDx% 1.0 1.955 4.843 2442 2082 A 41 ILE HG2% A 56 LYS HEx 1.0 1.923 4.509 2443 2082 A 23 LEU HDy% A 68 ARG HDy 1.0 1.923 4.509 2444 2082 A 68 ARG HDy A 23 LEU HDx% 1.0 1.923 4.509 2445 2083 A 41 ILE HG2% A 56 LYS HEx 1.0 1.912 4.412 2446 2083 A 23 LEU HDy% A 68 ARG HDy 1.0 1.912 4.412 2447 2083 A 68 ARG HDy A 23 LEU HDx% 1.0 1.912 4.412 2448 2083 A 82 VAL HGx% A 81 TYR HBy 1.0 1.912 4.412 2449 2084 A 20 THR HG2% A 21 ALA HA 1.0 1.997 5.687 2450 2084 A 30 ASP HBx A 31 LYS HGx 1.0 1.997 5.687 2451 2085 A 37 ILE HD1% A 22 PHE HA 1.0 1.998 5.784 2452 2085 A 74 LEU HDy% A 78 ASP HBx 1.0 1.998 5.784 2453 2086 A 53 LEU HDx% A 38 ASP HBy 1.0 2.000 6.008 2454 2086 A 53 LEU HDx% A 57 LYS HEy 1.0 2.000 6.008 2455 2087 A 16 GLN HGy A 104 LEU HG 1.0 1.935 4.621 2456 2087 A 106 LEU HB3 A 107 LYS HB3 1.0 1.935 4.621 2457 2087 A 106 LEU HB3 A 105 GLU HGy 1.0 1.935 4.621 2458 2087 A 75 VAL HB A 82 VAL HB 1.0 1.935 4.621 2459 2088 A 8 VAL HB A 8 VAL HGx% 1.0 1.546 2.642 2460 2088 A 8 VAL HB A 8 VAL HGy% 1.0 1.546 2.642 2461 2089 A 54 GLN HG3 A 55 GLU HBy 1.0 1.802 3.682 2462 2089 A 86 ALA HB% A 17 ARG HBy 1.0 1.802 3.682 2463 2090 A 58 LYS HGy A 58 LYS HBx 1.0 1.567 2.711 2464 2090 A 9 LYS HGy A 9 LYS HB3 1.0 1.567 2.711 2465 2091 A 101 ILE HG1y A 101 ILE HB 1.0 1.539 2.619 2466 2091 A 97 LYS HB3 A 97 LYS HG3 1.0 1.539 2.619 2467 2092 A 41 ILE HB A 53 LEU HDx% 1.0 1.723 3.303 2468 2092 A 104 LEU HBy A 104 LEU HDy% 1.0 1.723 3.303 2469 2093 A 56 LYS HBy A 57 LYS HDx 1.0 1.657 3.029 2470 2093 A 41 ILE HG1x A 57 LYS HDx 1.0 1.657 3.029 2471 2094 A 83 ARG HBx A 9 LYS HB3 1.0 1.886 4.208 2472 2094 A 57 LYS HBx A 56 LYS HBy 1.0 1.886 4.208 2473 2095 A 95 GLU HBx A 95 GLU HGx 1.0 1.473 2.421 2474 2095 A 55 GLU HGx A 55 GLU HGy 1.0 1.473 2.421 2475 2096 A 36 MET HBx A 22 PHE HA 1.0 1.976 6.912 2476 2096 A 102 ASP HBx A 16 GLN HGy 1.0 1.976 6.912 2477 2096 A 64 ASN HBy A 34 GLU HGy 1.0 1.976 6.912 2478 2097 A 91 CYS HBx A 91 CYS HBy 1.0 1.137 1.609 2479 2097 A 45 PHE HBx A 45 PHE HBy 1.0 1.137 1.609 2480 2098 A 36 MET HBx A 25 TYR HBx 1.0 1.934 7.518 2481 2098 A 91 CYS HBx A 16 GLN HGy 1.0 1.934 7.518 2482 2098 A 91 CYS HBx A 90 PRO HBy 1.0 1.934 7.518 2483 2099 A 36 MET HE% A 36 MET HGx 1.0 1.818 3.772 2484 2099 A 91 CYS HBx A 13 GLU HBx 1.0 1.818 3.772 2485 2100 A 75 VAL HB A 81 TYR HBy 1.0 1.991 5.489 2486 2100 A 37 ILE HB A 38 ASP HBx 1.0 1.991 5.489 2487 2101 A 75 VAL HB A 81 TYR HBy 1.0 1.966 4.984 2488 2101 A 70 ALA HB% A 66 TYR HBy 1.0 1.966 4.984 2489 2102 A 84 PHE HB3 A 87 GLN HBx 1.0 2.000 5.914 2490 2102 A 66 TYR HBx A 70 ALA HB% 1.0 2.000 5.914 2491 2102 A 31 LYS HDx A 66 TYR HBx 1.0 2.000 5.914 2492 2103 A 65 GLY HAx A 61 ALA HB% 1.0 1.997 6.295 2493 2103 A 57 LYS HGx A 53 LEU HA 1.0 1.997 6.295 2494 2104 A 20 THR HG2% A 89 PHE HBy 1.0 1.950 4.782 2495 2104 A 31 LYS HEy A 31 LYS HGx 1.0 1.950 4.782 2496 2105 A 62 ALA HB% A 60 ARG HDx 1.0 1.971 5.073 2497 2105 A 40 LEU HBy A 43 GLY HAx 1.0 1.971 5.073 2498 2106 A 23 LEU HDy% A 68 ARG HA 1.0 1.957 4.879 2499 2106 A 10 ILE HG2% A 14 ASP HBx 1.0 1.957 4.879 2500 2107 A 85 ILE HG2% A 21 ALA HA 1.0 0.000 19.758 2501 2107 A 32 VAL HGx% A 