NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
615269 | 5ml1 | 34072 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA2 GLY 1 HA2 GLY 1 0.498 3.511 -3.583 2 HA3 GLY 1 HA3 GLY 1 1.388 3.310 -5.084 3 H SER 2 H SER 2 0.916 5.787 -2.571 4 HA SER 2 HA SER 2 3.710 5.906 -2.021 5 HB2 SER 2 HB2 SER 2 3.453 7.223 -4.185 6 HB3 SER 2 HB3 SER 2 2.496 8.381 -3.263 7 HG SER 2 HG SER 2 4.339 9.231 -2.756 8 H MET 3 H MET 3 4.098 7.888 -0.510 9 HA MET 3 HA MET 3 2.124 7.711 1.559 10 HB2 MET 3 HB2 MET 3 3.635 9.080 2.886 11 HB3 MET 3 HB3 MET 3 4.523 7.784 2.102 12 HG2 MET 3 HG2 MET 3 5.349 9.352 0.428 13 HG3 MET 3 HG3 MET 3 4.430 10.651 1.187 14 HE1 MET 3 HE1 MET 3 7.526 10.912 0.589 15 HE2 MET 3 HE2 MET 3 8.113 11.609 2.098 16 HE3 MET 3 HE3 MET 3 6.593 12.169 1.401 17 H SER 4 H SER 4 0.581 9.109 2.081 18 HA SER 4 HA SER 4 0.071 11.305 0.293 19 HB2 SER 4 HB2 SER 4 -1.462 10.411 2.745 20 HB3 SER 4 HB3 SER 4 -2.034 11.523 1.501 21 HG SER 4 HG SER 4 -1.378 9.507 0.115 22 H SER 5 H SER 5 1.710 12.742 0.695 23 HA SER 5 HA SER 5 1.462 14.225 3.183 24 HB2 SER 5 HB2 SER 5 3.304 12.653 3.570 25 HB3 SER 5 HB3 SER 5 4.088 13.189 2.085 26 HG SER 5 HG SER 5 4.995 14.657 3.272 27 H VAL 6 H VAL 6 1.833 16.386 2.959 28 HA VAL 6 HA VAL 6 2.440 17.321 0.242 29 HB VAL 6 HB VAL 6 0.269 18.043 1.372 30 HG11 VAL 6 HG11 VAL 6 2.142 19.692 3.055 31 HG12 VAL 6 HG12 VAL 6 1.106 18.382 3.621 32 HG13 VAL 6 HG13 VAL 6 0.388 19.868 2.998 33 HG21 VAL 6 HG21 VAL 6 1.151 19.240 -0.548 34 HG22 VAL 6 HG22 VAL 6 2.182 20.209 0.504 35 HG23 VAL 6 HG23 VAL 6 0.429 20.371 0.597 36 H PHE 7 H PHE 7 3.831 16.768 3.168 37 HA PHE 7 HA PHE 7 5.753 18.967 2.880 38 HB2 PHE 7 HB2 PHE 7 6.333 18.573 5.260 39 HB3 PHE 7 HB3 PHE 7 4.651 19.036 5.044 40 HD1 PHE 7 HD1 PHE 7 6.920 16.244 5.837 41 HD2 PHE 7 HD2 PHE 7 2.880 17.563 5.655 42 HE1 PHE 7 HE1 PHE 7 6.225 14.274 7.128 43 HE2 PHE 7 HE2 PHE 7 2.178 15.591 6.946 44 HZ PHE 7 HZ PHE 7 3.850 13.944 7.684 45 H GLY 8 H GLY 8 7.974 18.361 3.658 46 HA2 GLY 8 HA2 GLY 8 8.688 15.808 2.396 47 HA3 GLY 8 HA3 GLY 8 9.766 17.177 2.621 48 H ALA 9 H ALA 9 11.235 16.951 4.154 49 HA ALA 9 HA ALA 9 10.612 15.223 6.455 50 HB1 ALA 9 HB1 ALA 9 11.958 13.941 4.863 51 HB2 ALA 9 HB2 ALA 9 12.859 14.267 6.344 52 HB3 ALA 9 HB3 ALA 9 13.189 15.204 4.887 53 H GLY 10 H GLY 10 10.849 18.177 5.848 54 HA2 GLY 10 HA2 GLY 10 11.795 19.108 8.255 55 HA3 GLY 10 HA3 GLY 10 13.186 19.131 7.177 56 H CYS 11 H CYS 11 9.741 19.963 6.973 57 HA CYS 11 HA CYS 11 10.341 22.231 5.290 58 HB2 CYS 11 HB2 CYS 11 7.719 21.399 6.502 59 HB3 CYS 11 HB3 CYS 11 7.966 22.481 5.134 60 H THR 12 H THR 12 9.803 24.386 5.806 61 HA THR 12 HA THR 12 10.282 25.074 8.553 62 HB THR 12 HB THR 12 10.113 27.414 7.724 63 HG1 THR 12 HG1 THR 12 10.009 26.523 5.068 64 HG21 THR 12 HG21 THR 12 12.107 27.377 6.390 65 HG22 THR 12 HG22 THR 12 11.848 25.684 5.965 66 HG23 THR 12 HG23 THR 12 12.242 26.129 7.629 67 H ASP 13 H ASP 13 8.858 26.788 9.592 68 HA ASP 13 HA ASP 13 6.148 25.901 9.625 69 HB2 ASP 13 HB2 ASP 13 7.219 26.822 11.648 70 HB3 ASP 13 HB3 ASP 13 7.375 28.386 10.855 71 H VAL 14 H VAL 14 7.950 28.178 7.871 72 HA VAL 14 HA VAL 14 5.897 29.922 7.015 73 HB VAL 14 HB VAL 14 8.414 29.162 5.507 74 HG11 VAL 14 HG11 VAL 14 8.230 31.373 4.518 75 HG12 VAL 14 HG12 VAL 14 6.760 31.677 5.444 76 HG13 VAL 14 HG13 VAL 14 6.776 30.424 4.203 77 HG21 VAL 14 HG21 VAL 14 8.034 31.291 7.612 78 HG22 VAL 14 HG22 VAL 14 9.480 31.073 6.626 79 HG23 VAL 14 HG23 VAL 14 8.999 29.824 7.773 80 H CYS 15 H CYS 15 6.971 26.750 6.038 81 HA CYS 15 HA CYS 15 5.445 26.662 3.605 82 HB2 CYS 15 HB2 CYS 15 7.448 25.291 3.779 83 HB3 CYS 15 HB3 CYS 15 6.842 24.525 5.241 84 H LYS 16 H LYS 16 5.014 25.924 6.974 85 HA LYS 16 HA LYS 16 2.622 24.407 6.661 86 HB2 LYS 16 HB2 LYS 16 3.675 25.805 9.126 87 HB3 LYS 16 HB3 LYS 16 2.447 24.553 9.086 88 HG2 LYS 16 HG2 LYS 16 5.363 24.221 8.374 89 HG3 LYS 16 HG3 LYS 16 4.574 23.660 9.845 90 HD2 LYS 16 HD2 LYS 16 4.371 21.710 8.722 91 HD3 LYS 16 HD3 LYS 16 3.026 22.526 7.915 92 HE2 LYS 16 HE2 LYS 16 4.585 23.282 6.152 93 HE3 LYS 16 HE3 LYS 16 5.874 22.368 6.934 94 HZ1 LYS 16 HZ1 LYS 16 4.657 20.347 6.547 95 HZ2 LYS 16 HZ2 LYS 16 4.857 21.172 5.079 96 HZ3 LYS 16 HZ3 LYS 16 3.367 21.202 5.868 97 H GLN 17 H GLN 17 3.264 27.635 6.199 98 HA GLN 17 HA GLN 17 1.061 28.918 7.412 99 HB2 GLN 17 HB2 GLN 17 2.881 29.629 5.139 100 HB3 GLN 17 HB3 GLN 17 1.443 30.594 5.424 101 HG2 GLN 17 HG2 GLN 17 2.228 31.037 7.715 102 HG3 GLN 17 HG3 GLN 17 3.690 30.114 7.368 103 HE21 GLN 17 HE21 GLN 17 4.969 31.930 7.781 104 HE22 GLN 17 HE22 GLN 17 5.107 33.240 6.660 105 H THR 18 H THR 18 -0.487 30.185 5.839 106 HA THR 18 HA THR 18 -1.549 28.601 3.682 107 HB THR 18 HB THR 18 -3.312 29.064 6.110 108 HG1 THR 18 HG1 THR 18 -1.605 27.007 5.424 109 HG21 THR 18 HG21 THR 18 -3.758 27.488 3.567 110 HG22 THR 18 HG22 THR 18 -4.501 29.038 3.959 111 HG23 THR 18 HG23 THR 18 -4.889 27.607 4.915 112 HA PRO 19 HA PRO 19 -1.863 29.130 1.745 113 HB2 PRO 19 HB2 PRO 19 -0.678 30.764 -0.064 114 HB3 PRO 19 HB3 PRO 19 -2.431 30.551 0.018 115 HG2 PRO 19 HG2 PRO 19 -0.739 32.745 1.150 116 HG3 PRO 19 HG3 PRO 19 -2.270 32.859 0.262 117 HD2 PRO 19 HD2 PRO 19 -2.162 33.039 2.946 118 HD3 PRO 19 HD3 PRO 19 -3.531 32.284 2.108 119 H CYS 20 H CYS 20 0.284 28.553 0.737 120 HA CYS 20 HA CYS 20 2.227 28.355 2.699 121 HB2 CYS 20 HB2 CYS 20 1.852 26.976 0.570 122 HB3 CYS 20 HB3 CYS 20 2.821 28.208 -0.235 123 H GLY 21 H GLY 21 3.809 29.682 3.386 124 HA2 GLY 21 HA2 GLY 21 3.847 32.315 2.200 125 HA3 GLY 21 HA3 GLY 21 4.520 31.841 3.750 126 H CYS 22 H CYS 22 5.686 29.532 1.800 127 HA CYS 22 HA CYS 22 8.300 30.625 1.746 128 HB2 CYS 22 HB2 CYS 22 7.106 28.249 0.353 129 HB3 CYS 22 HB3 CYS 22 8.811 28.671 0.228 130 H ALA 23 H ALA 23 5.692 31.019 -0.402 131 HA ALA 23 HA ALA 23 7.374 31.775 -2.643 132 HB1 ALA 23 HB1 ALA 23 4.380 31.902 -2.310 133 HB2 ALA 23 HB2 ALA 23 5.277 30.580 -3.060 134 HB3 ALA 23 HB3 ALA 23 5.264 32.177 -3.811 135 H THR 24 H THR 24 6.467 33.170 0.173 136 HA THR 24 HA THR 24 6.473 35.869 -0.944 137 HB THR 24 HB THR 24 5.082 34.787 1.511 138 HG1 THR 24 HG1 THR 24 3.515 34.483 0.138 139 HG21 THR 24 HG21 THR 24 4.158 37.022 1.758 140 HG22 THR 24 HG22 THR 24 5.130 37.573 0.388 141 HG23 THR 24 HG23 THR 24 5.919 37.028 1.870 142 H SER 25 H SER 25 7.633 33.665 1.529 143 HA SER 25 HA SER 25 9.402 35.767 2.575 144 HB2 SER 25 HB2 SER 25 8.160 33.393 3.955 145 HB3 SER 25 HB3 SER 25 9.347 34.473 4.704 146 HG SER 25 HG SER 25 7.729 36.166 3.947 147 H GLY 26 H GLY 26 9.596 33.262 0.544 148 HA2 GLY 26 HA2 GLY 26 11.613 32.407 -0.269 149 HA3 GLY 26 HA3 GLY 26 12.378 32.820 1.257 150 H CYS 27 H CYS 27 12.422 30.371 -0.255 151 HA CYS 27 HA CYS 27 10.998 28.488 1.475 152 HB2 CYS 27 HB2 CYS 27 10.626 28.185 -0.876 153 HB3 CYS 27 HB3 CYS 27 12.358 28.166 -1.191 154 H ASN 28 H ASN 28 12.042 26.891 2.651 155 HA ASN 28 HA ASN 28 14.971 26.693 2.541 156 HB2 ASN 28 HB2 ASN 28 13.523 27.163 5.161 157 HB3 ASN 28 HB3 ASN 28 15.249 26.950 4.945 158 HD21 ASN 28 HD21 ASN 28 12.581 29.107 4.742 159 HD22 ASN 28 HD22 ASN 28 13.494 30.548 4.457 160 H CYS 29 H CYS 29 12.660 24.944 1.880 161 HA CYS 29 HA CYS 29 12.554 22.996 4.006 162 HB2 CYS 29 HB2 CYS 29 11.291 23.018 1.284 163 HB3 CYS 29 HB3 CYS 29 11.002 21.796 2.522 164 H THR 30 H THR 30 12.433 20.608 3.037 165 HA THR 30 HA THR 30 15.177 20.035 2.299 166 HB THR 30 HB THR 30 14.300 17.619 2.821 167 HG1 THR 30 HG1 THR 30 12.529 18.928 4.529 168 HG21 THR 30 HG21 THR 30 14.580 19.721 4.979 169 HG22 THR 30 HG22 THR 30 15.910 18.865 4.199 170 HG23 THR 30 HG23 THR 30 14.762 17.981 5.204 171 H ASP 31 H ASP 31 15.331 17.829 1.012 172 HA ASP 31 HA ASP 31 14.406 18.459 -1.638 173 HB2 ASP 31 HB2 ASP 31 15.960 16.035 -0.718 174 HB3 ASP 31 HB3 ASP 31 15.839 16.656 -2.359 175 H ASP 32 H ASP 32 12.768 17.060 0.745 176 HA ASP 32 HA ASP 32 11.532 15.009 -0.980 177 HB2 ASP 32 HB2 ASP 32 12.503 14.171 1.123 178 HB3 ASP 32 HB3 ASP 32 11.457 15.252 2.032 179 H CYS 33 H CYS 33 11.132 18.074 -0.101 180 HA CYS 33 HA CYS 33 8.572 18.329 0.951 181 HB2 CYS 33 HB2 CYS 33 10.275 20.141 0.746 182 HB3 CYS 33 HB3 CYS 33 9.894 20.243 -0.969 183 H LYS 34 H LYS 34 6.853 17.330 0.140 184 HA LYS 34 HA LYS 34 6.407 16.947 -2.690 185 HB2 LYS 34 HB2 LYS 34 4.613 16.391 -0.318 186 HB3 LYS 34 HB3 LYS 34 4.322 15.840 -1.961 187 HG2 LYS 34 HG2 LYS 34 6.720 15.050 -0.323 188 HG3 LYS 34 HG3 LYS 34 5.222 14.123 -0.381 189 HD2 LYS 34 HD2 LYS 34 5.504 13.689 -2.722 190 HD3 LYS 34 HD3 LYS 34 6.865 14.812 -2.818 191 HE2 LYS 34 HE2 LYS 34 7.997 13.328 -1.082 192 HE3 LYS 34 HE3 LYS 34 6.738 12.147 -1.434 193 HZ1 LYS 34 HZ1 LYS 34 7.444 12.226 -3.778 194 HZ2 LYS 34 HZ2 LYS 34 8.666 11.687 -2.738 195 HZ3 LYS 34 HZ3 LYS 34 8.712 13.255 -3.347 196 H CYS 35 H CYS 35 6.408 19.754 -1.487 197 HA CYS 35 HA CYS 35 3.603 20.451 -1.816 198 HB2 CYS 35 HB2 CYS 35 5.280 21.210 0.122 199 HB3 CYS 35 HB3 CYS 35 5.632 22.486 -1.033 200 H GLN 36 H GLN 36 3.213 20.557 -3.919 201 HA GLN 36 HA GLN 36 5.024 21.349 -5.925 202 HB2 GLN 36 HB2 GLN 36 1.999 21.260 -6.001 203 HB3 GLN 36 HB3 GLN 36 3.022 21.461 -7.410 204 HG2 GLN 36 HG2 GLN 36 3.227 19.050 -5.627 205 HG3 GLN 36 HG3 GLN 36 2.060 19.140 -6.942 206 HE21 GLN 36 HE21 GLN 36 4.265 17.299 -6.588 207 HE22 GLN 36 HE22 GLN 36 5.293 17.478 -7.967 208 H SER 37 H SER 37 3.683 23.297 -3.640 209 HA SER 37 HA SER 37 3.082 25.523 -5.418 210 HB2 SER 37 HB2 SER 37 2.615 25.265 -2.444 211 HB3 SER 37 HB3 SER 37 2.060 26.591 -3.463 212 HG SER 37 HG SER 37 0.655 24.576 -2.974 213 H CYS 38 H CYS 38 5.368 24.803 -2.738 214 HA CYS 38 HA CYS 38 6.246 27.554 -2.811 215 HB2 CYS 38 HB2 CYS 38 7.768 26.914 -0.971 216 HB3 CYS 38 HB3 CYS 38 6.080 26.548 -0.637 217 H LYS 39 H LYS 39 7.545 24.432 -3.745 218 HA LYS 39 HA LYS 39 10.110 25.591 -4.409 219 HB2 LYS 39 HB2 LYS 39 10.908 23.446 -4.469 220 HB3 LYS 39 HB3 LYS 39 9.483 23.199 -3.475 221 HG2 LYS 39 HG2 LYS 39 9.813 22.549 -6.390 222 HG3 LYS 39 HG3 LYS 39 9.623 21.429 -5.040 223 HD2 LYS 39 HD2 LYS 39 7.377 22.015 -4.734 224 HD3 LYS 39 HD3 LYS 39 7.500 23.433 -5.766 225 HE2 LYS 39 HE2 LYS 39 7.522 20.523 -6.556 226 HE3 LYS 39 HE3 LYS 39 6.418 21.790 -7.087 227 HZ1 LYS 39 HZ1 LYS 39 9.296 21.562 -7.813 228 HZ2 LYS 39 HZ2 LYS 39 8.286 22.837 -8.261 229 HZ3 LYS 39 HZ3 LYS 39 7.977 21.280 -8.838 230 H TYR 40 H TYR 40 7.284 25.745 -5.935 231 HA TYR 40 HA TYR 40 8.054 25.020 -8.611 232 HB2 TYR 40 HB2 TYR 40 5.735 24.846 -7.808 233 HB3 TYR 40 HB3 TYR 40 5.661 26.599 -7.642 234 HD1 TYR 40 HD1 TYR 40 6.027 23.824 -10.062 235 HD2 TYR 40 HD2 TYR 40 5.039 27.921 -9.501 236 HE1 TYR 40 HE1 TYR 40 5.177 23.927 -12.365 237 HE2 TYR 40 HE2 TYR 40 4.191 28.038 -11.804 238 HH TYR 40 HH TYR 40 4.424 26.884 -13.909 239 H GLY 41 H GLY 41 8.160 26.565 -10.370 240 HA2 GLY 41 HA2 GLY 41 8.571 28.750 -11.198 241 HA3 GLY 41 HA3 GLY 41 8.936 29.271 -9.558 242 H ALA 42 H ALA 42 10.768 27.502 -8.707 243 HA ALA 42 HA ALA 42 13.027 27.989 -10.533 244 HB1 ALA 42 HB1 ALA 42 13.182 29.160 -8.407 245 HB2 ALA 42 HB2 ALA 42 14.435 27.920 -8.532 246 HB3 ALA 42 HB3 ALA 42 13.003 27.632 -7.544 247 H GLY 43 H GLY 43 11.127 25.639 -10.332 248 HA2 GLY 43 HA2 GLY 43 13.215 23.601 -10.327 249 HA3 GLY 43 HA3 GLY 43 11.829 23.367 -9.279 250 H CYS 44 H CYS 44 10.135 24.624 -11.360 251 HA CYS 44 HA CYS 44 9.896 22.224 -13.030 252 HB2 CYS 44 HB2 CYS 44 7.807 23.556 -11.324 253 HB3 CYS 44 HB3 CYS 44 7.336 22.698 -12.790 254 H THR 45 H THR 45 7.847 22.755 -14.522 255 HA THR 45 HA THR 45 8.021 25.428 -15.596 256 HB THR 45 HB THR 45 9.680 24.105 -16.898 257 HG1 THR 45 HG1 THR 45 8.830 24.671 -18.927 258 HG21 THR 45 HG21 THR 45 8.892 22.293 -18.368 259 HG22 THR 45 HG22 THR 45 7.293 22.401 -17.628 260 HG23 THR 45 HG23 THR 45 8.678 21.890 -16.664 261 H ASP 46 H ASP 46 6.285 25.688 -17.257 262 HA ASP 46 HA ASP 46 3.812 24.823 -16.148 263 HB2 ASP 46 HB2 ASP 46 2.801 26.029 -18.106 264 HB3 ASP 46 HB3 ASP 46 3.907 27.005 -17.147 265 H THR 47 H THR 47 5.932 23.396 -18.305 266 HA THR 47 HA THR 47 3.969 21.881 -19.779 267 HB THR 47 HB THR 47 6.948 21.392 -19.705 268 HG1 THR 47 HG1 THR 47 6.580 22.850 -21.750 269 HG21 THR 47 HG21 THR 47 5.570 19.719 -20.863 270 HG22 THR 47 HG22 THR 47 6.571 20.620 -22.000 271 HG23 THR 47 HG23 THR 47 4.854 20.994 -21.849 272 H CYS 48 H CYS 48 5.684 21.541 -16.805 273 HA CYS 48 HA CYS 48 5.575 18.644 -16.798 274 HB2 CYS 48 HB2 CYS 48 7.483 19.737 -15.746 275 HB3 CYS 48 HB3 CYS 48 6.415 20.612 -14.657 276 H LYS 49 H LYS 49 3.886 21.326 -15.283 277 HA LYS 49 HA LYS 49 2.360 19.693 -13.492 278 HB2 LYS 49 HB2 LYS 49 1.274 21.705 -12.849 279 HB3 LYS 49 HB3 LYS 49 2.981 22.066 -13.080 280 HG2 LYS 49 HG2 LYS 49 2.432 22.929 -15.343 281 HG3 LYS 49 HG3 LYS 49 0.725 22.694 -14.968 282 HD2 LYS 49 HD2 LYS 49 2.673 24.509 -13.569 283 HD3 LYS 49 HD3 LYS 49 1.304 24.986 -14.572 284 HE2 LYS 49 HE2 LYS 49 -0.235 24.009 -12.944 285 HE3 LYS 49 HE3 LYS 49 1.130 23.500 -11.951 286 HZ1 LYS 49 HZ1 LYS 49 0.277 25.496 -11.055 287 HZ2 LYS 49 HZ2 LYS 49 0.288 26.272 -12.553 288 HZ3 LYS 49 HZ3 LYS 49 1.744 25.884 -11.791 289 H GLN 50 H GLN 50 2.130 19.932 -16.746 290 HA GLN 50 HA GLN 50 -0.524 20.504 -17.344 291 HB2 GLN 50 HB2 GLN 50 1.190 18.437 -18.688 292 HB3 GLN 50 HB3 GLN 50 -0.221 19.233 -19.375 293 HG2 GLN 50 HG2 GLN 50 1.101 21.404 -18.950 294 HG3 GLN 50 HG3 GLN 50 2.491 20.335 -18.825 295 HE21 GLN 50 HE21 GLN 50 1.998 22.349 -20.769 296 HE22 GLN 50 HE22 GLN 50 1.954 21.575 -22.308 297 H THR 51 H THR 51 0.933 17.589 -16.108 298 HA THR 51 HA THR 51 0.092 15.764 -15.088 299 HB THR 51 HB THR 51 -2.664 16.999 -15.270 300 HG1 THR 51 HG1 THR 51 -1.026 18.417 -14.307 301 HG21 THR 51 HG21 THR 51 -3.049 15.698 -13.223 302 HG22 THR 51 HG22 THR 51 -1.401 15.076 -13.305 303 HG23 THR 51 HG23 THR 51 -2.569 14.647 -14.555 304 HA PRO 52 HA PRO 52 0.225 13.689 -14.979 305 HB2 PRO 52 HB2 PRO 52 1.727 12.245 -17.066 306 HB3 PRO 52 HB3 PRO 52 0.914 11.610 -15.633 307 HG2 PRO 52 HG2 PRO 52 -0.063 11.193 -18.092 308 HG3 PRO 52 HG3 PRO 52 -1.127 11.451 -16.698 309 HD2 PRO 52 HD2 PRO 52 -0.325 13.376 -18.847 310 HD3 PRO 52 HD3 PRO 52 -1.921 13.110 -18.114 311 H CYS 53 H CYS 53 1.682 14.342 -18.152 312 HA CYS 53 HA CYS 53 3.233 16.506 -17.218 313 HB2 CYS 53 HB2 CYS 53 4.412 14.525 -16.225 314 HB3 CYS 53 HB3 CYS 53 4.760 13.992 -17.863 315 H GLY 54 H GLY 54 3.840 17.739 -18.963 316 HA2 GLY 54 HA2 GLY 54 3.371 16.539 -21.590 317 HA3 GLY 54 HA3 GLY 54 3.420 18.260 -21.230 318 H CYS 55 H CYS 55 5.969 17.326 -19.540 319 HA CYS 55 HA CYS 55 7.849 18.221 -21.422 320 HB2 CYS 55 HB2 CYS 55 8.160 16.779 -18.797 321 HB3 CYS 55 HB3 CYS 55 9.519 17.413 -19.713 322 H GLY 56 H GLY 56 7.891 15.058 -19.798 323 HA2 GLY 56 HA2 GLY 56 8.531 12.978 -20.536 324 HA3 GLY 56 HA3 GLY 56 7.878 13.457 -22.097 325 H SER 57 H SER 57 9.266 13.521 -23.725 326 HA SER 57 HA SER 57 12.124 13.454 -23.153 327 HB2 SER 57 HB2 SER 57 10.670 13.078 -25.780 328 HB3 SER 57 HB3 SER 57 12.373 12.740 -25.469 329 HG SER 57 HG SER 57 11.523 11.253 -23.783 330 H GLY 58 H GLY 58 10.014 15.830 -23.424 331 HA2 GLY 58 HA2 GLY 58 11.985 17.655 -24.640 332 HA3 GLY 58 HA3 GLY 58 10.280 17.770 -25.071 333 H CYS 59 H CYS 59 12.443 17.783 -22.300 334 HA CYS 59 HA CYS 59 10.447 19.005 -20.615 335 HB2 CYS 59 HB2 CYS 59 11.690 17.378 -19.533 336 HB3 CYS 59 HB3 CYS 59 13.221 17.950 -20.187 337 H ASN 60 H ASN 60 10.684 20.953 -19.497 338 HA ASN 60 HA ASN 60 12.671 22.862 -20.488 339 HB2 ASN 60 HB2 ASN 60 9.677 23.279 -20.527 340 HB3 ASN 60 HB3 ASN 60 10.816 24.617 -20.569 341 HD21 ASN 60 HD21 ASN 60 12.122 24.890 -22.397 342 HD22 ASN 60 HD22 ASN 60 11.716 24.158 -23.910 343 H CYS 61 H CYS 61 12.197 21.352 -17.978 344 HA CYS 61 HA CYS 61 11.210 23.228 -16.049 345 HB2 CYS 61 HB2 CYS 61 12.363 20.496 -15.955 346 HB3 CYS 61 HB3 CYS 61 12.393 21.459 -14.481 347 H LYS 62 H LYS 62 12.797 23.123 -13.954 348 HA LYS 62 HA LYS 62 14.996 24.838 -14.791 349 HB2 LYS 62 HB2 LYS 62 13.622 24.458 -12.133 350 HB3 LYS 62 HB3 LYS 62 14.941 25.574 -12.391 351 HG2 LYS 62 HG2 LYS 62 12.516 25.807 -14.101 352 HG3 LYS 62 HG3 LYS 62 12.443 26.364 -12.432 353 HD2 LYS 62 HD2 LYS 62 13.013 28.222 -13.860 354 HD3 LYS 62 HD3 LYS 62 14.407 27.809 -12.867 355 HE2 LYS 62 HE2 LYS 62 15.440 26.672 -14.726 356 HE3 LYS 62 HE3 LYS 62 14.006 26.927 -15.724 357 HZ1 LYS 62 HZ1 LYS 62 15.773 28.513 -16.219 358 HZ2 LYS 62 HZ2 LYS 62 15.751 29.069 -14.625 359 HZ3 LYS 62 HZ3 LYS 62 14.403 29.299 -15.620 360 H GLU 63 H GLU 63 14.646 22.884 -11.864 361 HA GLU 63 HA GLU 63 16.490 20.890 -12.511 362 HB2 GLU 63 HB2 GLU 63 18.016 22.967 -12.403 363 HB3 GLU 63 HB3 GLU 63 17.721 22.960 -10.672 364 HG2 GLU 63 HG2 GLU 63 18.905 20.990 -10.346 365 HG3 GLU 63 HG3 GLU 63 18.752 20.502 -12.031 366 H ASP 64 H ASP 64 14.870 22.833 -10.090 367 HA ASP 64 HA ASP 64 14.964 20.795 -8.029 368 HB2 ASP 64 HB2 ASP 64 14.809 23.381 -7.670 369 HB3 ASP 64 HB3 ASP 64 13.124 23.197 -8.065 370 H CYS 65 H CYS 65 14.016 19.535 -10.152 371 HA CYS 65 HA CYS 65 11.091 19.509 -9.926 372 HB2 CYS 65 HB2 CYS 65 11.941 19.725 -12.206 373 HB3 CYS 65 HB3 CYS 65 12.875 18.243 -12.011 374 H ARG 66 H ARG 66 9.998 17.755 -9.220 375 HA ARG 66 HA ARG 66 11.641 15.608 -8.043 376 HB2 ARG 66 HB2 ARG 66 8.875 16.444 -7.197 377 HB3 ARG 66 HB3 ARG 66 9.999 15.405 -6.327 378 HG2 ARG 66 HG2 ARG 66 11.527 17.333 -6.121 379 HG3 ARG 66 HG3 ARG 66 10.280 18.348 -6.841 380 HD2 ARG 66 HD2 ARG 66 8.770 17.763 -5.009 381 HD3 ARG 66 HD3 ARG 66 10.037 16.764 -4.292 382 HE ARG 66 HE ARG 66 9.749 19.549 -3.998 383 HH11 ARG 66 HH11 ARG 66 12.249 17.122 -4.419 384 HH12 ARG 66 HH12 ARG 66 13.521 18.086 -3.778 385 HH21 ARG 66 HH21 ARG 66 11.445 20.862 -3.096 386 HH22 ARG 66 HH22 ARG 66 13.048 20.233 -3.012 387 H CYS 67 H CYS 67 10.269 15.949 -10.740 388 HA CYS 67 HA CYS 67 8.440 13.676 -10.663 389 HB2 CYS 67 HB2 CYS 67 7.675 15.727 -11.769 390 HB3 CYS 67 HB3 CYS 67 9.052 15.654 -12.857 391 H GLN 68 H GLN 68 8.903 11.760 -11.676 392 HA GLN 68 HA GLN 68 11.620 11.532 -12.765 393 HB2 GLN 68 HB2 GLN 68 11.414 9.112 -12.395 394 HB3 GLN 68 HB3 GLN 68 11.135 10.009 -10.912 395 HG2 GLN 68 HG2 GLN 68 8.669 9.517 -12.341 396 HG3 GLN 68 HG3 GLN 68 9.533 8.025 -11.997 397 HE21 GLN 68 HE21 GLN 68 9.785 10.842 -9.958 398 HE22 GLN 68 HE22 GLN 68 8.935 10.176 -8.614 399 H SER 69 H SER 69 8.893 12.362 -14.036 400 HA SER 69 HA SER 69 8.670 10.400 -16.142 401 HB2 SER 69 HB2 SER 69 7.208 13.025 -15.837 402 HB3 SER 69 HB3 SER 69 6.754 11.660 -16.855 403 HG SER 69 HG SER 69 6.329 12.084 -14.186 404 H CYS 70 H CYS 70 9.785 13.724 -15.666 405 HA CYS 70 HA CYS 70 10.689 13.704 -18.435 406 HB2 CYS 70 HB2 CYS 70 10.860 16.154 -18.250 407 HB3 CYS 70 HB3 CYS 70 9.245 15.546 -17.923 408 H SER 71 H SER 71 11.791 14.076 -15.134 409 HA SER 71 HA SER 71 14.449 14.799 -15.675 410 HB2 SER 71 HB2 SER 71 13.412 13.125 -13.380 411 HB3 SER 71 HB3 SER 71 14.924 14.034 -13.418 412 HG SER 71 HG SER 71 12.382 14.887 -12.909 413 H THR 72 H THR 72 16.355 13.471 -15.660 414 HA THR 72 HA THR 72 15.925 11.051 -17.185 415 HB THR 72 HB THR 72 17.798 12.628 -17.747 416 HG1 THR 72 HG1 THR 72 18.084 10.631 -18.596 417 HG21 THR 72 HG21 THR 72 19.082 11.457 -15.274 418 HG22 THR 72 HG22 THR 72 18.484 13.108 -15.422 419 HG23 THR 72 HG23 THR 72 19.833 12.568 -16.420 420 H ALA 73 H ALA 73 16.624 9.015 -16.744 421 HA ALA 73 HA ALA 73 15.956 7.992 -14.273 422 HB1 ALA 73 HB1 ALA 73 16.958 5.903 -15.033 423 HB2 ALA 73 HB2 ALA 73 17.773 6.760 -16.341 424 HB3 ALA 73 HB3 ALA 73 16.013 6.655 -16.316 425 H CYS 74 H CYS 74 16.886 7.918 -12.449 426 HA CYS 74 HA CYS 74 19.461 8.927 -11.903 427 HB2 CYS 74 HB2 CYS 74 17.523 7.307 -10.272 428 HB3 CYS 74 HB3 CYS 74 19.073 7.859 -9.645 429 H LYS 75 H LYS 75 21.178 7.769 -10.868 430 HA LYS 75 HA LYS 75 21.640 5.204 -12.173 431 HB2 LYS 75 HB2 LYS 75 23.415 7.092 -10.655 432 HB3 LYS 75 HB3 LYS 75 23.936 5.447 -10.995 433 HG2 LYS 75 HG2 LYS 75 23.132 7.491 -13.059 434 HG3 LYS 75 HG3 LYS 75 24.788 7.037 -12.646 435 HD2 LYS 75 HD2 LYS 75 24.365 4.753 -13.367 436 HD3 LYS 75 HD3 LYS 75 22.686 5.149 -13.710 437 HE2 LYS 75 HE2 LYS 75 23.469 6.813 -15.381 438 HE3 LYS 75 HE3 LYS 75 25.120 6.266 -15.092 439 HZ1 LYS 75 HZ1 LYS 75 24.283 5.163 -17.011 440 HZ2 LYS 75 HZ2 LYS 75 22.883 4.675 -16.208 441 HZ3 LYS 75 HZ3 LYS 75 24.375 4.014 -15.774 442 H CYS 76 H CYS 76 19.824 5.790 -9.803 443 HA CYS 76 HA CYS 76 20.873 4.278 -7.677 444 HB2 CYS 76 HB2 CYS 76 17.981 4.906 -8.288 445 HB3 CYS 76 HB3 CYS 76 18.636 4.402 -6.739 446 H ALA 77 H ALA 77 20.872 2.169 -7.376 447 HA ALA 77 HA ALA 77 19.100 0.241 -8.317 448 HB1 ALA 77 HB1 ALA 77 19.937 0.801 -10.533 449 HB2 ALA 77 HB2 ALA 77 20.518 -0.802 -10.066 450 HB3 ALA 77 HB3 ALA 77 21.596 0.598 -9.969 451 H ALA 78 H ALA 78 19.583 -1.694 -7.313 452 HA ALA 78 HA ALA 78 20.570 -3.134 -5.851 453 HB1 ALA 78 HB1 ALA 78 22.895 -3.711 -6.307 454 HB2 ALA 78 HB2 ALA 78 23.089 -2.234 -7.249 455 HB3 ALA 78 HB3 ALA 78 21.996 -3.499 -7.809 456 H GLY 79 H GLY 79 20.051 -0.666 -4.699 457 HA2 GLY 79 HA2 GLY 79 20.463 0.224 -2.584 458 HA3 GLY 79 HA3 GLY 79 21.936 -0.727 -2.509 459 H SER 80 H SER 80 21.291 1.442 -5.198 460 HA SER 80 HA SER 80 23.490 3.088 -4.245 461 HB2 SER 80 HB2 SER 80 22.445 2.640 -7.030 462 HB3 SER 80 HB3 SER 80 23.748 3.719 -6.628 463 HG SER 80 HG SER 80 23.650 0.918 -6.528 464 H CYS 81 H CYS 81 20.986 3.627 -3.130 465 HA CYS 81 HA CYS 81 20.517 6.296 -4.272 466 HB2 CYS 81 HB2 CYS 81 18.548 4.609 -4.323 467 HB3 CYS 81 HB3 CYS 81 18.456 4.900 -2.597 468 H LYS 82 H LYS 82 22.278 6.944 -2.890 469 HA LYS 82 HA LYS 82 22.466 6.310 -0.136 470 HB2 LYS 82 HB2 LYS 82 24.295 7.855 -0.090 471 