66 TYR HBy 1.0 0.000 19.758 2502 2107 A 82 VAL HGx% A 81 TYR HBy 1.0 0.000 19.758 2503 2108 A 91 CYS HBy A 12 HIS HBx 1.0 1.983 5.279 2504 2108 A 67 ASP HBy A 66 TYR HBx 1.0 1.983 5.279 2505 2109 A 67 ASP HBy A 71 PHE HBy 1.0 1.871 8.161 2506 2109 A 67 ASP HBy A 60 ARG HDx 1.0 1.871 8.161 2507 2109 A 71 PHE HBy A 22 PHE HA 1.0 1.871 8.161 2508 2110 A 23 LEU HA A 22 PHE HA 1.0 2.000 5.976 2509 2110 A 65 GLY HAx A 64 ASN HBy 1.0 2.000 5.976 2510 2111 A 105 GLU HBx A 106 LEU HB3 1.0 1.886 4.202 2511 2111 A 56 LYS HBx A 57 LYS HDx 1.0 1.886 4.202 2512 2112 A 57 LYS HBx A 57 LYS HBy 1.0 1.199 1.739 2513 2112 A 48 LEU HBx A 48 LEU HBy 1.0 1.199 1.739 2514 2113 A 35 ALA HB% A 38 ASP HBy 1.0 1.984 5.282 2515 2113 A 31 LYS HGx A 29 GLN HBx 1.0 1.984 5.282 2516 2114 A 93 PRO HGx A 92 ALA HB% 1.0 1.963 4.953 2517 2114 A 56 LYS HBx A 57 LYS HGx 1.0 1.963 4.953 2518 2115 A 33 THR HG2% A 27 GLN HBy 1.0 1.995 6.363 2519 2115 A 61 ALA HB% A 34 GLU HBy 1.0 1.995 6.363 2520 2116 A 56 LYS HBx A 57 LYS HGy 1.0 1.999 6.083 2521 2116 A 56 LYS HBx A 53 LEU HG 1.0 1.999 6.083 2522 2117 A 36 MET HE% A 21 ALA HB% 1.0 2.000 6.160 2523 2117 A 56 LYS HBx A 53 LEU HG 1.0 2.000 6.160 2524 2118 A 10 ILE HG2% A 10 ILE HB 1.0 1.388 2.186 2525 2118 A 32 VAL HGx% A 32 VAL HB 1.0 1.388 2.186 2526 2118 A 23 LEU HG A 23 LEU HDy% 1.0 1.388 2.186 2527 2119 A 85 ILE HD1% A 36 MET HE% 1.0 1.747 3.411 2528 2119 A 17 ARG HBy A 85 ILE HG2% 1.0 1.747 3.411 2529 2119 A 32 VAL HGx% A 36 MET HE% 1.0 1.747 3.411 2530 2120 A 82 VAL HGy% A 14 ASP HBy 1.0 1.945 4.723 2531 2120 A 79 GLU HGx A 82 VAL HGy% 1.0 1.945 4.723 2532 2121 A 82 VAL HB A 82 VAL HGy% 1.0 1.471 2.415 2533 2121 A 82 VAL HGx% A 82 VAL HB 1.0 1.471 2.415 2534 2122 A 56 LYS HBx A 53 LEU HDy% 1.0 1.740 3.376 2535 2122 A 41 ILE HD1% A 56 LYS HBx 1.0 1.740 3.376 2536 2123 A 53 LEU HBx A 53 LEU HDy% 1.0 1.826 3.814 2537 2123 A 48 LEU HBx A 48 LEU HDy% 1.0 1.826 3.814 2538 2124 A 26 ALA HB% A 27 GLN HBy 1.0 1.957 4.865 2539 2124 A 75 VAL HGx% A 18 ILE HG1x 1.0 1.957 4.865 2540 2125 A 7 MET HGy A 7 MET HBy 1.0 1.858 4.006 2541 2125 A 51 GLU HGx A 51 GLU HBy 1.0 1.858 4.006 2542 2126 A 93 PRO HBx A 93 PRO HBy 1.0 0.932 1.222 2543 2126 A 46 PRO HBx A 46 PRO HBy 1.0 0.932 1.222 2544 2126 A 36 MET HBy A 36 MET HBx 1.0 0.932 1.222 2545 2127 A 109 GLN HBy A 109 GLN HGy 1.0 1.717 3.273 2546 2127 A 100 GLU HBy A 100 GLU HGx 1.0 1.717 3.273 2547 2127 A 94 GLU HGy A 94 GLU HBy 1.0 1.717 3.273 2548 2128 A 36 MET HE% A 25 TYR HBy 1.0 1.729 3.327 2549 2128 A 51 GLU HGx A 51 GLU HBx 1.0 1.729 3.327 2550 2129 A 51 GLU HGx A 51 GLU HBx 1.0 1.623 2.905 2551 2129 A 7 MET HGx A 7 MET HBx 1.0 1.623 2.905 2552 2130 A 51 GLU HGx A 51 GLU HGy 1.0 1.226 1.796 2553 2130 A 29 GLN HBx A 29 GLN HBy 1.0 1.226 1.796 2554 2131 A 100 GLU HBy A 100 GLU HBx 1.0 1.034 1.406 2555 2131 A 105 GLU HBx A 105 GLU HBy 1.0 1.034 1.406 2556 2131 A 95 GLU HBx A 95 GLU HBy 1.0 1.034 1.406 2557 2131 A 51 GLU HBx A 51 GLU HBy 1.0 1.034 1.406 2558 2132 A 32 VAL HGx% A 36 MET HBy 1.0 1.256 1.866 2559 2132 A 40 LEU HDx% A 40 LEU HBx 1.0 1.256 1.866 2560 2133 A 57 LYS HBy A 61 ALA HB% 1.0 1.481 2.443 2561 2133 A 31 LYS HGx A 31 LYS HB3 1.0 1.481 2.443 2562 2134 A 53 LEU HG A 57 LYS HDx 1.0 1.794 3.638 2563 2134 A 41 ILE HG1x A 53 LEU HG 1.0 1.794 3.638 2564 2135 A 41 ILE HG2% A 41 ILE HG1x 1.0 1.716 3.272 2565 2135 A 41 ILE HG2% A 41 ILE HB 1.0 1.716 3.272 2566 2136 A 41 ILE HB A 53 LEU HDx% 1.0 1.526 2.580 2567 2136 A 104 LEU HG A 104 LEU HDy% 1.0 1.526 2.580 2568 2137 A 41 ILE HD1% A 41 ILE HG1x 1.0 1.575 2.737 2569 2137 A 37 ILE HG2% A 37 ILE HB 1.0 1.575 2.737 2570 2138 A 53 LEU HDy% A 57 LYS HDx 1.0 1.397 2.209 2571 2138 A 75 VAL HGx% A 75 VAL HB 1.0 1.397 2.209 2572 2139 A 23 LEU HDx% A 23 LEU HBy 1.0 1.501 2.501 2573 2139 A 85 ILE HD1% A 85 ILE HG13 1.0 1.501 2.501 2574 2140 A 106 LEU HDx% A 106 LEU HG 1.0 1.546 2.644 2575 2140 A 106 LEU HG A 106 LEU HDy% 1.0 1.546 2.644 2576 2141 A 18 ILE HG2% A 85 ILE HG13 1.0 1.907 4.367 2577 2141 A 75 VAL HGx% A 10 ILE HG1x 1.0 1.907 4.367 2578 2141 A 75 VAL HGx% A 85 ILE HG13 1.0 1.907 4.367 2579 2142 A 18 ILE HG1y A 75 VAL HGy% 1.0 1.821 3.791 2580 2142 A 75 VAL HGy% A 74 LEU HG 1.0 1.821 3.791 2581 2143 A 74 LEU HDy% A 74 LEU HG 1.0 1.674 3.098 2582 2143 A 37 ILE HD1% A 37 ILE HG1x 1.0 1.674 3.098 2583 2144 A 74 LEU HDy% A 74 LEU HDx% 1.0 1.492 2.476 2584 2144 A 41 ILE HD1% A 74 LEU HDy% 1.0 1.492 2.476 2585 2145 A 41 ILE HD1% A 57 LYS HGx 1.0 1.888 4.220 2586 2145 A 53 LEU HDy% A 57 LYS HGx 1.0 1.888 4.220 2587 2146 A 37 ILE HG2% A 41 ILE HG1y 1.0 1.695 3.179 2588 2146 A 18 ILE HD1% A 15 THR HG2% 1.0 1.695 3.179 2589 2147 A 37 ILE HG2% A 53 LEU HG 1.0 1.710 3.244 2590 2147 A 53 LEU HG A 48 LEU HDx% 1.0 1.710 3.244 2591 2148 A 37 ILE HG2% A 53 LEU HDx% 1.0 1.643 2.979 2592 2148 A 48 LEU HDx% A 53 LEU HDx% 1.0 1.643 2.979 2593 2149 A 41 ILE HD1% A 57 LYS HGx 1.0 1.704 3.220 2594 2149 A 18 ILE HD1% A 15 THR HG2% 1.0 1.704 3.220 2595 2150 A 57 LYS HGx A 57 LYS HGy 1.0 0.992 1.328 2596 2150 A 31 LYS HGy A 31 LYS HGx 1.0 0.992 1.328 2597 2151 A 80 GLN HBx A 44 ALA HB% 1.0 1.918 4.460 2598 2151 A 40 LEU HDx% A 85 ILE HG13 1.0 1.918 4.460 2599 2152 A 68 ARG HBy A 68 ARG HBx 1.0 1.206 1.754 2600 2152 A 57 LYS HGx A 57 LYS HGy 1.0 1.206 1.754 2601 2153 A 41 ILE HD1% A 41 ILE HG1y 1.0 1.539 2.621 2602 2153 A 53 LEU HBy A 53 LEU HDy% 1.0 1.539 2.621 2603 2154 A 74 LEU HDx% A 74 LEU HG 1.0 1.259 1.871 2604 2154 A 18 ILE HG1y A 18 ILE HD1% 1.0 1.259 1.871 2605 2155 A 20 THR HG2% A 91 CYS HA 1.0 1.935 7.503 2606 2155 A 92 ALA HB% A 91 CYS HA 1.0 1.935 7.503 2607 2156 A 102 ASP HBy A 102 ASP HA 1.0 1.877 8.107 2608 2156 A 29 GLN HBx A 29 GLN HA 1.0 1.877 8.107 2609 2157 A 19 LYS HD3 A 19 LYS HGy 1.0 1.542 2.628 2610 2157 A 9 LYS HGy A 9 LYS HDy 1.0 1.542 2.628 2611 2158 A 65 GLY HAx A 64 ASN HBx 1.0 1.999 5.861 2612 2158 A 23 LEU HA A 25 TYR HBx 1.0 1.999 5.861 2613 2159 A 23 LEU HA A 25 TYR HBx 1.0 1.786 8.830 2614 2159 A 90 PRO HDx A 89 PHE HBy 1.0 1.786 8.830 2615 2160 A 70 ALA HA A 73 SER HBy 1.0 2.000 6.000 2616 2160 A 91 CYS HA A 17 ARG HA 1.0 2.000 6.000 2617 2161 A 46 PRO HDy A 43 GLY HAy 1.0 1.998 5.732 2618 2161 A 84 PHE HB3 A 43 GLY HAy 1.0 1.998 5.732 2619 2161 A 82 VAL HA A 17 ARG HDx 1.0 1.998 5.732 2620 2162 A 53 LEU HBy A 53 