HB3 LYS 82 HB3 LYS 82 24.376 6.802 -1.499 472 HG2 LYS 82 HG2 LYS 82 23.610 8.538 -2.932 473 HG3 LYS 82 HG3 LYS 82 23.257 9.583 -1.553 474 HD2 LYS 82 HD2 LYS 82 25.550 9.710 -0.989 475 HD3 LYS 82 HD3 LYS 82 25.963 8.516 -2.219 476 HE2 LYS 82 HE2 LYS 82 25.214 10.049 -3.964 477 HE3 LYS 82 HE3 LYS 82 24.785 11.240 -2.738 478 HZ1 LYS 82 HZ1 LYS 82 27.514 10.205 -3.259 479 HZ2 LYS 82 HZ2 LYS 82 27.103 11.343 -2.087 480 HZ3 LYS 82 HZ3 LYS 82 26.924 11.720 -3.723 481 H CYS 83 H CYS 83 20.283 8.452 -1.449 482 HA CYS 83 HA CYS 83 20.685 10.679 0.275 483 HB2 CYS 83 HB2 CYS 83 18.442 11.369 -0.430 484 HB3 CYS 83 HB3 CYS 83 19.426 10.879 -1.809 485 H GLY 84 H GLY 84 19.072 7.621 0.547 486 HA2 GLY 84 HA2 GLY 84 18.936 6.873 2.912 487 HA3 GLY 84 HA3 GLY 84 18.210 8.439 3.246 488 H LYS 85 H LYS 85 16.884 8.055 0.491 489 HA LYS 85 HA LYS 85 14.411 7.044 1.456 490 HB2 LYS 85 HB2 LYS 85 15.374 7.509 -1.367 491 HB3 LYS 85 HB3 LYS 85 13.709 7.203 -0.903 492 HG2 LYS 85 HG2 LYS 85 15.347 9.566 -0.030 493 HG3 LYS 85 HG3 LYS 85 14.156 9.567 -1.332 494 HD2 LYS 85 HD2 LYS 85 12.661 8.547 0.646 495 HD3 LYS 85 HD3 LYS 85 13.775 9.539 1.595 496 HE2 LYS 85 HE2 LYS 85 13.206 11.476 0.384 497 HE3 LYS 85 HE3 LYS 85 12.314 10.533 -0.811 498 HZ1 LYS 85 HZ1 LYS 85 10.729 9.932 0.928 499 HZ2 LYS 85 HZ2 LYS 85 10.795 11.604 0.701 500 HZ3 LYS 85 HZ3 LYS 85 11.560 10.900 2.037 501 H GLY 86 H GLY 86 16.714 5.885 -0.919 502 HA2 GLY 86 HA2 GLY 86 17.509 3.696 -1.216 503 HA3 GLY 86 HA3 GLY 86 16.379 3.154 0.016 504 H CYS 87 H CYS 87 15.627 5.032 -2.835 505 HA CYS 87 HA CYS 87 13.491 3.302 -3.551 506 HB2 CYS 87 HB2 CYS 87 14.763 5.433 -5.254 507 HB3 CYS 87 HB3 CYS 87 13.097 4.859 -5.301 508 H THR 88 H THR 88 16.751 3.847 -4.671 509 HA THR 88 HA THR 88 18.104 2.801 -6.141 510 HB THR 88 HB THR 88 18.161 0.339 -6.015 511 HG1 THR 88 HG1 THR 88 15.579 0.689 -5.192 512 HG21 THR 88 HG21 THR 88 18.538 0.218 -3.580 513 HG22 THR 88 HG22 THR 88 17.737 1.778 -3.404 514 HG23 THR 88 HG23 THR 88 19.247 1.660 -4.305 515 H GLY 89 H GLY 89 16.295 4.025 -7.538 516 HA2 GLY 89 HA2 GLY 89 16.276 3.060 -10.038 517 HA3 GLY 89 HA3 GLY 89 14.920 2.190 -9.332 518 HA PRO 90 HA PRO 90 14.084 6.829 -10.562 519 HB2 PRO 90 HB2 PRO 90 13.142 6.488 -13.112 520 HB3 PRO 90 HB3 PRO 90 14.815 6.909 -12.730 521 HG2 PRO 90 HG2 PRO 90 13.636 4.237 -13.379 522 HG3 PRO 90 HG3 PRO 90 15.162 4.950 -13.933 523 HD2 PRO 90 HD2 PRO 90 15.083 3.117 -11.967 524 HD3 PRO 90 HD3 PRO 90 16.257 4.449 -11.956 525 H ASP 91 H ASP 91 12.407 3.848 -11.407 526 HA ASP 91 HA ASP 91 9.805 4.965 -11.501 527 HB2 ASP 91 HB2 ASP 91 10.781 2.136 -11.183 528 HB3 ASP 91 HB3 ASP 91 9.071 2.550 -11.251 529 H SER 92 H SER 92 11.789 3.827 -8.913 530 HA SER 92 HA SER 92 9.528 3.902 -7.059 531 HB2 SER 92 HB2 SER 92 12.384 3.085 -6.497 532 HB3 SER 92 HB3 SER 92 10.965 2.778 -5.495 533 HG SER 92 HG SER 92 10.178 1.610 -7.467 534 H CYS 93 H CYS 93 12.031 5.817 -8.237 535 HA CYS 93 HA CYS 93 12.767 7.213 -5.897 536 HB2 CYS 93 HB2 CYS 93 13.489 7.232 -8.658 537 HB3 CYS 93 HB3 CYS 93 13.158 8.883 -8.145 538 H LYS 94 H LYS 94 12.004 8.968 -4.994 539 HA LYS 94 HA LYS 94 9.864 10.469 -6.348 540 HB2 LYS 94 HB2 LYS 94 9.857 9.669 -3.422 541 HB3 LYS 94 HB3 LYS 94 8.631 10.641 -4.227 542 HG2 LYS 94 HG2 LYS 94 8.004 8.770 -5.619 543 HG3 LYS 94 HG3 LYS 94 9.296 7.791 -4.931 544 HD2 LYS 94 HD2 LYS 94 8.142 8.186 -2.678 545 HD3 LYS 94 HD3 LYS 94 6.760 8.745 -3.629 546 HE2 LYS 94 HE2 LYS 94 6.675 6.629 -4.798 547 HE3 LYS 94 HE3 LYS 94 8.121 6.083 -3.948 548 HZ1 LYS 94 HZ1 LYS 94 6.053 5.196 -3.002 549 HZ2 LYS 94 HZ2 LYS 94 5.553 6.774 -2.631 550 HZ3 LYS 94 HZ3 LYS 94 6.923 6.123 -1.888 551 H CYS 95 H CYS 95 12.755 10.837 -5.948 552 HA CYS 95 HA CYS 95 12.947 13.138 -4.150 553 HB2 CYS 95 HB2 CYS 95 15.176 11.861 -5.724 554 HB3 CYS 95 HB3 CYS 95 15.286 12.801 -4.238 555 H ASP 96 H ASP 96 14.816 14.741 -5.256 556 HA ASP 96 HA ASP 96 13.615 15.528 -7.813 557 HB2 ASP 96 HB2 ASP 96 14.295 17.820 -7.385 558 HB3 ASP 96 HB3 ASP 96 13.353 17.209 -6.039 559 H ARG 97 H ARG 97 15.339 17.171 -8.925 560 HA ARG 97 HA ARG 97 17.275 15.292 -9.970 561 HB2 ARG 97 HB2 ARG 97 16.830 18.138 -10.844 562 HB3 ARG 97 HB3 ARG 97 17.594 16.841 -11.750 563 HG2 ARG 97 HG2 ARG 97 15.397 15.642 -11.702 564 HG3 ARG 97 HG3 ARG 97 14.721 17.117 -10.994 565 HD2 ARG 97 HD2 ARG 97 14.468 16.836 -13.510 566 HD3 ARG 97 HD3 ARG 97 15.109 18.366 -12.940 567 HE ARG 97 HE ARG 97 17.312 16.818 -13.445 568 HH11 ARG 97 HH11 ARG 97 14.550 17.893 -15.340 569 HH12 ARG 97 HH12 ARG 97 15.453 18.022 -16.808 570 HH21 ARG 97 HH21 ARG 97 18.502 16.990 -15.392 571 HH22 ARG 97 HH22 ARG 97 17.706 17.499 -16.841 572 H SER 98 H SER 98 17.393 17.426 -7.487 573 HA SER 98 HA SER 98 20.305 17.691 -7.777 574 HB2 SER 98 HB2 SER 98 18.384 19.734 -6.643 575 HB3 SER 98 HB3 SER 98 20.145 19.885 -6.657 576 HG SER 98 HG SER 98 19.286 19.297 -9.112 577 H CYS 99 H CYS 99 18.689 15.666 -6.494 578 HA CYS 99 HA CYS 99 18.780 16.170 -3.653 579 HB2 CYS 99 HB2 CYS 99 16.984 14.802 -4.771 580 HB3 CYS 99 HB3 CYS 99 18.199 13.570 -5.086 581 H SER 100 H SER 100 19.642 13.870 -2.543 582 HA SER 100 HA SER 100 22.472 14.135 -2.751 583 HB2 SER 100 HB2 SER 100 21.415 13.689 -0.591 584 HB3 SER 100 HB3 SER 100 20.794 12.155 -1.190 585 HG SER 100 HG SER 100 23.551 12.821 -1.030 586 H CYS 101 H CYS 101 20.106 11.747 -3.863 587 HA CYS 101 HA CYS 101 22.073 9.856 -4.709 588 HB2 CYS 101 HB2 CYS 101 20.158 8.778 -5.891 589 HB3 CYS 101 HB3 CYS 101 19.838 9.083 -4.188 590 H LYS 102 H LYS 102 20.129 12.315 -6.329 591 HA LYS 102 HA LYS 102 21.813 12.033 -8.708 592 HB2 LYS 102 HB2 LYS 102 19.639 11.474 -9.352 593 HB3 LYS 102 HB3 LYS 102 18.916 12.675 -8.299 594 HG2 LYS 102 HG2 LYS 102 18.615 13.366 -10.515 595 HG3 LYS 102 HG3 LYS 102 19.824 14.426 -9.787 596 HD2 LYS 102 HD2 LYS 102 20.533 13.884 -12.019 597 HD3 LYS 102 HD3 LYS 102 21.577 13.017 -10.889 598 HE2 LYS 102 HE2 LYS 102 20.768 11.660 -12.847 599 HE3 LYS 102 HE3 LYS 102 20.421 10.967 -11.264 600 HZ1 LYS 102 HZ1 LYS 102 18.530 10.911 -12.889 601 HZ2 LYS 102 HZ2 LYS 102 18.456 12.599 -12.779 602 HZ3 LYS 102 HZ3 LYS 102 18.175 11.647 -11.411 Start of MODEL 2 1 HA2 GLY 1 HA2 GLY 1 24.530 13.592 6.315 2 HA3 GLY 1 HA3 GLY 1 26.227 13.850 5.937 3 H SER 2 H SER 2 24.144 11.280 4.718 4 HA SER 2 HA SER 2 24.954 11.794 2.027 5 HB2 SER 2 HB2 SER 2 24.440 9.514 2.885 6 HB3 SER 2 HB3 SER 2 22.749 9.987 3.039 7 HG SER 2 HG SER 2 24.020 10.332 0.567 8 H MET 3 H MET 3 22.174 12.567 3.997 9 HA MET 3 HA MET 3 21.281 14.404 1.940 10 HB2 MET 3 HB2 MET 3 18.986 13.674 1.966 11 HB3 MET 3 HB3 MET 3 20.002 12.311 1.534 12 HG2 MET 3 HG2 MET 3 18.860 12.801 4.281 13 HG3 MET 3 HG3 MET 3 18.142 11.745 3.068 14 HE1 MET 3 HE1 MET 3 18.740 10.725 5.977 15 HE2 MET 3 HE2 MET 3 19.492 9.163 5.653 16 HE3 MET 3 HE3 MET 3 18.104 9.688 4.701 17 H SER 4 H SER 4 19.999 16.085 2.719 18 HA SER 4 HA SER 4 20.327 16.554 5.579 19 HB2 SER 4 HB2 SER 4 21.174 18.284 4.049 20 HB3 SER 4 HB3 SER 4 19.578 18.433 3.316 21 HG SER 4 HG SER 4 18.805 19.351 5.151 22 H SER 5 H SER 5 18.497 17.644 6.704 23 HA SER 5 HA SER 5 16.085 16.200 6.359 24 HB2 SER 5 HB2 SER 5 16.570 18.717 7.972 25 HB3 SER 5 HB3 SER 5 15.232 17.586 8.177 26 HG SER 5 HG SER 5 17.880 16.652 8.324 27 H VAL 6 H VAL 6 14.279 16.720 5.244 28 HA VAL 6 HA VAL 6 14.518 18.796 3.301 29 HB VAL 6 HB VAL 6 13.439 16.647 2.753 30 HG11 VAL 6 HG11 VAL 6 12.274 16.200 4.828 31 HG12 VAL 6 HG12 VAL 6 11.145 16.178 3.472 32 HG13 VAL 6 HG13 VAL 6 11.206 17.575 4.546 33 HG21 VAL 6 HG21 VAL 6 11.546 17.557 1.487 34 HG22 VAL 6 HG22 VAL 6 12.971 18.595 1.386 35 HG23 VAL 6 HG23 VAL 6 11.631 19.037 2.443 36 H PHE 7 H PHE 7 12.569 18.372 6.215 37 HA PHE 7 HA PHE 7 11.247 20.892 5.754 38 HB2 PHE 7 HB2 PHE 7 10.077 20.447 7.900 39 HB3 PHE 7 HB3 PHE 7 9.889 19.146 6.732 40 HD1 PHE 7 HD1 PHE 7 11.152 20.097 9.989 41 HD2 PHE 7 HD2 PHE 7 11.102 17.010 7.060 42 HE1 PHE 7 HE1 PHE 7 11.925 18.487 11.678 43 HE2 PHE 7 HE2 PHE 7 11.878 15.395 8.744 44 HZ PHE 7 HZ PHE 7 12.290 16.132 11.056 45 H GLY 8 H GLY 8 11.438 22.695 6.972 46 HA2 GLY 8 HA2 GLY 8 14.061 23.141 8.111 47 HA3 GLY 8 HA3 GLY 8 12.818 24.338 7.812 48 H ALA 9 H ALA 9 12.435 25.312 9.634 49 HA ALA 9 HA ALA 9 12.084 23.682 12.053 50 HB1 ALA 9 HB1 ALA 9 13.157 26.488 11.809 51 HB2 ALA 9 HB2 ALA 9 14.074 25.046 12.236 52 HB3 ALA 9 HB3 ALA 9 12.835 25.660 13.330 53 H GLY 10 H GLY 10 10.492 25.302 9.777 54 HA2 GLY 10 HA2 GLY 10 8.150 25.606 11.391 55 HA3 GLY 10 HA3 GLY 10 8.823 27.143 10.858 56 H CYS 11 H CYS 11 8.315 23.935 9.366 57 HA CYS 11 HA CYS 11 7.542 25.205 6.917 58 HB2 CYS 11 HB2 CYS 11 7.514 22.301 7.721 59 HB3 CYS 11 HB3 CYS 11 7.238 22.913 6.094 60 H THR 12 H THR 12 5.506 24.714 5.868 61 HA THR 12 HA THR 12 3.288 24.918 7.686 62 HB THR 12 HB THR 12 1.932 25.091 5.635 63 HG1 THR 12 HG1 THR 12 4.075 25.202 3.909 64 HG21 THR 12 HG21 THR 12 4.439 26.763 5.609 65 HG22 THR 12 HG22 THR 12 2.945 27.117 6.480 66 HG23 THR 12 HG23 THR 12 2.966 27.132 4.715 67 H ASP 13 H ASP 13 1.349 23.523 7.259 68 HA ASP 13 HA ASP 13 2.106 20.748 7.248 69 HB2 ASP 13 HB2 ASP 13 -0.595 22.103 7.370 70 HB3 ASP 13 HB3 ASP 13 -0.351 20.367 7.512 71 H VAL 14 H VAL 14 1.463 23.068 5.016 72 HA VAL 14 HA VAL 14 0.290 21.412 2.973 73 HB VAL 14 HB VAL 14 1.501 24.175 2.708 74 HG11 VAL 14 HG11 VAL 14 -0.587 22.762 1.068 75 HG12 VAL 14 HG12 VAL 14 1.100 23.007 0.610 76 HG13 VAL 14 HG13 VAL 14 0.027 24.394 0.801 77 HG21 VAL 14 HG21 VAL 14 -1.343 23.440 3.388 78 HG22 VAL 14 HG22 VAL 14 -0.757 25.065 3.037 79 HG23 VAL 14 HG23 VAL 14 -0.181 24.209 4.467 80 H CYS 15 H CYS 15 3.413 22.294 4.147 81 HA CYS 15 HA CYS 15 4.869 21.707 1.752 82 HB2 CYS 15 HB2 CYS 15 5.779 23.271 3.375 83 HB3 CYS 15 HB3 CYS 15 5.732 22.041 4.633 84 H LYS 16 H LYS 16 3.559 19.946 4.391 85 HA LYS 16 HA LYS 16 5.249 17.638 4.068 86 HB2 LYS 16 HB2 LYS 16 2.611 17.801 5.543 87 HB3 LYS 16 HB3 LYS 16 3.867 16.589 5.748 88 HG2 LYS 16 HG2 LYS 16 4.157 19.513 6.423 89 HG3 LYS 16 HG3 LYS 16 3.803 18.233 7.579 90 HD2 LYS 16 HD2 LYS 16 5.949 17.307 7.396 91 HD3 LYS 16 HD3 LYS 16 6.253 18.088 5.841 92 HE2 LYS 16 HE2 LYS 16 7.538 19.238 7.515 93 HE3 LYS 16 HE3 LYS 16 6.207 20.278 6.992 94 HZ1 LYS 16 HZ1 LYS 16 6.233 18.638 9.472 95 HZ2 LYS 16 HZ2 LYS 16 4.975 19.649 8.975 96 HZ3 LYS 16 HZ3 LYS 16 6.469 20.308 9.400 97 H GLN 17 H GLN 17 2.921 18.968 2.229 98 HA GLN 17 HA GLN 17 1.475 16.636 1.384 99 HB2 GLN 17 HB2 GLN 17 1.831 19.373 0.195 100 HB3 GLN 17 HB3 GLN 17 0.999 18.103 -0.679 101 HG2 GLN 17 HG2 GLN 17 -0.576 17.958 1.273 102 HG3 GLN 17 HG3 GLN 17 0.195 19.417 1.896 103 HE21 GLN 17 HE21 GLN 17 -1.695 20.616 1.705 104 HE22 GLN 17 HE22 GLN 17 -2.320 21.131 0.177 105 H THR 18 H THR 18 1.614 15.939 -0.906 106 HA THR 18 HA THR 18 4.078 16.278 -2.301 107 HB THR 18 HB THR 18 