LEU HG 1.0 1.763 3.483 2621 2162 A 40 LEU HBy A 40 LEU HG 1.0 1.763 3.483 2622 2163 A 99 PRO HDy A 99 PRO HDx 1.0 1.221 1.787 2623 2163 A 90 PRO HDy A 90 PRO HDx 1.0 1.221 1.787 2624 2164 A 105 GLU HBx A 105 GLU HBy 1.0 1.055 1.447 2625 2164 A 100 GLU HBy A 100 GLU HBx 1.0 1.055 1.447 2626 2164 A 95 GLU HBx A 95 GLU HBy 1.0 1.055 1.447 2627 2165 A 23 LEU HDy% A 22 PHE HZ 1.0 1.854 3.980 2628 2165 A 23 LEU HDy% A 31 LYS H 1.0 1.854 3.980 2629 2166 A 50 TRP HA A 54 GLN H 1.0 1.849 3.953 2630 2166 A 78 ASP H A 77 SER HBx 1.0 1.849 3.953 2631 2167 A 101 ILE HG1x A 101 ILE HD1% 1.0 1.519 2.557 2632 2167 A 103 ALA HB% A 104 LEU HDy% 1.0 1.519 2.557 2633 2168 A 100 GLU HBy A 100 GLU HGx 1.0 1.639 2.961 2634 2168 A 96 GLU HGy A 96 GLU HBy 1.0 1.639 2.961 2635 2168 A 94 GLU HGy A 94 GLU HBy 1.0 1.639 2.961 2636 2169 A 18 ILE HD1% A 10 ILE HG1y 1.0 1.942 4.694 2637 2169 A 48 LEU HDx% A 56 LYS HGy 1.0 1.942 4.694 2638 2169 A 53 LEU HDy% A 57 LYS HGy 1.0 1.942 4.694 2639 2170 A 100 GLU H A 100 GLU HA 1.0 1.795 3.641 2640 2170 A 96 GLU H A 95 GLU HA 1.0 1.795 3.641 2641 2170 A 95 GLU H A 94 GLU HA 1.0 1.795 3.641 2642 2171 A 17 ARG HA A 20 THR H 1.0 1.996 5.642 2643 2171 A 70 ALA HA A 74 LEU H 1.0 1.996 5.642 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 hbond _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 16 GLN H A 12 HIS O 1.0 1.8 2.3 2 2 A 12 HIS O A 16 GLN N 1.0 2.8 3.3 3 3 A 17 ARG H A 13 GLU O 1.0 1.8 2.3 4 4 A 13 GLU O A 17 ARG N 1.0 2.8 3.3 5 5 A 18 ILE H A 14 ASP O 1.0 1.8 2.3 6 6 A 14 ASP O A 18 ILE N 1.0 2.8 3.3 7 7 A 19 LYS H A 15 THR O 1.0 1.8 2.3 8 8 A 15 THR O A 19 LYS N 1.0 2.8 3.3 9 9 A 20 THR H A 16 GLN O 1.0 1.8 2.3 10 10 A 16 GLN O A 20 THR N 1.0 2.8 3.3 11 11 A 21 ALA H A 17 ARG O 1.0 1.8 2.3 12 12 A 17 ARG O A 21 ALA N 1.0 2.8 3.3 13 13 A 22 PHE H A 18 ILE O 1.0 1.8 2.3 14 14 A 18 ILE O A 22 PHE N 1.0 2.8 3.3 15 15 A 23 LEU H A 19 LYS O 1.0 1.8 2.3 16 16 A 19 LYS O A 23 LEU N 1.0 2.8 3.3 17 17 A 24 SER H A 20 THR O 1.0 1.8 2.3 18 18 A 20 THR O A 24 SER N 1.0 2.8 3.3 19 19 A 25 TYR H A 21 ALA O 1.0 1.8 2.3 20 20 A 21 ALA O A 25 TYR N 1.0 2.8 3.3 21 21 A 26 ALA H A 22 PHE O 1.0 1.8 2.3 22 22 A 22 PHE O A 26 ALA N 1.0 2.8 3.3 23 23 A 27 GLN H A 23 LEU O 1.0 1.8 2.3 24 24 A 23 LEU O A 27 GLN N 1.0 2.8 3.3 25 25 A 38 ASP H A 34 GLU O 1.0 1.8 2.3 26 26 A 34 GLU O A 38 ASP N 1.0 2.8 3.3 27 27 A 39 GLN H A 35 ALA O 1.0 1.8 2.3 28 28 A 35 ALA O A 39 GLN N 1.0 2.8 3.3 29 29 A 40 LEU H A 36 MET O 1.0 1.8 2.3 30 30 A 36 MET O A 40 LEU N 1.0 2.8 3.3 31 31 A 41 ILE H A 37 ILE O 1.0 1.8 2.3 32 32 A 37 ILE O A 41 ILE N 1.0 2.8 3.3 33 33 A 42 CYS H A 38 ASP O 1.0 1.8 2.3 34 34 A 38 ASP O A 42 CYS N 1.0 2.8 3.3 35 35 A 43 GLY H A 39 GLN O 1.0 1.8 2.3 36 36 A 39 GLN O A 43 GLY N 1.0 2.8 3.3 37 37 A 54 GLN H A 50 TRP O 1.0 1.8 2.3 38 38 A 50 TRP O A 54 GLN N 1.0 2.8 3.3 39 39 A 55 GLU H A 51 GLU O 1.0 1.8 2.3 40 40 A 51 GLU O A 55 GLU N 1.0 2.8 3.3 41 41 A 56 LYS H A 52 GLN O 1.0 1.8 2.3 42 42 A 52 GLN O A 56 LYS N 1.0 2.8 3.3 43 43 A 57 LYS H A 53 LEU O 1.0 1.8 2.3 44 44 A 53 LEU O A 57 LYS N 1.0 2.8 3.3 45 45 A 72 PHE H A 68 ARG O 1.0 1.8 2.3 46 46 A 68 ARG O