3.615 13.397 -1.558 108 HG1 THR 18 HG1 THR 18 4.646 15.417 0.102 109 HG21 THR 18 HG21 THR 18 6.124 14.970 -2.123 110 HG22 THR 18 HG22 THR 18 5.182 14.145 -3.358 111 HG23 THR 18 HG23 THR 18 5.956 13.215 -2.071 112 HA PRO 19 HA PRO 19 4.492 16.608 -4.398 113 HB2 PRO 19 HB2 PRO 19 2.626 18.330 -5.871 114 HB3 PRO 19 HB3 PRO 19 4.095 17.530 -6.436 115 HG2 PRO 19 HG2 PRO 19 1.642 16.729 -7.201 116 HG3 PRO 19 HG3 PRO 19 2.986 15.593 -6.990 117 HD2 PRO 19 HD2 PRO 19 0.684 16.174 -5.172 118 HD3 PRO 19 HD3 PRO 19 1.441 14.618 -5.569 119 H CYS 20 H CYS 20 5.160 18.527 -3.567 120 HA CYS 20 HA CYS 20 4.021 19.427 -1.262 121 HB2 CYS 20 HB2 CYS 20 6.353 19.842 -2.119 122 HB3 CYS 20 HB3 CYS 20 5.679 21.175 -3.050 123 H GLY 21 H GLY 21 2.435 20.702 -0.745 124 HA2 GLY 21 HA2 GLY 21 0.687 21.540 -2.847 125 HA3 GLY 21 HA3 GLY 21 0.382 21.605 -1.118 126 H CYS 22 H CYS 22 3.191 23.075 -1.141 127 HA CYS 22 HA CYS 22 2.119 25.670 -0.913 128 HB2 CYS 22 HB2 CYS 22 4.974 24.766 -1.229 129 HB3 CYS 22 HB3 CYS 22 4.493 26.409 -0.820 130 H ALA 23 H ALA 23 2.973 23.898 -3.653 131 HA ALA 23 HA ALA 23 3.645 26.158 -5.305 132 HB1 ALA 23 HB1 ALA 23 4.645 23.958 -5.721 133 HB2 ALA 23 HB2 ALA 23 3.747 24.536 -7.122 134 HB3 ALA 23 HB3 ALA 23 3.046 23.304 -6.075 135 H THR 24 H THR 24 0.787 24.737 -4.196 136 HA THR 24 HA THR 24 -0.715 26.130 -6.299 137 HB THR 24 HB THR 24 -0.904 23.762 -6.768 138 HG1 THR 24 HG1 THR 24 -3.309 24.630 -5.508 139 HG21 THR 24 HG21 THR 24 -1.878 22.188 -5.165 140 HG22 THR 24 HG22 THR 24 -1.949 23.462 -3.948 141 HG23 THR 24 HG23 THR 24 -0.388 22.890 -4.535 142 H SER 25 H SER 25 -0.307 25.491 -2.942 143 HA SER 25 HA SER 25 -2.801 26.926 -2.344 144 HB2 SER 25 HB2 SER 25 -2.669 24.606 -1.470 145 HB3 SER 25 HB3 SER 25 -1.236 25.062 -0.553 146 HG SER 25 HG SER 25 -2.800 26.814 0.252 147 H GLY 26 H GLY 26 0.332 27.582 -2.726 148 HA2 GLY 26 HA2 GLY 26 1.385 29.570 -2.161 149 HA3 GLY 26 HA3 GLY 26 0.190 29.822 -0.898 150 H CYS 27 H CYS 27 3.117 29.987 -0.897 151 HA CYS 27 HA CYS 27 3.843 27.881 0.995 152 HB2 CYS 27 HB2 CYS 27 5.440 28.318 -0.795 153 HB3 CYS 27 HB3 CYS 27 5.512 30.018 -0.348 154 H ASN 28 H ASN 28 4.737 28.395 3.046 155 HA ASN 28 HA ASN 28 4.647 31.112 4.021 156 HB2 ASN 28 HB2 ASN 28 2.264 30.317 4.198 157 HB3 ASN 28 HB3 ASN 28 2.811 29.039 5.271 158 HD21 ASN 28 HD21 ASN 28 3.198 29.499 7.393 159 HD22 ASN 28 HD22 ASN 28 2.901 31.045 8.105 160 H CYS 29 H CYS 29 6.409 28.624 3.709 161 HA CYS 29 HA CYS 29 7.060 27.837 6.398 162 HB2 CYS 29 HB2 CYS 29 8.535 27.375 3.804 163 HB3 CYS 29 HB3 CYS 29 8.928 26.622 5.344 164 H THR 30 H THR 30 9.249 28.080 7.273 165 HA THR 30 HA THR 30 10.175 30.793 6.969 166 HB THR 30 HB THR 30 11.757 30.165 8.808 167 HG1 THR 30 HG1 THR 30 11.290 28.119 9.844 168 HG21 THR 30 HG21 THR 30 10.030 29.965 10.547 169 HG22 THR 30 HG22 THR 30 8.843 29.544 9.313 170 HG23 THR 30 HG23 THR 30 9.576 31.149 9.320 171 H ASP 31 H ASP 31 12.652 31.086 6.907 172 HA ASP 31 HA ASP 31 13.578 30.106 4.437 173 HB2 ASP 31 HB2 ASP 31 14.369 32.232 5.216 174 HB3 ASP 31 HB3 ASP 31 15.048 31.509 6.668 175 H ASP 32 H ASP 32 13.754 28.740 7.573 176 HA ASP 32 HA ASP 32 16.112 27.206 7.223 177 HB2 ASP 32 HB2 ASP 32 14.902 27.753 9.417 178 HB3 ASP 32 HB3 ASP 32 13.808 26.437 9.006 179 H CYS 33 H CYS 33 13.052 27.007 5.844 180 HA CYS 33 HA CYS 33 12.713 24.236 5.515 181 HB2 CYS 33 HB2 CYS 33 10.898 25.748 5.053 182 HB3 CYS 33 HB3 CYS 33 11.838 26.577 3.820 183 H LYS 34 H LYS 34 13.823 22.819 4.354 184 HA LYS 34 HA LYS 34 15.743 23.819 2.360 185 HB2 LYS 34 HB2 LYS 34 15.778 21.193 3.842 186 HB3 LYS 34 HB3 LYS 34 17.064 21.855 2.836 187 HG2 LYS 34 HG2 LYS 34 16.099 22.930 5.479 188 HG3 LYS 34 HG3 LYS 34 17.630 22.109 5.162 189 HD2 LYS 34 HD2 LYS 34 18.338 23.932 3.724 190 HD3 LYS 34 HD3 LYS 34 16.778 24.731 3.934 191 HE2 LYS 34 HE2 LYS 34 18.522 25.712 5.349 192 HE3 LYS 34 HE3 LYS 34 17.207 25.025 6.292 193 HZ1 LYS 34 HZ1 LYS 34 18.521 23.143 6.820 194 HZ2 LYS 34 HZ2 LYS 34 19.463 24.505 7.146 195 HZ3 LYS 34 HZ3 LYS 34 19.750 23.597 5.753 196 H CYS 35 H CYS 35 12.818 23.016 2.125 197 HA CYS 35 HA CYS 35 12.909 20.607 0.570 198 HB2 CYS 35 HB2 CYS 35 10.977 21.105 1.995 199 HB3 CYS 35 HB3 CYS 35 10.639 22.542 1.038 200 H GLN 36 H GLN 36 13.396 20.514 -1.489 201 HA GLN 36 HA GLN 36 13.739 22.875 -3.081 202 HB2 GLN 36 HB2 GLN 36 13.865 19.969 -3.904 203 HB3 GLN 36 HB3 GLN 36 14.467 21.334 -4.831 204 HG2 GLN 36 HG2 GLN 36 16.171 21.761 -3.200 205 HG3 GLN 36 HG3 GLN 36 15.503 20.533 -2.124 206 HE21 GLN 36 HE21 GLN 36 15.751 18.364 -2.658 207 HE22 GLN 36 HE22 GLN 36 16.929 17.825 -3.794 208 H SER 37 H SER 37 11.100 21.018 -2.310 209 HA SER 37 HA SER 37 9.879 20.937 -4.897 210 HB2 SER 37 HB2 SER 37 9.585 19.197 -3.066 211 HB3 SER 37 HB3 SER 37 8.518 20.357 -2.278 212 HG SER 37 HG SER 37 7.546 18.752 -3.739 213 H CYS 38 H CYS 38 9.351 22.836 -1.883 214 HA CYS 38 HA CYS 38 7.332 24.335 -3.313 215 HB2 CYS 38 HB2 CYS 38 6.899 25.519 -1.231 216 HB3 CYS 38 HB3 CYS 38 6.905 23.783 -0.951 217 H LYS 39 H LYS 39 10.616 24.399 -2.962 218 HA LYS 39 HA LYS 39 10.854 27.277 -3.415 219 HB2 LYS 39 HB2 LYS 39 12.780 25.093 -2.696 220 HB3 LYS 39 HB3 LYS 39 13.400 26.496 -3.549 221 HG2 LYS 39 HG2 LYS 39 13.716 26.769 -1.169 222 HG3 LYS 39 HG3 LYS 39 12.535 27.946 -1.748 223 HD2 LYS 39 HD2 LYS 39 10.774 26.227 -1.029 224 HD3 LYS 39 HD3 LYS 39 12.087 25.454 -0.140 225 HE2 LYS 39 HE2 LYS 39 12.430 27.393 1.193 226 HE3 LYS 39 HE3 LYS 39 11.361 28.355 0.171 227 HZ1 LYS 39 HZ1 LYS 39 10.551 26.095 1.923 228 HZ2 LYS 39 HZ2 LYS 39 9.514 26.927 0.887 229 HZ3 LYS 39 HZ3 LYS 39 10.231 27.738 2.185 230 H TYR 40 H TYR 40 9.672 25.269 -5.303 231 HA TYR 40 HA TYR 40 11.434 24.733 -7.408 232 HB2 TYR 40 HB2 TYR 40 9.563 24.047 -8.674 233 HB3 TYR 40 HB3 TYR 40 9.142 23.689 -7.006 234 HD1 TYR 40 HD1 TYR 40 8.098 25.226 -10.016 235 HD2 TYR 40 HD2 TYR 40 7.684 25.496 -5.789 236 HE1 TYR 40 HE1 TYR 40 6.014 26.490 -10.309 237 HE2 TYR 40 HE2 TYR 40 5.595 26.762 -6.075 238 HH TYR 40 HH TYR 40 4.527 28.182 -7.801 239 H GLY 41 H GLY 41 11.217 25.608 -9.637 240 HA2 GLY 41 HA2 GLY 41 10.715 27.603 -10.973 241 HA3 GLY 41 HA3 GLY 41 11.055 28.554 -9.527 242 H ALA 42 H ALA 42 13.241 27.209 -8.570 243 HA ALA 42 HA ALA 42 15.324 27.945 -10.454 244 HB1 ALA 42 HB1 ALA 42 15.494 26.923 -7.611 245 HB2 ALA 42 HB2 ALA 42 15.539 28.617 -8.095 246 HB3 ALA 42 HB3 ALA 42 16.846 27.530 -8.566 247 H GLY 43 H GLY 43 13.415 25.528 -10.386 248 HA2 GLY 43 HA2 GLY 43 15.403 23.537 -11.177 249 HA3 GLY 43 HA3 GLY 43 14.246 23.123 -9.940 250 H CYS 44 H CYS 44 12.846 25.244 -12.138 251 HA CYS 44 HA CYS 44 11.681 23.020 -13.637 252 HB2 CYS 44 HB2 CYS 44 10.175 24.888 -11.833 253 HB3 CYS 44 HB3 CYS 44 9.385 24.142 -13.214 254 H THR 45 H THR 45 9.746 24.181 -14.956 255 HA THR 45 HA THR 45 10.604 26.684 -16.098 256 HB THR 45 HB THR 45 11.867 24.976 -17.390 257 HG1 THR 45 HG1 THR 45 11.489 26.457 -18.837 258 HG21 THR 45 HG21 THR 45 10.360 23.082 -17.084 259 HG22 THR 45 HG22 THR 45 10.647 23.370 -18.799 260 HG23 THR 45 HG23 THR 45 9.131 23.885 -18.059 261 H ASP 46 H ASP 46 8.948 27.242 -17.865 262 HA ASP 46 HA ASP 46 6.337 27.115 -16.718 263 HB2 ASP 46 HB2 ASP 46 7.070 29.068 -18.005 264 HB3 ASP 46 HB3 ASP 46 7.218 28.080 -19.452 265 H THR 47 H THR 47 8.040 25.106 -18.839 266 HA THR 47 HA THR 47 5.769 23.980 -20.183 267 HB THR 47 HB THR 47 8.573 22.857 -20.106 268 HG1 THR 47 HG1 THR 47 7.499 25.124 -21.392 269 HG21 THR 47 HG21 THR 47 8.005 22.067 -22.344 270 HG22 THR 47 HG22 THR 47 6.424 22.838 -22.228 271 HG23 THR 47 HG23 THR 47 6.823 21.482 -21.173 272 H CYS 48 H CYS 48 7.400 23.403 -17.199 273 HA CYS 48 HA CYS 48 6.569 20.620 -17.019 274 HB2 CYS 48 HB2 CYS 48 8.732 21.194 -16.068 275 HB3 CYS 48 HB3 CYS 48 7.994 22.414 -15.039 276 H LYS 49 H LYS 49 5.562 23.751 -15.869 277 HA LYS 49 HA LYS 49 3.765 22.726 -13.872 278 HB2 LYS 49 HB2 LYS 49 3.066 25.061 -13.634 279 HB3 LYS 49 HB3 LYS 49 4.817 24.891 -13.574 280 HG2 LYS 49 HG2 LYS 49 4.974 25.626 -15.896 281 HG3 LYS 49 HG3 LYS 49 3.219 25.786 -15.964 282 HD2 LYS 49 HD2 LYS 49 5.054 27.302 -14.122 283 HD3 LYS 49 HD3 LYS 49 4.335 27.941 -15.601 284 HE2 LYS 49 HE2 LYS 49 2.084 27.523 -14.635 285 HE3 LYS 49 HE3 LYS 49 2.856 27.003 -13.139 286 HZ1 LYS 49 HZ1 LYS 49 3.100 29.699 -14.346 287 HZ2 LYS 49 HZ2 LYS 49 3.802 29.197 -12.892 288 HZ3 LYS 49 HZ3 LYS 49 2.123 29.294 -13.028 289 H GLN 50 H GLN 50 3.537 22.368 -17.028 290 HA GLN 50 HA GLN 50 0.926 23.395 -17.561 291 HB2 GLN 50 HB2 GLN 50 2.460 21.343 -19.131 292 HB3 GLN 50 HB3 GLN 50 1.137 22.355 -19.698 293 HG2 GLN 50 HG2 GLN 50 2.614 24.331 -19.164 294 HG3 GLN 50 HG3 GLN 50 3.925 23.168 -18.991 295 HE21 GLN 50 HE21 GLN 50 3.710 25.269 -20.834 296 HE22 GLN 50 HE22 GLN 50 3.711 24.588 -22.417 297 H THR 51 H THR 51 -0.520 21.545 -18.703 298 HA THR 51 HA THR 51 -0.743 19.318 -16.811 299 HB THR 51 HB THR 51 -3.095 20.886 -17.908 300 HG1 THR 51 HG1 THR 51 -1.581 21.105 -15.539 301 HG21 THR 51 HG21 THR 51 -3.604 18.549 -17.386 302 HG22 THR 51 HG22 THR 51 -4.370 19.626 -16.219 303 HG23 THR 51 HG23 THR 51 -2.908 18.745 -15.778 304 HA PRO 52 HA PRO 52 -0.985 17.354 -16.658 305 HB2 PRO 52 HB2 PRO 52 0.480 15.186 -17.391 306 HB3 PRO 52 HB3 PRO 52 -1.287 15.183 -17.381 307 HG2 PRO 52 HG2 PRO 52 0.597 15.528 -19.675 308 HG3 PRO 52 HG3 PRO 52 -0.910 14.596 -19.593 309 HD2 PRO 52 HD2 PRO 52 -0.752 17.054 -20.739 310 HD3 PRO 52 HD3 PRO 52 -2.221 16.449 -19.952 311 H CYS 53 H CYS 53 1.364 17.491 -19.306 312 HA CYS 53 HA CYS 53 3.131 19.199 -17.954 313 HB2 CYS 53 HB2 CYS 53 3.450 16.959 -16.766 314 HB3 CYS 53 HB3 CYS 53 4.193 16.406 -18.259 315 H GLY 54 H GLY 54 4.295 20.219 -19.510 316 HA2 GLY 54 HA2 GLY 54 4.090 19.228 -22.222 317 HA3 GLY 54 HA3 GLY 54 4.760 20.772 -21.712 318 H CYS 55 H CYS 55 6.477 19.332 -19.700 319 HA CYS 55 HA CYS 55 8.771 19.110 -21.319 320 HB2 CYS 55 HB2 CYS 55 8.250 18.449 -18.430 321 HB3 CYS 55 HB3 CYS 55 9.830 18.244 -19.175 322 H GLY 56 H GLY 56 6.307 16.935 -20.823 323 HA2 GLY 56 HA2 GLY 56 7.753 14.484 -20.887 324 HA3 GLY 56 HA3 GLY 56 6.055 14.698 -21.306 325 H SER 57 H SER 57 6.973 16.858 -23.249 326 HA SER 57 HA SER 57 7.915 15.060 -25.385 327 HB2 SER 57 HB2 SER 57 5.562 15.831 -25.672 328 HB3 SER 57 HB3 SER 57 6.130 17.499 -25.660 329 HG SER 57 HG SER 57 7.547 16.111 -27.461 330 H GLY 58 H GLY 58 8.986 17.334 -23.379 331 HA2 GLY 58 HA2 GLY 58 11.331 17.953 -24.643 332 HA3 GLY 58 HA3 GLY 58 10.216 19.214 -25.151 333 H CYS 59 H CYS 59 12.028 17.881 -22.526 334 HA CYS 59 HA CYS 59 10.937 19.574 -20.500 335 HB2 CYS 59 HB2 CYS 59 11.827 17.520 -19.775 336 HB3 CYS 59 HB3 CYS 59 13.351 17.773 -20.622 337 H ASN 60 H ASN 60 11.866 21.359 -19.512 338 HA ASN 60 HA ASN 60 14.210 22.578 -20.761 339 HB2 ASN 60 HB2 ASN 60 12.138 23.324 -22.015 340 HB3 ASN 60 HB3 ASN 