A 72 PHE N 1.0 2.8 3.3 47 47 A 73 SER H A 69 SER O 1.0 1.8 2.3 48 48 A 69 SER O A 73 SER N 1.0 2.8 3.3 49 49 A 74 LEU H A 70 ALA O 1.0 1.8 2.3 50 50 A 70 ALA O A 74 LEU N 1.0 2.8 3.3 51 51 A 75 VAL H A 71 PHE O 1.0 1.8 2.3 52 52 A 71 PHE O A 75 VAL N 1.0 2.8 3.3 53 53 A 76 ALA H A 72 PHE O 1.0 1.8 2.3 54 54 A 72 PHE O A 76 ALA N 1.0 2.8 3.3 55 55 A 83 ARG H A 79 GLU O 1.0 1.8 2.3 56 56 A 79 GLU O A 83 ARG N 1.0 2.8 3.3 57 57 A 84 PHE H A 80 GLN O 1.0 1.8 2.3 58 58 A 80 GLN O A 84 PHE N 1.0 2.8 3.3 59 59 A 85 ILE H A 81 TYR O 1.0 1.8 2.3 60 60 A 81 TYR O A 85 ILE N 1.0 2.8 3.3 61 61 A 86 ALA H A 82 VAL O 1.0 1.8 2.3 62 62 A 82 VAL O A 86 ALA N 1.0 2.8 3.3 63 63 A 87 GLN H A 83 ARG O 1.0 1.8 2.3 64 64 A 83 ARG O A 87 GLN N 1.0 2.8 3.3 65 65 A 88 HIS H A 84 PHE O 1.0 1.8 2.3 66 66 A 84 PHE O A 88 HIS N 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 9 LYS C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -155.49 -67.01 PHI 2 2 A 10 ILE C A 11 SER N A 11 SER CA A 11 SER C 1.0 -104.41 -52.49 PHI 3 3 A 11 SER C A 12 HIS N A 12 HIS CA A 12 HIS C 1.0 -67.59 -53.67 PHI 4 4 A 12 HIS C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -70.56 -52.52 PHI 5 5 A 13 GLU C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -76.58 -55.54 PHI 6 6 A 14 ASP C A 15 THR N A 15 THR CA A 15 THR C 1.0 -85.10 -49.30 PHI 7 7 A 15 THR C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -71.10 -54.74 PHI 8 8 A 16 GLN C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -71.54 -62.96 PHI 9 9 A 17 ARG C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -69.83 -54.43 PHI 10 10 A 18 ILE C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -76.88 -50.32 PHI 11 11 A 19 LYS C A 20 THR N A 20 THR CA A 20 THR C 1.0 -84.10 -50.16 PHI 12 12 A 20 THR C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -73.91 -51.25 PHI 13 13 A 21 ALA C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -76.60 -46.82 PHI 14 14 A 22 PHE C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -77.85 -44.61 PHI 15 15 A 23 LEU C A 24 SER N A 24 SER CA A 24 SER C 1.0 -77.07 -52.11 PHI 16 16 A 24 SER C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -75.74 -52.30 PHI 17 17 A 25 TYR C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -69.93 -52.91 PHI 18 18 A 26 ALA C A 27 GLN N A 27 GLN CA A 27 GLN C 1.0 -102.37 -71.41 PHI 19 19 A 27 GLN C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 63.82 109.00 PHI 20 20 A 28 GLY C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -158.90 -46.38 PHI 21 21 A 29 GLN C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -142.79 -41.41 PHI 22 22 A 30 ASP C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -184.29 -94.61 PHI 23 23 A 31 LYS C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -132.67 -52.35 PHI 24 24 A 32 VAL C A 33 THR N A 33 THR CA A 33 THR C 1.0 -94.72 -68.80 PHI 25 25 A 33 THR C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -63.72 -54.08 PHI 26 26 A 34 GLU C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -67.04 -47.68 PHI 27 27 A 35 ALA C A 36 MET N A 36 MET CA A 36 MET C 1.0 -76.31 -59.25 PHI 28 28 A 36 MET