60 11.593 24.087 -20.530 341 HD21 ASN 60 HD21 ASN 60 14.903 23.981 -21.781 342 HD22 ASN 60 HD22 ASN 60 15.045 25.687 -22.014 343 H CYS 61 H CYS 61 13.362 21.443 -18.104 344 HA CYS 61 HA CYS 61 13.009 23.601 -16.282 345 HB2 CYS 61 HB2 CYS 61 13.724 20.707 -15.938 346 HB3 CYS 61 HB3 CYS 61 13.682 21.814 -14.570 347 H LYS 62 H LYS 62 14.693 23.231 -14.219 348 HA LYS 62 HA LYS 62 17.182 24.293 -15.326 349 HB2 LYS 62 HB2 LYS 62 16.151 24.424 -12.501 350 HB3 LYS 62 HB3 LYS 62 17.577 25.234 -13.092 351 HG2 LYS 62 HG2 LYS 62 15.661 26.228 -14.768 352 HG3 LYS 62 HG3 LYS 62 14.748 25.966 -13.286 353 HD2 LYS 62 HD2 LYS 62 15.644 28.223 -13.276 354 HD3 LYS 62 HD3 LYS 62 16.415 27.259 -12.018 355 HE2 LYS 62 HE2 LYS 62 18.343 26.909 -13.549 356 HE3 LYS 62 HE3 LYS 62 17.573 27.991 -14.707 357 HZ1 LYS 62 HZ1 LYS 62 18.435 28.704 -11.956 358 HZ2 LYS 62 HZ2 LYS 62 17.669 29.752 -13.032 359 HZ3 LYS 62 HZ3 LYS 62 19.212 29.164 -13.386 360 H GLU 63 H GLU 63 16.486 22.615 -12.275 361 HA GLU 63 HA GLU 63 17.958 20.296 -12.901 362 HB2 GLU 63 HB2 GLU 63 19.766 20.720 -11.246 363 HB3 GLU 63 HB3 GLU 63 19.859 21.694 -12.707 364 HG2 GLU 63 HG2 GLU 63 18.763 23.538 -11.421 365 HG3 GLU 63 HG3 GLU 63 18.975 22.553 -9.972 366 H ASP 64 H ASP 64 16.851 22.455 -10.316 367 HA ASP 64 HA ASP 64 16.396 20.388 -8.407 368 HB2 ASP 64 HB2 ASP 64 15.615 23.297 -8.583 369 HB3 ASP 64 HB3 ASP 64 15.117 22.272 -7.255 370 H CYS 65 H CYS 65 15.151 19.431 -10.528 371 HA CYS 65 HA CYS 65 12.307 20.020 -10.137 372 HB2 CYS 65 HB2 CYS 65 13.065 20.202 -12.448 373 HB3 CYS 65 HB3 CYS 65 13.664 18.546 -12.391 374 H ARG 66 H ARG 66 11.155 18.685 -9.015 375 HA ARG 66 HA ARG 66 12.100 15.936 -8.602 376 HB2 ARG 66 HB2 ARG 66 10.372 16.092 -6.641 377 HB3 ARG 66 HB3 ARG 66 11.985 16.759 -6.477 378 HG2 ARG 66 HG2 ARG 66 10.295 18.236 -5.561 379 HG3 ARG 66 HG3 ARG 66 11.149 18.976 -6.913 380 HD2 ARG 66 HD2 ARG 66 9.295 18.589 -8.386 381 HD3 ARG 66 HD3 ARG 66 8.477 17.592 -7.184 382 HE ARG 66 HE ARG 66 8.631 19.882 -5.870 383 HH11 ARG 66 HH11 ARG 66 7.736 19.338 -9.214 384 HH12 ARG 66 HH12 ARG 66 6.649 20.679 -9.275 385 HH21 ARG 66 HH21 ARG 66 7.205 21.686 -5.965 386 HH22 ARG 66 HH22 ARG 66 6.339 22.005 -7.434 387 H CYS 67 H CYS 67 10.465 17.066 -10.820 388 HA CYS 67 HA CYS 67 7.912 15.779 -10.491 389 HB2 CYS 67 HB2 CYS 67 8.144 17.778 -11.920 390 HB3 CYS 67 HB3 CYS 67 9.210 16.875 -12.989 391 H GLN 68 H GLN 68 7.342 13.795 -11.188 392 HA GLN 68 HA GLN 68 9.547 12.097 -12.075 393 HB2 GLN 68 HB2 GLN 68 8.052 10.210 -11.466 394 HB3 GLN 68 HB3 GLN 68 8.412 11.278 -10.121 395 HG2 GLN 68 HG2 GLN 68 5.975 11.943 -11.599 396 HG3 GLN 68 HG3 GLN 68 5.946 10.383 -10.784 397 HE21 GLN 68 HE21 GLN 68 7.864 12.972 -9.489 398 HE22 GLN 68 HE22 GLN 68 6.843 13.322 -8.145 399 H SER 69 H SER 69 7.503 13.954 -13.635 400 HA SER 69 HA SER 69 6.491 11.974 -15.488 401 HB2 SER 69 HB2 SER 69 6.084 14.963 -15.419 402 HB3 SER 69 HB3 SER 69 5.235 13.818 -16.455 403 HG SER 69 HG SER 69 5.121 14.043 -13.630 404 H CYS 70 H CYS 70 8.772 14.698 -15.404 405 HA CYS 70 HA CYS 70 9.541 13.922 -18.119 406 HB2 CYS 70 HB2 CYS 70 10.391 16.194 -18.431 407 HB3 CYS 70 HB3 CYS 70 8.685 16.175 -18.005 408 H SER 71 H SER 71 10.577 13.769 -14.964 409 HA SER 71 HA SER 71 13.340 14.231 -15.250 410 HB2 SER 71 HB2 SER 71 12.134 14.037 -13.056 411 HB3 SER 71 HB3 SER 71 12.052 12.296 -13.322 412 HG SER 71 HG SER 71 14.474 13.766 -13.296 413 H THR 72 H THR 72 15.010 12.538 -15.035 414 HA THR 72 HA THR 72 14.865 10.767 -17.259 415 HB THR 72 HB THR 72 16.960 11.952 -16.547 416 HG1 THR 72 HG1 THR 72 18.155 10.378 -17.359 417 HG21 THR 72 HG21 THR 72 18.290 11.020 -14.711 418 HG22 THR 72 HG22 THR 72 16.987 9.894 -14.331 419 HG23 THR 72 HG23 THR 72 16.743 11.630 -14.119 420 H ALA 73 H ALA 73 15.532 8.465 -17.103 421 HA ALA 73 HA ALA 73 13.721 7.052 -15.459 422 HB1 ALA 73 HB1 ALA 73 14.666 5.048 -16.443 423 HB2 ALA 73 HB2 ALA 73 16.021 5.978 -17.087 424 HB3 ALA 73 HB3 ALA 73 14.387 6.267 -17.687 425 H CYS 74 H CYS 74 13.983 6.832 -13.398 426 HA CYS 74 HA CYS 74 16.417 7.092 -11.992 427 HB2 CYS 74 HB2 CYS 74 13.796 7.210 -11.326 428 HB3 CYS 74 HB3 CYS 74 14.206 5.614 -10.708 429 H LYS 75 H LYS 75 17.636 5.443 -10.902 430 HA LYS 75 HA LYS 75 17.606 2.897 -12.312 431 HB2 LYS 75 HB2 LYS 75 19.579 4.130 -10.409 432 HB3 LYS 75 HB3 LYS 75 19.710 2.461 -10.940 433 HG2 LYS 75 HG2 LYS 75 19.631 4.828 -12.782 434 HG3 LYS 75 HG3 LYS 75 21.103 4.022 -12.235 435 HD2 LYS 75 HD2 LYS 75 20.502 1.997 -13.323 436 HD3 LYS 75 HD3 LYS 75 18.867 2.575 -13.643 437 HE2 LYS 75 HE2 LYS 75 20.260 2.684 -15.663 438 HE3 LYS 75 HE3 LYS 75 19.745 4.289 -15.143 439 HZ1 LYS 75 HZ1 LYS 75 22.040 4.356 -15.746 440 HZ2 LYS 75 HZ2 LYS 75 22.414 3.059 -14.725 441 HZ3 LYS 75 HZ3 LYS 75 21.932 4.540 -14.070 442 H CYS 76 H CYS 76 16.112 4.028 -9.683 443 HA CYS 76 HA CYS 76 16.346 1.691 -8.043 444 HB2 CYS 76 HB2 CYS 76 14.428 4.027 -7.965 445 HB3 CYS 76 HB3 CYS 76 14.553 2.778 -6.726 446 H ALA 77 H ALA 77 14.933 -0.027 -7.969 447 HA ALA 77 HA ALA 77 12.432 -0.129 -9.310 448 HB1 ALA 77 HB1 ALA 77 13.023 -1.586 -11.163 449 HB2 ALA 77 HB2 ALA 77 14.722 -1.499 -10.698 450 HB3 ALA 77 HB3 ALA 77 13.897 -0.055 -11.292 451 H ALA 78 H ALA 78 11.451 -2.215 -9.158 452 HA ALA 78 HA ALA 78 10.874 -4.078 -7.988 453 HB1 ALA 78 HB1 ALA 78 13.770 -4.794 -8.451 454 HB2 ALA 78 HB2 ALA 78 12.461 -5.022 -9.610 455 HB3 ALA 78 HB3 ALA 78 12.460 -5.918 -8.091 456 H GLY 79 H GLY 79 10.972 -2.250 -6.194 457 HA2 GLY 79 HA2 GLY 79 11.253 -1.817 -3.952 458 HA3 GLY 79 HA3 GLY 79 11.607 -3.527 -3.789 459 H SER 80 H SER 80 13.425 -1.033 -5.555 460 HA SER 80 HA SER 80 15.613 -1.404 -3.640 461 HB2 SER 80 HB2 SER 80 15.780 -2.740 -5.893 462 HB3 SER 80 HB3 SER 80 16.192 -1.167 -6.554 463 HG SER 80 HG SER 80 17.530 -2.360 -4.358 464 H CYS 81 H CYS 81 15.226 0.606 -2.787 465 HA CYS 81 HA CYS 81 16.007 2.882 -4.469 466 HB2 CYS 81 HB2 CYS 81 13.725 3.173 -3.737 467 HB3 CYS 81 HB3 CYS 81 14.153 2.768 -2.082 468 H LYS 82 H LYS 82 17.532 4.327 -3.537 469 HA LYS 82 HA LYS 82 18.798 3.337 -1.072 470 HB2 LYS 82 HB2 LYS 82 20.990 4.105 -1.924 471 HB3 LYS 82 HB3 LYS 82 20.295 2.824 -2.896 472 HG2 LYS 82 HG2 LYS 82 20.003 5.707 -3.673 473 HG3 LYS 82 HG3 LYS 82 21.446 4.779 -4.085 474 HD2 LYS 82 HD2 LYS 82 19.962 3.098 -5.174 475 HD3 LYS 82 HD3 LYS 82 18.602 4.182 -4.887 476 HE2 LYS 82 HE2 LYS 82 19.651 5.900 -6.247 477 HE3 LYS 82 HE3 LYS 82 21.069 4.882 -6.478 478 HZ1 LYS 82 HZ1 LYS 82 18.327 4.200 -7.392 479 HZ2 LYS 82 HZ2 LYS 82 19.738 3.316 -7.693 480 HZ3 LYS 82 HZ3 LYS 82 19.542 4.848 -8.374 481 H CYS 83 H CYS 83 16.805 5.507 -1.747 482 HA CYS 83 HA CYS 83 18.258 7.764 -0.575 483 HB2 CYS 83 HB2 CYS 83 17.112 8.572 -2.448 484 HB3 CYS 83 HB3 CYS 83 15.692 7.571 -2.133 485 H GLY 84 H GLY 84 15.236 5.920 -0.196 486 HA2 GLY 84 HA2 GLY 84 15.048 5.192 2.255 487 HA3 GLY 84 HA3 GLY 84 15.078 6.923 2.565 488 H LYS 85 H LYS 85 13.538 7.383 0.037 489 HA LYS 85 HA LYS 85 10.931 7.446 1.151 490 HB2 LYS 85 HB2 LYS 85 11.615 7.523 -1.787 491 HB3 LYS 85 HB3 LYS 85 10.194 8.193 -1.006 492 HG2 LYS 85 HG2 LYS 85 13.004 9.153 -0.610 493 HG3 LYS 85 HG3 LYS 85 11.808 9.887 -1.679 494 HD2 LYS 85 HD2 LYS 85 10.348 10.245 0.285 495 HD3 LYS 85 HD3 LYS 85 11.645 9.623 1.316 496 HE2 LYS 85 HE2 LYS 85 11.874 11.941 -0.558 497 HE3 LYS 85 HE3 LYS 85 11.614 12.083 1.186 498 HZ1 LYS 85 HZ1 LYS 85 13.946 12.370 0.580 499 HZ2 LYS 85 HZ2 LYS 85 13.979 10.844 -0.134 500 HZ3 LYS 85 HZ3 LYS 85 13.747 10.991 1.536 501 H GLY 86 H GLY 86 12.321 5.621 -1.456 502 HA2 GLY 86 HA2 GLY 86 11.977 3.293 -1.865 503 HA3 GLY 86 HA3 GLY 86 10.529 3.371 -0.862 504 H CYS 87 H CYS 87 11.754 5.088 -3.699 505 HA CYS 87 HA CYS 87 9.078 5.333 -4.766 506 HB2 CYS 87 HB2 CYS 87 10.164 6.564 -6.583 507 HB3 CYS 87 HB3 CYS 87 10.688 7.160 -5.010 508 H THR 88 H THR 88 11.988 3.543 -5.389 509 HA THR 88 HA THR 88 12.538 1.792 -6.672 510 HB THR 88 HB THR 88 10.940 -0.027 -6.917 511 HG1 THR 88 HG1 THR 88 9.084 2.021 -6.670 512 HG21 THR 88 HG21 THR 88 11.914 0.246 -4.738 513 HG22 THR 88 HG22 THR 88 10.225 -0.242 -4.549 514 HG23 THR 88 HG23 THR 88 10.692 1.439 -4.297 515 H GLY 89 H GLY 89 11.955 4.216 -8.037 516 HA2 GLY 89 HA2 GLY 89 12.436 3.879 -10.549 517 HA3 GLY 89 HA3 GLY 89 10.799 3.240 -10.553 518 HA PRO 90 HA PRO 90 11.025 8.016 -11.041 519 HB2 PRO 90 HB2 PRO 90 10.430 8.113 -13.711 520 HB3 PRO 90 HB3 PRO 90 12.084 8.123 -13.085 521 HG2 PRO 90 HG2 PRO 90 10.476 5.833 -14.138 522 HG3 PRO 90 HG3 PRO 90 12.166 6.255 -14.471 523 HD2 PRO 90 HD2 PRO 90 11.536 4.330 -12.727 524 HD3 PRO 90 HD3 PRO 90 12.903 5.424 -12.433 525 H ASP 91 H ASP 91 9.018 5.355 -11.863 526 HA ASP 91 HA ASP 91 6.627 6.620 -12.577 527 HB2 ASP 91 HB2 ASP 91 7.041 4.039 -11.054 528 HB3 ASP 91 HB3 ASP 91 5.519 4.547 -11.768 529 H SER 92 H SER 92 8.137 6.115 -9.465 530 HA SER 92 HA SER 92 5.946 7.629 -8.233 531 HB2 SER 92 HB2 SER 92 5.790 5.136 -7.776 532 HB3 SER 92 HB3 SER 92 7.302 5.284 -6.886 533 HG SER 92 HG SER 92 6.247 6.088 -5.271 534 H CYS 93 H CYS 93 8.808 8.175 -9.155 535 HA CYS 93 HA CYS 93 10.206 8.754 -6.692 536 HB2 CYS 93 HB2 CYS 93 11.552 8.142 -8.619 537 HB3 CYS 93 HB3 CYS 93 10.859 9.458 -9.561 538 H LYS 94 H LYS 94 9.172 10.235 -5.511 539 HA LYS 94 HA LYS 94 8.204 12.682 -6.756 540 HB2 LYS 94 HB2 LYS 94 8.121 11.819 -3.853 541 HB3 LYS 94 HB3 LYS 94 7.259 13.179 -4.555 542 HG2 LYS 94 HG2 LYS 94 5.949 11.624 -5.936 543 HG3 LYS 94 HG3 LYS 94 6.805 10.269 -5.202 544 HD2 LYS 94 HD2 LYS 94 5.936 10.961 -2.985 545 HD3 LYS 94 HD3 LYS 94 5.032 12.255 -3.771 546 HE2 LYS 94 HE2 LYS 94 4.709 9.314 -4.304 547 HE3 LYS 94 HE3 LYS 94 3.636 10.297 -3.311 548 HZ1 LYS 94 HZ1 LYS 94 4.121 10.597 -6.226 549 HZ2 LYS 94 HZ2 LYS 94 3.200 11.664 -5.307 550 HZ3 LYS 94 HZ3 LYS 94 2.703 10.056 -5.487 551 H CYS 95 H CYS 95 11.079 11.895 -6.476 552 HA CYS 95 HA CYS 95 12.071 14.064 -4.771 553 HB2 CYS 95 HB2 CYS 95 13.553 11.653 -5.810 554 HB3 CYS 95 HB3 CYS 95 14.151 12.843 -4.658 555 H ASP 96 H ASP 96 13.931 15.212 -5.515 556 HA ASP 96 HA ASP 96 13.748 16.187 -8.126 557 HB2 ASP 96 HB2 ASP 96 16.036 16.407 -6.221 558 HB3 ASP 96 HB3 ASP 96 15.734 17.444 -7.607 559 H ARG 97 H ARG 97 15.360 16.185 -9.717 560 HA ARG 97 HA ARG 97 16.079 13.521 -10.416 561 HB2 ARG 97 HB2 ARG 97 17.027 14.508 -12.426 562 HB3 ARG 97 HB3 ARG 97 15.402 15.118 -12.109 563 HG2 ARG 97 HG2 ARG 97 16.496 17.132 -11.097 564 HG3 ARG 97 HG3 ARG 97 18.031 16.511 -11.710 565 HD2 ARG 97 HD2 ARG 97 16.521 16.343 -13.931 566 HD3 ARG 97 HD3 ARG 97 15.760 17.726 -13.148 567 HE ARG 97 HE ARG 97 18.534 18.074 -13.088 568 HH11 ARG 97 HH11 ARG 97 15.860 18.096 -15.368 569 HH12 ARG 97 HH12 ARG 97 16.702 19.051 -16.537 570 HH21 ARG 97 HH21 ARG 97 19.633 19.363 -14.615 571 HH22 ARG 97 HH22 ARG 97 18.852 19.799 -16.098 572 H SER 98 H SER 98 17.587 15.792 -8.567 573 HA SER 98 HA SER 98 20.212 14.554 -8.987 574 HB2 SER 98 HB2 SER 98 19.445 17.337 -8.139 575 HB3 SER 98 HB3 SER 98 21.111 16.735 -8.144 576 HG SER 98 HG SER 98 19.581 17.689 -10.168 577 H CYS 99 H CYS 99 18.160 13.462 -7.326 578 HA CYS 99 HA CYS 99 18.698 14.387 -4.627 579 HB2 CYS 99 HB2 CYS 99 16.409 13.743 -5.467 580 HB3 CYS 99 HB3 CYS 99 16.960 12.070 -5.446 581 H SER 100 H SER 100 18.527 12.115 -3.096 582 HA SER 100 HA SER 100 21.215 11.235 -3.102 583 HB2 SER 100 HB2 SER 100 18.877 10.100 -1.559 584 HB3 SER 100 HB3 SER 100 20.588 9.961 -1.147 585 HG SER 100 HG SER 100 20.588 12.298 -1.021 586 H CYS 101 H CYS 101 18.220 9.873 -4.292 587 HA CYS 101 HA CYS 101 19.585 7.411 -4.996 588 HB2 CYS 101 HB2 CYS 101 17.306 6.764 -5.889 589 HB3 CYS 101 HB3 CYS 101 17.379 7.056 -4.155 590 H LYS 102 H LYS 102 18.121 10.242 -6.423 591 HA LYS 102 HA LYS 102 18.828 9.453 -9.093 592 HB2 LYS 102 HB2 LYS 102 16.844 10.961 -7.971 593 HB3 LYS 102 HB3 LYS 102 17.907 12.158 -8.706 594 HG2 LYS 102 HG2 LYS 102 17.414 11.527 -10.765 595 HG3 LYS 102 HG3 LYS 102 17.367 9.819 -10.323 596 HD2 LYS 102 HD2 LYS 102 15.198 10.196 -9.240 597 HD3 LYS 102 HD3 LYS 102 15.256 11.856 -9.807 598 HE2 LYS 102 HE2 LYS 102 15.383 11.004 -12.123 599 HE3 LYS 102 HE3 LYS 102 15.176 9.372 -11.476 600 HZ1 LYS 102 HZ1 LYS 102 13.072 10.165 -10.471 601 HZ2 LYS 102 HZ2 LYS 102 13.066 10.162 -12.169 602 HZ3 LYS 102 HZ3 LYS 102 13.253 11.617 -11.325 Start of MODEL 3 1 HA2 GLY 1 HA2 GLY 1 22.348 10.601 13.863 2 HA3 GLY 1 HA3 GLY 1 22.077 9.317 12.693 3 H SER 2 H SER 2 20.580 10.578 10.781 4 HA SER 2 HA SER 2 22.136 12.918 9.965 5 HB2 SER 2 HB2 SER 2 21.639 10.492 8.221 6 HB3 SER 2 HB3 SER 2 22.384 11.997 7.685 7 HG SER 2 HG SER 2 24.050 11.626 9.210 8 H MET 3 H MET 3 20.714 14.490 9.676 9 HA MET 3 HA MET 3 18.345 13.992 8.070 10 HB2 MET 3 HB2 MET 3 16.821 15.022 9.636 11 HB3 MET 3 HB3 MET 3 17.617 13.667 10.419 12 HG2 MET 3 HG2 MET 3 18.464 16.537 10.762 13 HG3 MET 3 HG3 MET 3 17.344 15.710 11.837 14 HE1 MET 3 HE1 MET 3 18.001 13.729 13.431 15 HE2 MET 3 HE2 MET 3 19.595 12.980 13.477 16 HE3 MET 3 HE3 MET 3 18.573 12.784 12.055 17 H SER 4 H SER 4 17.329 15.974 7.340 18 HA SER 4 HA SER 4 19.095 18.315 7.460 19 HB2 SER 4 HB2 SER 4 19.364 17.150 5.296 20 HB3 SER 4 HB3 SER 4 17.629 17.276 5.018 21 HG SER 4 HG SER 4 19.316 19.520 5.436 22 H SER 5 H SER 5 18.071 20.241 7.743 23 HA SER 5 HA SER 5 15.298 20.135 8.478 24 HB2 SER 5 HB2 SER 5 17.213 22.474 8.405 25 HB3 SER 5 HB3 SER 5 15.610 22.478 9.142 26 HG SER 5 HG SER 5 17.118 22.084 10.730 27 H VAL 6 H VAL 6 14.188 19.736 6.624 28 HA VAL 6 HA VAL 6 14.471 21.402 4.313 29 HB VAL 6 HB VAL 6 13.725 19.024 4.204 30 HG11 VAL 6 HG11 VAL 6 12.296 18.945 6.151 31 HG12 VAL 6 HG12 VAL 6 11.398 18.456 4.714 32 HG13 VAL 6 HG13 VAL 6 11.164 20.067 5.393 33 HG21 VAL 6 HG21 VAL 6 11.971 19.363 2.509 34 HG22 VAL 6 HG22 VAL 6 13.307 20.499 2.322 35 HG23 VAL 6 HG23 VAL 6 11.791 21.033 3.048 36 H PHE 7 H PHE 7 12.679 21.482 7.241 37 HA PHE 7 HA PHE 7 10.866 23.522 6.232 38 HB2 PHE 7 HB2 PHE 7 9.736 23.342 8.415 39 HB3 PHE 7 HB3 PHE 7 9.871 21.770 7.634 40 HD1 PHE 7 HD1 PHE 7 10.766 23.776 10.507 41 HD2 PHE 7 HD2 PHE 7 11.536 20.118 8.471 42 HE1 PHE 7 HE1 PHE 7 11.829 22.877 12.533 43 HE2 PHE 7 HE2 PHE 7 12.599 19.211 10.496 44 HZ PHE 7 HZ PHE 7 12.747 20.592 12.530 45 H GLY 8 H GLY 8 10.689 25.543 7.250 46 HA2 GLY 8 HA2 GLY 8 13.248 26.584 8.187 47 HA3 GLY 8 HA3 GLY 8 11.833 27.512 7.736 48 H ALA 9 H ALA 9 9.979 27.349 9.128 49 HA ALA 9 HA ALA 9 10.191 26.473 11.810 50 HB1 ALA 9 HB1 ALA 9 11.666 28.404 12.026 51 HB2 ALA 9 HB2 ALA 9 10.151 28.701 12.882 52 HB3 ALA 9 HB3 ALA 9 10.436 29.440 11.305 53 H GLY 10 H GLY 10 8.764 29.104 9.893 54 HA2 GLY 10 HA2 GLY 10 6.135 28.407 10.950 55 HA3 GLY 10 HA3 GLY 10 6.546 29.872 10.070 56 H CYS 11 H CYS 11 7.035 26.424 9.282 57 HA CYS 11 HA CYS 11 6.041 26.872 6.627 58 HB2 CYS 11 HB2 CYS 11 6.789 24.299 8.021 59 HB3 CYS 11 HB3 CYS 11 6.543 24.513 6.290 60 H THR 12 H THR 12 4.154 25.992 5.772 61 HA THR 12 HA THR 12 2.041 25.715 7.730 62 HB THR 12 HB THR 12 0.560 25.680 5.689 63 HG1 THR 12 HG1 THR 12 2.850 26.524 4.237 64 HG21 THR 12 HG21 THR 12 1.093 27.739 6.972 65 HG22 THR 12 HG22 THR 12 0.774 28.036 5.266 66 HG23 THR 12 HG23 THR 12 2.435 28.039 5.864 67 H ASP 13 H ASP 13 0.303 24.065 7.274 68 HA ASP 13 HA ASP 13 1.327 21.430 7.300 69 HB2 ASP 13 HB2 ASP 13 -1.420 22.621 7.088 70 HB3 ASP 13 HB3 ASP 13 -1.204 20.902 6.804 71 H VAL 14 H VAL 14 0.370 23.592 4.852 72 HA VAL 14 HA VAL 14 -0.114 21.749 2.752 73 HB VAL 14 HB VAL 14 0.786 24.623 2.465 74 HG11 VAL 14 HG11 VAL 14 0.735 23.354 0.400 75 HG12 VAL 14 HG12 VAL 14 -0.546 24.566 0.418 76 HG13 VAL 14 HG13 VAL 14 -0.930 22.871 0.720 77 HG21 VAL 14 HG21 VAL 14 -2.011 23.594 2.938 78 HG22 VAL 14 HG22 VAL 14 -1.588 25.254 2.521 79 HG23 VAL 14 HG23 VAL 14 -1.054 24.568 4.055 80 H CYS 15 H CYS 15 2.739 23.175 4.171 81 HA CYS 15 HA CYS 15 4.477 22.583 1.960 82 HB2 CYS 15 HB2 CYS 15 4.959 24.470 3.452 83 HB3 CYS 15 HB3 CYS 15 5.043 23.383 4.830 84 H LYS 16 H LYS 16 3.304 21.030 4.815 85 HA LYS 16 HA LYS 16 5.316 18.946 4.805 86 HB2 LYS 16 HB2 LYS 16 2.762 19.042 6.421 87 HB3 LYS 16 HB3 LYS 16 4.189 18.070 6.745 88 HG2 LYS 16 HG2 LYS 16 4.055 21.077 6.878 89 HG3 LYS 16 HG3 LYS 16 3.995 19.985 8.258 90 HD2 LYS 16 HD2 LYS 16 6.237 19.333 7.978 91 HD3 LYS 16 HD3 LYS 16 6.302 19.955 6.327 92 HE2 LYS 16 HE2 LYS 16 7.478 21.528 7.612 93 HE3 LYS 16 HE3 LYS 16 5.881 22.230 7.325 94 HZ1 LYS 16 HZ1 LYS 16 5.208 21.500 9.536 95 HZ2 LYS 16 HZ2 LYS 16 6.550 22.519 9.631 96 HZ3 LYS 16 HZ3 LYS 16 6.744 20.849 9.821 97 H GLN 17 H GLN 17 3.025 19.543 2.726 98 HA GLN 17 HA GLN 17 1.607 17.043 2.594 99 HB2 GLN 17 HB2 GLN 17 1.804 19.426 0.793 100 HB3 GLN 17 HB3 GLN 17 1.163 17.925 0.150 101 HG2 GLN 17 HG2 GLN 17 -0.528 17.944 1.975 102 HG3 GLN 17 HG3 GLN 17 0.070 19.536 2.441 103 HE21 GLN 17 HE21 GLN 17 -1.898 20.513 2.007 104 HE22 GLN 17 HE22 GLN 17 -2.464 20.787 0.396 105 H THR 18 H THR 18 1.664 16.013 0.246 106 HA THR 18 HA THR 18 4.319 15.707 -0.827 107 HB THR 18 HB THR 18 3.027 13.306 0.517 108 HG1 THR 18 HG1 THR 18 4.534 15.196 1.566 109 HG21 THR 18 HG21 THR 18 4.248 12.726 -1.536 110 HG22 THR 18 HG22 THR 18 5.095 12.130 -0.108 111 HG23 THR 18 HG23 THR 18 5.668 13.580 -0.934 112 HA PRO 19 HA PRO 19 4.927 16.071 -2.681 113 HB2 PRO 19 HB2 PRO 19 3.636 17.614 -4.818 114 HB3 PRO 19 HB3 PRO 19 5.111 16.646 -4.879 115 HG2 PRO 19 HG2 PRO 19 2.851 15.874 -6.123 116 HG3 PRO 19 HG3 PRO 19 3.976 14.707 -5.407 117 HD2 PRO 19 HD2 PRO 19 1.391 15.760 -4.317 118 HD3 PRO 19 HD3 PRO 19 2.013 14.096 -4.325 119 H CYS 20 H CYS 20 5.449 18.363 -2.423 120 HA CYS 20 HA CYS 20 4.045 19.629 -0.427 121 HB2 CYS 20 HB2 CYS 20 6.387 20.082 -1.047 122 HB3 CYS 20 HB3 CYS 20 5.827 20.896 -2.503 123 H GLY 21 H GLY 21 2.226 20.812 -0.375 124 HA2 GLY 21 HA2 GLY 21 0.804 21.088 -2.847 125 HA3 GLY 21 HA3 GLY 21 0.186 21.378 -1.232 126 H CYS 22 H CYS 22 2.848 23.116 -1.016 127 HA CYS 22 HA CYS 22 1.551 25.603 -1.431 128 HB2 CYS 22 HB2 CYS 22 4.453 24.911 -1.110 129 HB3 CYS 22 HB3 CYS 22 3.895 26.568 -1.262 130 H ALA 23 H ALA 23 3.367 23.548 -3.531 131 HA ALA 23 HA ALA 23 3.877 25.628 -5.495 132 HB1 ALA 23 HB1 ALA 23 4.976 23.854 -6.759 133 HB2 ALA 23 HB2 ALA 23 4.391 22.668 -5.591 134 HB3 ALA 23 HB3 ALA 23 5.552 23.897 -5.090 135 H THR 24 H THR 24 1.238 24.024 -4.642 136 HA THR 24 HA THR 24 0.184 23.935 -7.361 137 HB THR 24 HB THR 24 -0.326 22.079 -5.038 138 HG1 THR 24 HG1 THR 24 1.291 22.013 -7.255 139 HG21 THR 24 HG21 THR 24 -2.365 22.531 -6.242 140 HG22 THR 24 HG22 THR 24 -1.814 20.876 -6.525 141 HG23 THR 24 HG23 THR 24 -1.581 22.116 -7.767 142 H SER 25 H SER 25 -0.354 24.553 -3.949 143 HA SER 25 HA SER 25 -2.965 25.753 -4.549 144 HB2 SER 25 HB2 SER 25 -1.873 24.502 -2.029 145 HB3 SER 25 HB3 SER 25 -3.423 25.351 -2.114 146 HG SER 25 HG SER 25 -3.543 23.709 -4.080 147 H GLY 26 H GLY 26 0.197 26.623 -3.818 148 HA2 GLY 26 HA2 GLY 26 0.709 28.979 -3.754 149 HA3 GLY 26 HA3 GLY 26 -0.752 29.216 -2.804 150 H CYS 27 H CYS 27 2.091 29.886 -2.301 151 HA CYS 27 HA CYS 27 2.752 28.226 -0.003 152 HB2 CYS 27 HB2 CYS 27 4.592 28.727 -1.458 153 HB3 CYS 27 HB3 CYS 27 4.230 30.447 -1.414 154 H ASN 28 H ASN 28 3.166 29.117 2.065 155 HA ASN 28 HA ASN 28 2.302 31.831 2.632 156 HB2 ASN 28 HB2 ASN 28 0.230 30.358 2.675 157 HB3 ASN 28 HB3 ASN 28 0.951 29.508 4.031 158 HD21 ASN 28 HD21 ASN 28 0.849 30.412 6.046 159 HD22 ASN 28 HD22 ASN 28 0.029 31.894 6.391 160 H CYS 29 H CYS 29 4.688 29.933 2.822 161 HA CYS 29 HA CYS 29 5.176 29.684 5.656 162 HB2 CYS 29 HB2 CYS 29 6.926 29.183 3.255 163 HB3 CYS 29 HB3 CYS 29 7.431 28.903 4.916 164 H THR 30 H THR 30 7.318 30.470 6.492 165 HA THR 30 HA THR 30 7.559 33.294 5.904 166 HB THR 30 HB THR 30 9.016 33.328 7.920 167 HG1 THR 30 HG1 THR 30 9.744 31.532 8.721 168 HG21 THR 30 HG21 THR 30 6.368 31.930 8.334 169 HG22 THR 30 HG22 THR 30 6.601 33.671 8.178 170 HG23 THR 30 HG23 THR 30 7.267 32.813 9.567 171 H ASP 31 H ASP 31 10.000 34.054 6.095 172 HA ASP 31 HA ASP 31 11.321 32.848 3.853 173 HB2 ASP 31 HB2 ASP 31 12.115 35.154 5.632 174 HB3 ASP 31 HB3 ASP 31 13.024 34.640 4.214 175 H ASP 32 H ASP 32 11.124 31.648 6.728 176 HA ASP 32 HA ASP 32 13.926 31.088 7.245 177 HB2 ASP 32 HB2 ASP 32 11.471 29.979 8.630 178 HB3 ASP 32 HB3 ASP 32 13.129 29.924 9.213 179 H CYS 33 H CYS 33 11.326 29.946 5.460 180 HA CYS 33 HA CYS 33 11.526 27.171 5.669 181 HB2 CYS 33 HB2 CYS 33 9.602 28.301 4.709 182 HB3 CYS 33 HB3 CYS 33 10.586 28.874 3.370 183 H LYS 34 H LYS 34 12.673 25.631 4.623 184 HA LYS 34 HA LYS 34 14.843 26.519 2.829 185 HB2 LYS 34 HB2 LYS 34 14.882 24.096 4.627 186 HB3 LYS 34 HB3 LYS 34 16.226 24.785 3.733 187 HG2 LYS 34 HG2 LYS 34 14.819 26.012 6.086 188 HG3 LYS 34 HG3 LYS 34 16.434 25.298 6.069 189 HD2 LYS 34 HD2 LYS 34 17.156 27.002 4.472 190 HD3 LYS 34 HD3 LYS 34 15.544 27.716 4.513 191 HE2 LYS 34 HE2 LYS 34 17.064 28.934 5.940 192 HE3 LYS 34 HE3 LYS 34 15.795 28.168 6.888 193 HZ1 LYS 34 HZ1 LYS 34 17.294 26.464 7.567 194 HZ2 LYS 34 HZ2 LYS 34 18.044 27.948 7.863 195 HZ3 LYS 34 HZ3 LYS 34 18.510 27.019 6.534 196 H CYS 35 H CYS 35 11.960 25.197 2.571 197 HA CYS 35 HA CYS 35 12.550 22.654 1.432 198 HB2 CYS 35 HB2 CYS 35 10.402 23.131 2.536 199 HB3 CYS 35 HB3 CYS 35 10.001 24.253 1.239 200 H GLN 36 H GLN 36 12.958 22.094 -0.576 201 HA GLN 36 HA GLN 36 13.267 24.170 -2.587 202 HB2 GLN 36 HB2 GLN 36 13.882 21.213 -2.704 203 HB3 GLN 36 HB3 GLN 36 14.343 22.405 -3.908 204 HG2 GLN 36 HG2 GLN 36 15.833 23.475 -2.365 205 HG3 GLN 36 HG3 GLN 36 15.269 22.446 -1.047 206 HE21 GLN 36 HE21 GLN 36 17.954 22.790 -2.087 207 HE22 GLN 36 HE22 GLN 36 18.482 21.222 -2.591 208 H SER 37 H SER 37 10.707 22.566 -1.537 209 HA SER 37 HA SER 37 