C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -71.67 -55.29 PHI 29 29 A 37 ILE C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -73.84 -48.18 PHI 30 30 A 38 ASP C A 39 GLN N A 39 GLN CA A 39 GLN C 1.0 -74.10 -55.94 PHI 31 31 A 39 GLN C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -70.24 -57.20 PHI 32 32 A 40 LEU C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -69.05 -51.25 PHI 33 33 A 41 ILE C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -72.67 -56.79 PHI 34 34 A 42 CYS C A 43 GLY N A 43 GLY CA A 43 GLY C 1.0 -81.71 -52.53 PHI 35 35 A 43 GLY C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -116.26 -59.02 PHI 36 36 A 44 ALA C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -169.84 -82.46 PHI 37 37 A 47 GLY C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -98.45 -60.85 PHI 38 38 A 48 LEU C A 49 SER N A 49 SER CA A 49 SER C 1.0 -136.80 -34.32 PHI 39 39 A 49 SER C A 50 TRP N A 50 TRP CA A 50 TRP C 1.0 -66.22 -53.78 PHI 40 40 A 50 TRP C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -72.87 -53.01 PHI 41 41 A 51 GLU C A 52 GLN N A 52 GLN CA A 52 GLN C 1.0 -71.43 -59.67 PHI 42 42 A 52 GLN C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -73.88 -53.50 PHI 43 43 A 53 LEU C A 54 GLN N A 54 GLN CA A 54 GLN C 1.0 -72.60 -56.74 PHI 44 44 A 54 GLN C A 55 GLU N A 55 GLU CA A 55 GLU C 1.0 -76.59 -58.57 PHI 45 45 A 55 GLU C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -87.58 -45.70 PHI 46 46 A 56 LYS C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -111.93 -42.63 PHI 47 47 A 66 TYR C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -149.25 -32.51 PHI 48 48 A 67 ASP C A 68 ARG N A 68 ARG CA A 68 ARG C 1.0 -66.57 -51.77 PHI 49 49 A 68 ARG C A 69 SER N A 69 SER CA A 69 SER C 1.0 -70.95 -58.49 PHI 50 50 A 69 SER C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -73.62 -54.32 PHI 51 51 A 70 ALA C A 71 PHE N A 71 PHE CA A 71 PHE C 1.0 -72.72 -54.70 PHI 52 52 A 71 PHE C A 72 PHE N A 72 PHE CA A 72 PHE C 1.0 -67.74 -49.28 PHI 53 53 A 72 PHE C A 73 SER N A 73 SER CA A 73 SER C 1.0 -69.19 -53.73 PHI 54 54 A 73 SER C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -75.29 -55.69 PHI 55 55 A 74 LEU C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -74.54 -53.96 PHI 56 56 A 75 VAL C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -104.97 -44.55 PHI 57 57 A 76 ALA C A 77 SER N A 77 SER CA A 77 SER C 1.0 -116.30 -72.74 PHI 58 58 A 77 SER C A 78 ASP N A 78 ASP CA A 78 ASP C 1.0 -130.21 -34.85 PHI 59 59 A 78 ASP C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -63.00 -43.70 PHI 60 60 A 79 GLU C A 80 GLN N A 80 GLN CA A 80 GLN C 1.0 -68.91 -49.45 PHI 61 61 A 80 GLN C A 81 TYR N A 81 TYR CA A 81 TYR C 1.0 -78.92 -55.96 PHI 62 62 A 81 TYR C A 82 VAL N A 82 VAL CA A 82 VAL C 1.0 -73.10 -53.84 PHI 63 63 A 82 VAL C A 83 ARG N A 83 ARG CA A 83 ARG C 1.0 -68.80 -52.22 PHI 64 64 A 83 ARG C A 84 PHE N A 84 PHE CA A 84 PHE C 1.0 -72.05 -59.11 PHI 65 65 A 84 PHE C A 85 ILE N A 85 ILE CA A 85 ILE C 1.0 -73.64 -55.44 PHI 66 66 A 85 ILE C A 86 ALA N A 86 ALA CA A 86 ALA C 1.0 -72.77 -49.81 PHI 67 67 A 86 ALA C A 87 GLN N A 87 GLN CA A 87 GLN C 1.0 -95.29 -47.85 PHI 68 68 A 87 GLN C A 88 HIS N A 88 HIS CA A 88 HIS C 1.0 -108.66 -60.50 PHI 69 69 A 88 HIS C A 89 PHE N A 89 PHE CA A 89 PHE C 1.0 -170.44 -71.90 PHI 70 70 A 89 PHE C A 90 PRO N A 90 PRO CA A 90 PRO C 1.0 -86.98 -50.28 PHI 71 71 A 91 CYS C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -126.94 -29.20 PHI 72 72 A 97 LYS C A 98 PRO N A 98 PRO CA A 98 PRO C 1.0 -144.87 -15.97 PHI 73 73 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 SER N 1.0 104.61 157.59 PSI 74 74 A 11 SER N A 11 SER CA A 11 SER C A 12 HIS N 1.0 140.55 185.67 PSI 75 75 A 12 HIS N A 12 HIS CA A 12 HIS C A 13 GLU N 1.0 -51.10 -23.92 PSI 76 76 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 ASP N 1.0 -54.37 -32.75 PSI 77 77 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 THR N 1.0 -55.61 -12.13 PSI 78 78 A 15 THR N A 15 THR CA A 15 THR C A 16 GLN N 1.0 -53.60 -29.72 PSI 79 79 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 ARG N 1.0 -46.89 -32.55 PSI 80 80 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 ILE N 1.0 -51.98 -33.36 PSI 81 81 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 LYS N 1.0 -49.82 -32.44 PSI 82 82 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 THR N 1.0 -60.51 -10.69 PSI 83 83 A 20 THR N A 20 THR CA A 20 THR C A 21 ALA N 1.0 -50.26 -26.38 PSI 84 84 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 PHE N 1.0 -57.96 -32.82 PSI 85 85 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 LEU N 1.0 -58.64 -36.46 PSI 86 86 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 SER N 1.0 -56.39 -19.65 PSI 87 87 A 24 SER N A 24 SER CA A 24 SER C A 25 TYR N 1.0 -53.57 -30.27 PSI 88 88 A 25 TYR N A 25 TYR CA A 25 TYR C A 26 ALA N 1.0 -54.45 -31.47 PSI 89 89 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 GLN N 1.0 -59.38 -15.82 PSI 90 90 A 27 GLN N A 27 GLN CA A 27 GLN C A 28 GLY N 1.0 -28.28 20.40 PSI 91 91 A 28 GLY N A 28 GLY CA A 28 GLY C A 29 GLN N 1.0 -15.54 40.90 PSI 92 92 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 ASP N 1.0 120.79 193.77 PSI 93 93 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 LYS N 1.0 -61.11 26.83 PSI 94 94 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 VAL N 1.0 115.40 184.76 PSI 95 95 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 THR N 1.0 108.81 172.15 PSI 96 96 A 33 THR N A 33 THR CA A 33 THR C A 34 GLU N 1.0 162.22 173.88 PSI 97 97 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 ALA N 1.0 -47.78 -35.90 PSI 98 98 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 MET N 1.0 -55.96 -32.72 PSI 99 99 A 36 MET N A 36 MET CA A 36 MET C A 37 ILE N 1.0 -51.98 -28.92 PSI 100 100 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 ASP N 1.0 -56.39 -24.63 PSI 101 101 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 GLN N 1.0 -54.46 -32.50 PSI 102 102 A 39 GLN N A 39 GLN CA A 39 GLN C A 40 LEU N 1.0 -49.15 -25.79 PSI 103 103 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 ILE N 1.0 -56.52 -35.76 PSI 104 104 A 41 ILE N A 41 ILE CA A 41 ILE C A 42 CYS N 1.0 -58.62 -30.46 PSI 105 105 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 GLY N 1.0 -70.05 -2.07 