9.694 21.680 -4.111 210 HB2 SER 37 HB2 SER 37 8.354 21.496 -1.418 211 HB3 SER 37 HB3 SER 37 7.930 20.620 -2.888 212 HG SER 37 HG SER 37 9.884 20.119 -1.031 213 H CYS 38 H CYS 38 8.632 23.839 -1.446 214 HA CYS 38 HA CYS 38 6.519 24.872 -3.089 215 HB2 CYS 38 HB2 CYS 38 5.983 26.284 -1.189 216 HB3 CYS 38 HB3 CYS 38 6.249 24.624 -0.667 217 H LYS 39 H LYS 39 9.696 25.831 -2.117 218 HA LYS 39 HA LYS 39 9.485 28.440 -3.303 219 HB2 LYS 39 HB2 LYS 39 11.742 26.915 -2.037 220 HB3 LYS 39 HB3 LYS 39 11.954 28.512 -2.748 221 HG2 LYS 39 HG2 LYS 39 11.091 29.518 -0.964 222 HG3 LYS 39 HG3 LYS 39 9.703 28.428 -0.935 223 HD2 LYS 39 HD2 LYS 39 10.880 28.183 1.108 224 HD3 LYS 39 HD3 LYS 39 11.151 26.733 0.145 225 HE2 LYS 39 HE2 LYS 39 13.239 27.370 1.129 226 HE3 LYS 39 HE3 LYS 39 13.315 27.705 -0.600 227 HZ1 LYS 39 HZ1 LYS 39 12.884 30.028 -0.142 228 HZ2 LYS 39 HZ2 LYS 39 14.236 29.513 0.732 229 HZ3 LYS 39 HZ3 LYS 39 12.750 29.710 1.512 230 H TYR 40 H TYR 40 8.805 26.638 -5.168 231 HA TYR 40 HA TYR 40 10.905 25.591 -6.719 232 HB2 TYR 40 HB2 TYR 40 9.242 25.219 -8.470 233 HB3 TYR 40 HB3 TYR 40 8.613 24.735 -6.903 234 HD1 TYR 40 HD1 TYR 40 8.254 27.026 -9.718 235 HD2 TYR 40 HD2 TYR 40 6.821 26.056 -5.831 236 HE1 TYR 40 HE1 TYR 40 6.252 28.400 -10.119 237 HE2 TYR 40 HE2 TYR 40 4.818 27.430 -6.220 238 HH TYR 40 HH TYR 40 4.050 29.223 -7.601 239 H GLY 41 H GLY 41 11.650 26.228 -8.752 240 HA2 GLY 41 HA2 GLY 41 11.463 28.233 -10.379 241 HA3 GLY 41 HA3 GLY 41 11.950 29.139 -8.946 242 H ALA 42 H ALA 42 13.670 27.247 -7.843 243 HA ALA 42 HA ALA 42 15.971 27.511 -9.614 244 HB1 ALA 42 HB1 ALA 42 15.806 26.606 -6.737 245 HB2 ALA 42 HB2 ALA 42 16.167 28.245 -7.274 246 HB3 ALA 42 HB3 ALA 42 17.287 26.932 -7.638 247 H GLY 43 H GLY 43 13.689 25.480 -9.764 248 HA2 GLY 43 HA2 GLY 43 15.396 23.169 -10.227 249 HA3 GLY 43 HA3 GLY 43 14.075 22.971 -9.102 250 H CYS 44 H CYS 44 12.846 25.063 -11.256 251 HA CYS 44 HA CYS 44 11.876 22.917 -13.012 252 HB2 CYS 44 HB2 CYS 44 10.224 24.693 -11.263 253 HB3 CYS 44 HB3 CYS 44 9.566 24.088 -12.777 254 H THR 45 H THR 45 10.197 23.952 -14.574 255 HA THR 45 HA THR 45 11.057 26.546 -15.539 256 HB THR 45 HB THR 45 12.406 24.884 -16.799 257 HG1 THR 45 HG1 THR 45 12.067 26.445 -18.200 258 HG21 THR 45 HG21 THR 45 10.900 22.968 -16.639 259 HG22 THR 45 HG22 THR 45 11.285 23.313 -18.325 260 HG23 THR 45 HG23 THR 45 9.724 23.792 -17.660 261 H ASP 46 H ASP 46 9.538 27.005 -17.528 262 HA ASP 46 HA ASP 46 6.875 27.036 -16.481 263 HB2 ASP 46 HB2 ASP 46 7.741 28.925 -17.749 264 HB3 ASP 46 HB3 ASP 46 7.981 27.905 -19.161 265 H THR 47 H THR 47 8.583 24.914 -18.519 266 HA THR 47 HA THR 47 6.313 23.935 -19.966 267 HB THR 47 HB THR 47 8.994 22.584 -19.803 268 HG1 THR 47 HG1 THR 47 9.255 24.126 -21.767 269 HG21 THR 47 HG21 THR 47 6.975 22.948 -22.025 270 HG22 THR 47 HG22 THR 47 7.211 21.478 -21.078 271 HG23 THR 47 HG23 THR 47 8.490 22.053 -22.145 272 H CYS 48 H CYS 48 8.013 23.020 -17.034 273 HA CYS 48 HA CYS 48 7.037 20.327 -16.954 274 HB2 CYS 48 HB2 CYS 48 9.081 20.772 -15.811 275 HB3 CYS 48 HB3 CYS 48 8.348 22.067 -14.871 276 H LYS 49 H LYS 49 5.949 23.372 -15.653 277 HA LYS 49 HA LYS 49 4.126 22.371 -13.734 278 HB2 LYS 49 HB2 LYS 49 3.263 24.627 -13.661 279 HB3 LYS 49 HB3 LYS 49 5.021 24.659 -13.734 280 HG2 LYS 49 HG2 LYS 49 4.772 24.986 -16.232 281 HG3 LYS 49 HG3 LYS 49 3.063 25.280 -15.918 282 HD2 LYS 49 HD2 LYS 49 5.371 26.809 -14.735 283 HD3 LYS 49 HD3 LYS 49 4.336 27.360 -16.053 284 HE2 LYS 49 HE2 LYS 49 3.408 26.724 -13.248 285 HE3 LYS 49 HE3 LYS 49 3.693 28.342 -13.882 286 HZ1 LYS 49 HZ1 LYS 49 1.936 28.010 -15.482 287 HZ2 LYS 49 HZ2 LYS 49 1.345 27.725 -13.928 288 HZ3 LYS 49 HZ3 LYS 49 1.686 26.426 -14.950 289 H GLN 50 H GLN 50 3.987 22.113 -17.033 290 HA GLN 50 HA GLN 50 1.223 22.633 -17.436 291 HB2 GLN 50 HB2 GLN 50 3.197 21.188 -19.168 292 HB3 GLN 50 HB3 GLN 50 1.600 21.750 -19.656 293 HG2 GLN 50 HG2 GLN 50 2.438 24.039 -18.850 294 HG3 GLN 50 HG3 GLN 50 4.035 23.326 -19.001 295 HE21 GLN 50 HE21 GLN 50 4.581 24.719 -20.624 296 HE22 GLN 50 HE22 GLN 50 3.937 24.548 -22.214 297 H THR 51 H THR 51 -0.140 20.875 -18.401 298 HA THR 51 HA THR 51 0.249 18.370 -16.946 299 HB THR 51 HB THR 51 -2.372 18.315 -17.119 300 HG1 THR 51 HG1 THR 51 -3.321 20.251 -17.335 301 HG21 THR 51 HG21 THR 51 -1.073 18.329 -15.045 302 HG22 THR 51 HG22 THR 51 -2.505 19.350 -14.910 303 HG23 THR 51 HG23 THR 51 -0.917 20.082 -15.151 304 HA PRO 52 HA PRO 52 -0.235 16.318 -16.908 305 HB2 PRO 52 HB2 PRO 52 1.385 14.315 -17.837 306 HB3 PRO 52 HB3 PRO 52 -0.380 14.216 -17.857 307 HG2 PRO 52 HG2 PRO 52 1.505 14.930 -20.068 308 HG3 PRO 52 HG3 PRO 52 0.052 13.916 -20.120 309 HD2 PRO 52 HD2 PRO 52 0.071 16.485 -20.978 310 HD3 PRO 52 HD3 PRO 52 -1.361 15.734 -20.248 311 H CYS 53 H CYS 53 2.180 16.889 -19.395 312 HA CYS 53 HA CYS 53 3.704 18.622 -17.825 313 HB2 CYS 53 HB2 CYS 53 4.324 16.348 -16.838 314 HB3 CYS 53 HB3 CYS 53 5.093 16.021 -18.384 315 H GLY 54 H GLY 54 4.660 19.950 -19.256 316 HA2 GLY 54 HA2 GLY 54 4.640 19.229 -22.033 317 HA3 GLY 54 HA3 GLY 54 5.214 20.742 -21.347 318 H CYS 55 H CYS 55 7.025 19.256 -19.483 319 HA CYS 55 HA CYS 55 9.333 19.397 -21.074 320 HB2 CYS 55 HB2 CYS 55 8.847 18.342 -18.311 321 HB3 CYS 55 HB3 CYS 55 10.443 18.335 -19.055 322 H GLY 56 H GLY 56 7.126 16.846 -20.653 323 HA2 GLY 56 HA2 GLY 56 8.810 14.629 -21.054 324 HA3 GLY 56 HA3 GLY 56 7.108 14.706 -21.492 325 H SER 57 H SER 57 7.734 17.124 -23.185 326 HA SER 57 HA SER 57 8.846 15.671 -25.492 327 HB2 SER 57 HB2 SER 57 6.967 18.028 -25.611 328 HB3 SER 57 HB3 SER 57 7.357 16.880 -26.893 329 HG SER 57 HG SER 57 6.385 15.257 -25.417 330 H GLY 58 H GLY 58 10.014 17.570 -23.305 331 HA2 GLY 58 HA2 GLY 58 12.155 18.627 -24.510 332 HA3 GLY 58 HA3 GLY 58 10.925 19.819 -24.902 333 H CYS 59 H CYS 59 12.774 18.347 -22.353 334 HA CYS 59 HA CYS 59 11.645 19.956 -20.260 335 HB2 CYS 59 HB2 CYS 59 12.429 17.791 -19.651 336 HB3 CYS 59 HB3 CYS 59 14.006 18.083 -20.374 337 H ASN 60 H ASN 60 12.660 21.600 -19.107 338 HA ASN 60 HA ASN 60 15.200 22.661 -20.016 339 HB2 ASN 60 HB2 ASN 60 13.225 23.613 -21.463 340 HB3 ASN 60 HB3 ASN 60 12.877 24.577 -20.032 341 HD21 ASN 60 HD21 ASN 60 14.278 26.230 -19.460 342 HD22 ASN 60 HD22 ASN 60 15.531 26.799 -20.506 343 H CYS 61 H CYS 61 14.007 21.497 -17.594 344 HA CYS 61 HA CYS 61 13.501 23.534 -15.677 345 HB2 CYS 61 HB2 CYS 61 14.095 20.599 -15.497 346 HB3 CYS 61 HB3 CYS 61 14.033 21.580 -14.038 347 H LYS 62 H LYS 62 15.010 22.947 -13.484 348 HA LYS 62 HA LYS 62 17.576 24.118 -14.269 349 HB2 LYS 62 HB2 LYS 62 16.166 24.088 -11.594 350 HB3 LYS 62 HB3 LYS 62 17.705 24.858 -11.892 351 HG2 LYS 62 HG2 LYS 62 15.469 25.723 -13.615 352 HG3 LYS 62 HG3 LYS 62 15.347 26.145 -11.908 353 HD2 LYS 62 HD2 LYS 62 16.422 27.946 -13.127 354 HD3 LYS 62 HD3 LYS 62 17.587 27.191 -12.038 355 HE2 LYS 62 HE2 LYS 62 18.484 25.895 -13.888 356 HE3 LYS 62 HE3 LYS 62 17.306 26.622 -14.979 357 HZ1 LYS 62 HZ1 LYS 62 19.473 28.049 -13.532 358 HZ2 LYS 62 HZ2 LYS 62 18.319 28.789 -14.519 359 HZ3 LYS 62 HZ3 LYS 62 19.434 27.711 -15.189 360 H GLU 63 H GLU 63 16.630 22.295 -11.389 361 HA GLU 63 HA GLU 63 17.956 19.910 -12.065 362 HB2 GLU 63 HB2 GLU 63 19.927 21.481 -11.710 363 HB3 GLU 63 HB3 GLU 63 19.450 21.557 -10.020 364 HG2 GLU 63 HG2 GLU 63 19.851 19.212 -9.738 365 HG3 GLU 63 HG3 GLU 63 20.141 19.011 -11.465 366 H ASP 64 H ASP 64 16.789 22.074 -9.544 367 HA ASP 64 HA ASP 64 16.276 19.940 -7.684 368 HB2 ASP 64 HB2 ASP 64 15.799 22.894 -7.752 369 HB3 ASP 64 HB3 ASP 64 15.032 21.913 -6.521 370 H CYS 65 H CYS 65 15.024 19.299 -10.012 371 HA CYS 65 HA CYS 65 12.225 20.039 -9.750 372 HB2 CYS 65 HB2 CYS 65 13.136 19.906 -12.008 373 HB3 CYS 65 HB3 CYS 65 13.615 18.233 -11.741 374 H ARG 66 H ARG 66 10.660 18.754 -9.010 375 HA ARG 66 HA ARG 66 11.499 16.293 -7.666 376 HB2 ARG 66 HB2 ARG 66 9.071 18.055 -7.323 377 HB3 ARG 66 HB3 ARG 66 9.329 16.552 -6.450 378 HG2 ARG 66 HG2 ARG 66 11.202 17.444 -5.292 379 HG3 ARG 66 HG3 ARG 66 11.240 18.872 -6.330 380 HD2 ARG 66 HD2 ARG 66 8.931 18.164 -4.520 381 HD3 ARG 66 HD3 ARG 66 10.240 19.251 -4.061 382 HE ARG 66 HE ARG 66 9.489 20.808 -5.678 383 HH11 ARG 66 HH11 ARG 66 7.363 18.020 -5.439 384 HH12 ARG 66 HH12 ARG 66 5.994 18.842 -6.105 385 HH21 ARG 66 HH21 ARG 66 7.641 21.905 -6.540 386 HH22 ARG 66 HH22 ARG 66 6.150 21.041 -6.716 387 H CYS 67 H CYS 67 10.701 16.808 -10.598 388 HA CYS 67 HA CYS 67 8.531 14.842 -10.733 389 HB2 CYS 67 HB2 CYS 67 8.238 17.155 -11.769 390 HB3 CYS 67 HB3 CYS 67 9.393 16.637 -12.979 391 H GLN 68 H GLN 68 9.150 12.908 -11.217 392 HA GLN 68 HA GLN 68 11.648 12.477 -12.625 393 HB2 GLN 68 HB2 GLN 68 11.214 10.044 -12.156 394 HB3 GLN 68 HB3 GLN 68 11.447 11.061 -10.749 395 HG2 GLN 68 HG2 GLN 68 8.721 10.295 -11.755 396 HG3 GLN 68 HG3 GLN 68 9.624 9.300 -10.621 397 HE21 GLN 68 HE21 GLN 68 7.470 11.847 -10.939 398 HE22 GLN 68 HE22 GLN 68 7.555 12.452 -9.329 399 H SER 69 H SER 69 8.793 13.277 -13.658 400 HA SER 69 HA SER 69 8.336 11.257 -15.632 401 HB2 SER 69 HB2 SER 69 7.131 14.017 -15.304 402 HB3 SER 69 HB3 SER 69 6.532 12.750 -16.372 403 HG SER 69 HG SER 69 5.667 13.088 -14.056 404 H CYS 70 H CYS 70 10.018 14.303 -15.338 405 HA CYS 70 HA CYS 70 10.748 14.024 -18.146 406 HB2 CYS 70 HB2 CYS 70 11.160 16.450 -18.220 407 HB3 CYS 70 HB3 CYS 70 9.493 16.052 -17.826 408 H SER 71 H SER 71 11.960 14.121 -14.913 409 HA SER 71 HA SER 71 14.653 14.798 -15.473 410 HB2 SER 71 HB2 SER 71 15.191 13.687 -13.361 411 HB3 SER 71 HB3 SER 71 13.730 14.655 -13.180 412 HG SER 71 HG SER 71 13.187 12.117 -13.987 413 H THR 72 H THR 72 16.532 13.247 -15.482 414 HA THR 72 HA THR 72 16.076 11.291 -17.519 415 HB THR 72 HB THR 72 18.259 12.581 -17.236 416 HG1 THR 72 HG1 THR 72 18.425 10.966 -18.677 417 HG21 THR 72 HG21 THR 72 19.954 11.602 -15.773 418 HG22 THR 72 HG22 THR 72 18.776 10.440 -15.167 419 HG23 THR 72 HG23 THR 72 18.574 12.157 -14.831 420 H ALA 73 H ALA 73 16.521 9.072 -17.502 421 HA ALA 73 HA ALA 73 14.994 7.714 -15.619 422 HB1 ALA 73 HB1 ALA 73 15.354 6.941 -17.912 423 HB2 ALA 73 HB2 ALA 73 15.715 5.686 -16.725 424 HB3 ALA 73 HB3 ALA 73 17.029 6.560 -17.512 425 H CYS 74 H CYS 74 15.374 6.999 -13.736 426 HA CYS 74 HA CYS 74 17.896 7.167 -12.436 427 HB2 CYS 74 HB2 CYS 74 15.165 6.302 -11.674 428 HB3 CYS 74 HB3 CYS 74 16.505 5.686 -10.711 429 H LYS 75 H LYS 75 18.726 5.319 -11.121 430 HA LYS 75 HA LYS 75 19.128 3.028 -12.859 431 HB2 LYS 75 HB2 LYS 75 20.532 3.983 -10.370 432 HB3 LYS 75 HB3 LYS 75 20.878 2.431 -11.121 433 HG2 LYS 75 HG2 LYS 75 21.189 5.133 -12.402 434 HG3 LYS 75 HG3 LYS 75 22.489 4.091 -11.814 435 HD2 LYS 75 HD2 LYS 75 21.879 2.382 -13.424 436 HD3 LYS 75 HD3 LYS 75 20.525 3.361 -13.978 437 HE2 LYS 75 HE2 LYS 75 22.410 3.561 -15.511 438 HE3 LYS 75 HE3 LYS 75 22.066 5.099 -14.726 439 HZ1 LYS 75 HZ1 LYS 