PSI 106 106 A 43 GLY N A 43 GLY CA A 43 GLY C A 44 ALA N 1.0 -61.06 11.16 PSI 107 107 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 PHE N 1.0 -72.55 32.41 PSI 108 108 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 PRO N 1.0 33.16 163.22 PSI 109 109 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 SER N 1.0 125.11 168.15 PSI 110 110 A 49 SER N A 49 SER CA A 49 SER C A 50 TRP N 1.0 147.52 174.96 PSI 111 111 A 50 TRP N A 50 TRP CA A 50 TRP C A 51 GLU N 1.0 -51.09 -31.19 PSI 112 112 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 GLN N 1.0 -56.42 -24.66 PSI 113 113 A 52 GLN N A 52 GLN CA A 52 GLN C A 53 LEU N 1.0 -51.73 -30.69 PSI 114 114 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 GLN N 1.0 -56.26 -29.36 PSI 115 115 A 54 GLN N A 54 GLN CA A 54 GLN C A 55 GLU N 1.0 -48.77 -29.43 PSI 116 116 A 55 GLU N A 55 GLU CA A 55 GLU C A 56 LYS N 1.0 -49.81 -31.69 PSI 117 117 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 LYS N 1.0 -54.85 -5.95 PSI 118 118 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 LYS N 1.0 -51.63 10.17 PSI 119 119 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 ARG N 1.0 138.42 186.68 PSI 120 120 A 68 ARG N A 68 ARG CA A 68 ARG C A 69 SER N 1.0 -49.46 -24.62 PSI 121 121 A 69 SER N A 69 SER CA A 69 SER C A 70 ALA N 1.0 -49.06 -34.90 PSI 122 122 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 PHE N 1.0 -53.12 -30.60 PSI 123 123 A 71 PHE N A 71 PHE CA A 71 PHE C A 72 PHE N 1.0 -53.00 -36.00 PSI 124 124 A 72 PHE N A 72 PHE CA A 72 PHE C A 73 SER N 1.0 -55.31 -32.19 PSI 125 125 A 73 SER N A 73 SER CA A 73 SER C A 74 LEU N 1.0 -51.50 -34.44 PSI 126 126 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 VAL N 1.0 -58.97 -22.63 PSI 127 127 A 75 VAL N A 75 VAL CA A 75 VAL C A 76 ALA N 1.0 -50.88 -28.22 PSI 128 128 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 SER N 1.0 -56.73 8.17 PSI 129 129 A 77 SER N A 77 SER CA A 77 SER C A 78 ASP N 1.0 -45.81 25.45 PSI 130 130 A 78 ASP N A 78 ASP CA A 78 ASP C A 79 GLU N 1.0 72.60 155.24 PSI 131 131 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 GLN N 1.0 -55.26 -26.30 PSI 132 132 A 80 GLN N A 80 GLN CA A 80 GLN C A 81 TYR N 1.0 -54.13 -24.35 PSI 133 133 A 81 TYR N A 81 TYR CA A 81 TYR C A 82 VAL N 1.0 -51.17 -33.43 PSI 134 134 A 82 VAL N A 82 VAL CA A 82 VAL C A 83 ARG N 1.0 -49.42 -35.38 PSI 135 135 A 83 ARG N A 83 ARG CA A 83 ARG C A 84 PHE N 1.0 -54.24 -30.02 PSI 136 136 A 84 PHE N A 84 PHE CA A 84 PHE C A 85 ILE N 1.0 -56.07 -32.45 PSI 137 137 A 85 ILE N A 85 ILE CA A 85 ILE C A 86 ALA N 1.0 -50.50 -29.36 PSI 138 138 A 86 ALA N A 86 ALA CA A 86 ALA C A 87 GLN N 1.0 -58.32 -19.88 PSI 139 139 A 87 GLN N A 87 GLN CA A 87 GLN C A 88 HIS N 1.0 -54.36 -15.32 PSI 140 140 A 88 HIS N A 88 HIS CA A 88 HIS C A 89 PHE N 1.0 -50.40 24.02 PSI 141 141 A 89 PHE N A 89 PHE CA A 89 PHE C A 90 PRO N 1.0 23.52 144.62 PSI 142 142 A 90 PRO N A 90 PRO CA A 90 PRO C A 91 CYS N 1.0 136.01 173.91 PSI 143 143 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 PRO N 1.0 74.89 184.81 PSI 144 144 A 98 PRO N A 98 PRO CA A 98 PRO C A 99 PRO N 1.0 79.14 186.44 PSI stop_ save_