75 24.205 3.213 -13.900 440 HZ2 LYS 75 HZ2 LYS 75 23.905 4.735 -13.232 441 HZ3 LYS 75 HZ3 LYS 75 24.447 4.608 -14.819 442 H CYS 76 H CYS 76 16.897 3.841 -10.759 443 HA CYS 76 HA CYS 76 16.842 1.478 -9.194 444 HB2 CYS 76 HB2 CYS 76 14.552 3.354 -9.742 445 HB3 CYS 76 HB3 CYS 76 14.720 2.241 -8.395 446 H ALA 77 H ALA 77 16.542 -0.343 -10.180 447 HA ALA 77 HA ALA 77 14.167 -0.951 -11.617 448 HB1 ALA 77 HB1 ALA 77 16.743 -0.952 -13.203 449 HB2 ALA 77 HB2 ALA 77 15.397 0.165 -13.431 450 HB3 ALA 77 HB3 ALA 77 15.181 -1.553 -13.762 451 H ALA 78 H ALA 78 13.868 -3.157 -11.822 452 HA ALA 78 HA ALA 78 14.074 -5.353 -11.325 453 HB1 ALA 78 HB1 ALA 78 16.199 -6.437 -11.789 454 HB2 ALA 78 HB2 ALA 78 17.026 -4.882 -11.733 455 HB3 ALA 78 HB3 ALA 78 15.858 -5.212 -13.011 456 H GLY 79 H GLY 79 14.547 -3.248 -9.140 457 HA2 GLY 79 HA2 GLY 79 14.398 -3.815 -6.811 458 HA3 GLY 79 HA3 GLY 79 15.422 -5.204 -7.130 459 H SER 80 H SER 80 16.735 -2.660 -8.790 460 HA SER 80 HA SER 80 18.873 -2.426 -6.869 461 HB2 SER 80 HB2 SER 80 19.126 -2.622 -9.407 462 HB3 SER 80 HB3 SER 80 18.661 -0.923 -9.472 463 HG SER 80 HG SER 80 20.802 -0.785 -9.282 464 H CYS 81 H CYS 81 16.199 -1.172 -6.283 465 HA CYS 81 HA CYS 81 16.589 1.647 -6.315 466 HB2 CYS 81 HB2 CYS 81 14.364 0.900 -6.303 467 HB3 CYS 81 HB3 CYS 81 14.664 -0.247 -5.004 468 H LYS 82 H LYS 82 18.053 2.663 -4.943 469 HA LYS 82 HA LYS 82 18.320 1.500 -2.262 470 HB2 LYS 82 HB2 LYS 82 20.685 2.142 -2.134 471 HB3 LYS 82 HB3 LYS 82 20.384 0.989 -3.415 472 HG2 LYS 82 HG2 LYS 82 20.501 3.904 -4.067 473 HG3 LYS 82 HG3 LYS 82 21.997 3.013 -3.779 474 HD2 LYS 82 HD2 LYS 82 21.033 1.313 -5.463 475 HD3 LYS 82 HD3 LYS 82 19.939 2.617 -5.918 476 HE2 LYS 82 HE2 LYS 82 22.956 2.749 -5.964 477 HE3 LYS 82 HE3 LYS 82 21.919 2.507 -7.365 478 HZ1 LYS 82 HZ1 LYS 82 22.587 4.782 -7.249 479 HZ2 LYS 82 HZ2 LYS 82 22.068 4.933 -5.656 480 HZ3 LYS 82 HZ3 LYS 82 20.936 4.718 -6.899 481 H CYS 83 H CYS 83 16.682 3.795 -3.321 482 HA CYS 83 HA CYS 83 17.817 5.906 -1.648 483 HB2 CYS 83 HB2 CYS 83 16.173 7.398 -2.576 484 HB3 CYS 83 HB3 CYS 83 16.916 6.509 -3.900 485 H GLY 84 H GLY 84 15.299 3.531 -1.728 486 HA2 GLY 84 HA2 GLY 84 14.606 2.761 0.502 487 HA3 GLY 84 HA3 GLY 84 14.459 4.452 0.946 488 H LYS 85 H LYS 85 13.299 4.564 -2.036 489 HA LYS 85 HA LYS 85 10.588 4.591 -1.095 490 HB2 LYS 85 HB2 LYS 85 11.688 5.025 -3.871 491 HB3 LYS 85 HB3 LYS 85 10.019 5.299 -3.393 492 HG2 LYS 85 HG2 LYS 85 12.434 6.754 -2.345 493 HG3 LYS 85 HG3 LYS 85 11.240 7.381 -3.481 494 HD2 LYS 85 HD2 LYS 85 10.576 6.465 -0.684 495 HD3 LYS 85 HD3 LYS 85 10.947 8.132 -1.107 496 HE2 LYS 85 HE2 LYS 85 9.059 8.136 -2.682 497 HE3 LYS 85 HE3 LYS 85 8.675 6.482 -2.206 498 HZ1 LYS 85 HZ1 LYS 85 8.658 8.851 -0.419 499 HZ2 LYS 85 HZ2 LYS 85 8.324 7.273 0.061 500 HZ3 LYS 85 HZ3 LYS 85 7.293 8.059 -1.021 501 H GLY 86 H GLY 86 12.560 2.291 -2.731 502 HA2 GLY 86 HA2 GLY 86 12.107 0.179 -3.533 503 HA3 GLY 86 HA3 GLY 86 10.665 0.221 -2.522 504 H CYS 87 H CYS 87 11.621 2.221 -5.264 505 HA CYS 87 HA CYS 87 8.955 1.785 -6.391 506 HB2 CYS 87 HB2 CYS 87 9.619 3.775 -7.839 507 HB3 CYS 87 HB3 CYS 87 9.414 4.096 -6.123 508 H THR 88 H THR 88 12.352 1.703 -7.250 509 HA THR 88 HA THR 88 13.512 0.773 -8.943 510 HB THR 88 HB THR 88 12.886 -1.533 -9.622 511 HG1 THR 88 HG1 THR 88 10.436 -0.715 -8.740 512 HG21 THR 88 HG21 THR 88 12.975 -2.521 -7.364 513 HG22 THR 88 HG22 THR 88 12.640 -0.932 -6.674 514 HG23 THR 88 HG23 THR 88 14.134 -1.208 -7.572 515 H GLY 89 H GLY 89 12.453 2.789 -10.023 516 HA2 GLY 89 HA2 GLY 89 12.474 2.495 -12.674 517 HA3 GLY 89 HA3 GLY 89 10.802 2.079 -12.308 518 HA PRO 90 HA PRO 90 11.818 6.824 -12.235 519 HB2 PRO 90 HB2 PRO 90 11.441 7.526 -14.844 520 HB3 PRO 90 HB3 PRO 90 13.023 7.125 -14.167 521 HG2 PRO 90 HG2 PRO 90 11.154 5.415 -15.754 522 HG3 PRO 90 HG3 PRO 90 12.915 5.569 -15.893 523 HD2 PRO 90 HD2 PRO 90 11.739 3.498 -14.624 524 HD3 PRO 90 HD3 PRO 90 13.298 4.166 -14.098 525 H ASP 91 H ASP 91 9.446 4.800 -13.759 526 HA ASP 91 HA ASP 91 7.411 6.855 -13.826 527 HB2 ASP 91 HB2 ASP 91 7.234 3.870 -14.279 528 HB3 ASP 91 HB3 ASP 91 5.905 4.998 -14.506 529 H SER 92 H SER 92 8.625 4.568 -11.607 530 HA SER 92 HA SER 92 6.205 4.722 -9.964 531 HB2 SER 92 HB2 SER 92 7.049 2.459 -10.487 532 HB3 SER 92 HB3 SER 92 8.587 2.867 -9.728 533 HG SER 92 HG SER 92 6.846 3.452 -7.925 534 H CYS 93 H CYS 93 9.340 5.952 -10.271 535 HA CYS 93 HA CYS 93 10.115 6.368 -7.612 536 HB2 CYS 93 HB2 CYS 93 11.157 6.943 -10.148 537 HB3 CYS 93 HB3 CYS 93 10.887 8.526 -9.434 538 H LYS 94 H LYS 94 9.881 8.197 -6.284 539 HA LYS 94 HA LYS 94 7.999 10.292 -7.109 540 HB2 LYS 94 HB2 LYS 94 7.612 8.476 -4.716 541 HB3 LYS 94 HB3 LYS 94 6.896 10.077 -4.779 542 HG2 LYS 94 HG2 LYS 94 5.621 9.454 -6.751 543 HG3 LYS 94 HG3 LYS 94 6.393 7.866 -6.758 544 HD2 LYS 94 HD2 LYS 94 4.760 8.903 -4.434 545 HD3 LYS 94 HD3 LYS 94 4.071 7.945 -5.746 546 HE2 LYS 94 HE2 LYS 94 6.311 7.081 -3.912 547 HE3 LYS 94 HE3 LYS 94 4.635 6.548 -3.814 548 HZ1 LYS 94 HZ1 LYS 94 6.445 6.076 -6.131 549 HZ2 LYS 94 HZ2 LYS 94 4.853 5.533 -5.988 550 HZ3 LYS 94 HZ3 LYS 94 6.039 4.934 -4.953 551 H CYS 95 H CYS 95 10.473 10.926 -7.054 552 HA CYS 95 HA CYS 95 10.812 12.574 -4.717 553 HB2 CYS 95 HB2 CYS 95 13.306 11.644 -4.670 554 HB3 CYS 95 HB3 CYS 95 12.021 10.907 -3.718 555 H ASP 96 H ASP 96 13.190 13.680 -5.032 556 HA ASP 96 HA ASP 96 12.934 15.014 -7.582 557 HB2 ASP 96 HB2 ASP 96 14.660 16.547 -6.752 558 HB3 ASP 96 HB3 ASP 96 13.358 16.362 -5.586 559 H ARG 97 H ARG 97 15.145 15.655 -8.591 560 HA ARG 97 HA ARG 97 16.201 13.093 -9.493 561 HB2 ARG 97 HB2 ARG 97 17.098 14.249 -11.352 562 HB3 ARG 97 HB3 ARG 97 15.457 14.828 -11.115 563 HG2 ARG 97 HG2 ARG 97 16.323 16.852 -10.071 564 HG3 ARG 97 HG3 ARG 97 17.971 16.255 -10.267 565 HD2 ARG 97 HD2 ARG 97 17.462 17.836 -12.056 566 HD3 ARG 97 HD3 ARG 97 17.622 16.219 -12.723 567 HE ARG 97 HE ARG 97 14.918 16.739 -12.105 568 HH11 ARG 97 HH11 ARG 97 17.406 17.626 -14.402 569 HH12 ARG 97 HH12 ARG 97 16.305 17.982 -15.684 570 HH21 ARG 97 HH21 ARG 97 13.403 17.248 -13.808 571 HH22 ARG 97 HH22 ARG 97 14.005 17.780 -15.334 572 H SER 98 H SER 98 17.023 14.597 -6.914 573 HA SER 98 HA SER 98 19.880 14.166 -7.384 574 HB2 SER 98 HB2 SER 98 19.060 16.629 -7.253 575 HB3 SER 98 HB3 SER 98 18.894 16.314 -5.526 576 HG SER 98 HG SER 98 20.961 17.203 -6.256 577 H CYS 99 H CYS 99 17.491 12.708 -6.178 578 HA CYS 99 HA CYS 99 17.915 12.517 -3.382 579 HB2 CYS 99 HB2 CYS 99 15.803 11.903 -4.644 580 HB3 CYS 99 HB3 CYS 99 16.632 10.448 -5.176 581 H SER 100 H SER 100 18.232 10.021 -2.600 582 HA SER 100 HA SER 100 20.992 9.576 -2.836 583 HB2 SER 100 HB2 SER 100 19.575 8.914 -0.876 584 HB3 SER 100 HB3 SER 100 18.939 7.588 -1.845 585 HG SER 100 HG SER 100 21.654 8.022 -1.138 586 H CYS 101 H CYS 101 18.346 8.360 -4.740 587 HA CYS 101 HA CYS 101 19.776 6.128 -5.806 588 HB2 CYS 101 HB2 CYS 101 17.892 6.258 -7.549 589 HB3 CYS 101 HB3 CYS 101 17.455 5.900 -5.879 590 H LYS 102 H LYS 102 19.405 9.495 -6.647 591 HA LYS 102 HA LYS 102 20.751 9.176 -9.195 592 HB2 LYS 102 HB2 LYS 102 19.459 11.442 -7.736 593 HB3 LYS 102 HB3 LYS 102 20.614 11.799 -9.011 594 HG2 LYS 102 HG2 LYS 102 18.343 9.921 -9.507 595 HG3 LYS 102 HG3 LYS 102 18.109 11.670 -9.589 596 HD2 LYS 102 HD2 LYS 102 19.651 11.900 -11.353 597 HD3 LYS 102 HD3 LYS 102 20.313 10.286 -11.094 598 HE2 LYS 102 HE2 LYS 102 18.869 10.398 -13.087 599 HE3 LYS 102 HE3 LYS 102 18.258 9.276 -11.877 600 HZ1 LYS 102 HZ1 LYS 102 17.272 12.057 -12.235 601 HZ2 LYS 102 HZ2 LYS 102 16.620 10.871 -11.209 602 HZ3 LYS 102 HZ3 LYS 102 16.531 10.683 -12.888 Start of MODEL 4 1 HA2 GLY 1 HA2 GLY 1 18.973 7.036 8.187 2 HA3 GLY 1 HA3 GLY 1 20.082 6.145 7.152 3 H SER 2 H SER 2 18.878 8.345 5.155 4 HA SER 2 HA SER 2 20.719 10.476 5.954 5 HB2 SER 2 HB2 SER 2 21.795 9.077 4.218 6 HB3 SER 2 HB3 SER 2 20.417 9.352 3.157 7 HG SER 2 HG SER 2 22.141 11.364 4.190 8 H MET 3 H MET 3 19.440 12.150 6.361 9 HA MET 3 HA MET 3 17.575 13.004 4.319 10 HB2 MET 3 HB2 MET 3 16.233 11.522 5.766 11 HB3 MET 3 HB3 MET 3 16.668 12.505 7.155 12 HG2 MET 3 HG2 MET 3 14.428 13.022 6.347 13 HG3 MET 3 HG3 MET 3 15.506 14.409 6.211 14 HE1 MET 3 HE1 MET 3 15.375 11.238 3.837 15 HE2 MET 3 HE2 MET 3 14.209 11.784 2.632 16 HE3 MET 3 HE3 MET 3 13.694 11.509 4.296 17 H SER 4 H SER 4 17.605 15.123 4.112 18 HA SER 4 HA SER 4 19.056 16.703 6.078 19 HB2 SER 4 HB2 SER 4 18.021 17.460 3.336 20 HB3 SER 4 HB3 SER 4 19.098 18.427 4.345 21 HG SER 4 HG SER 4 19.748 15.795 3.523 22 H SER 5 H SER 5 18.151 18.503 7.107 23 HA SER 5 HA SER 5 15.429 18.355 7.768 24 HB2 SER 5 HB2 SER 5 15.952 20.720 8.731 25 HB3 SER 5 HB3 SER 5 16.776 19.317 9.412 26 HG SER 5 HG SER 5 18.416 20.635 9.026 27 H VAL 6 H VAL 6 13.771 18.866 6.512 28 HA VAL 6 HA VAL 6 14.164 20.580 4.238 29 HB VAL 6 HB VAL 6 12.797 18.506 4.097 30 HG11 VAL 6 HG11 VAL 6 10.499 18.499 4.925 31 HG12 VAL 6 HG12 VAL 6 10.781 20.048 5.721 32 HG13 VAL 6 HG13 VAL 6 11.663 18.616 6.245 33 HG21 VAL 6 HG21 VAL 6 12.573 20.237 2.423 34 HG22 VAL 6 HG22 VAL 6 11.366 21.062 3.407 35 HG23 VAL 6 HG23 VAL 6 11.010 19.475 2.722 36 H PHE 7 H PHE 7 12.592 20.828 7.371 37 HA PHE 7 HA PHE 7 11.243 23.263 6.671 38 HB2 PHE 7 HB2 PHE 7 10.535 23.366 9.017 39 HB3 PHE 7 HB3 PHE 7 10.230 21.772 8.338 40 HD1 PHE 7 HD1 PHE 7 12.038 23.682 10.835 41 HD2 PHE 7 HD2 PHE 7 11.632 19.851 9.023 42 HE1 PHE 7 HE1 PHE 7 13.252 22.667 12.716 43 HE2 PHE 7 HE2 PHE 7 12.847 18.831 10.903 44 HZ PHE 7 HZ PHE 7 13.658 20.237 12.751 45 H GLY 8 H GLY 8 11.701 25.309 7.355 46 HA2 GLY 8 HA2 GLY 8 14.531 25.839 7.754 47 HA3 GLY 8 HA3 GLY 8 13.272 27.015 7.423 48 H ALA 9 H ALA 9 11.691 27.338 9.176 49 HA ALA 9 HA ALA 9 12.407 26.776 11.866 50 HB1 ALA 9 HB1 ALA 9 12.924 29.573 10.851 51 HB2 ALA 9 HB2 ALA 9 14.147 28.433 11.412 52 HB3 ALA 9 HB3 ALA 9 12.957 29.079 12.542 53 H GLY 10 H GLY 10 10.919 29.291 9.854 54 HA2 GLY 10 HA2 GLY 10 8.553 29.139 11.577 55 HA3 GLY 10 HA3 GLY 10 8.983 30.508 10.562 56 H CYS 11 H CYS 11 8.691 27.003 9.896 57 HA CYS 11 HA CYS 11 7.286 27.569 7.466 58 HB2 CYS 11 HB2 CYS 11 7.697 24.925 8.868 59 HB3 CYS 11 HB3 CYS 11 7.212 25.168 7.193 60 H THR 12 H THR 12 5.123 27.285 7.078 61 HA THR 12 HA THR 12 3.443 27.331 9.426 62 HB THR 12 HB THR 12 1.619 27.821 7.821 63 HG1 THR 12 HG1 THR 12 3.525 28.059 5.753 64 HG21 THR 12 HG21 THR 12 2.358 30.020 7.231 65 HG22 THR 12 HG22 THR 12 4.049 29.528 7.300 66 HG23 THR 12 HG23 THR 12 3.092 29.608 8.779 67 H ASP 13 H ASP 13 1.290 26.122 9.194 68 HA ASP 13 HA ASP 13 1.789 23.341 9.020 69 HB2 ASP 13 HB2 ASP 13 0.057 24.310 10.498 70 HB3 ASP 13 HB3 ASP 13 -0.857 24.819 9.084 71 H VAL 14 H VAL 14 0.846 25.759 6.814 72 HA VAL 14 HA VAL 14 -0.383 24.154 4.829 73 HB VAL 14 HB VAL 14 1.061 26.789 4.436 74 HG11 VAL 14 HG11 VAL 14 -1.170 25.493 2.879 75 HG12 VAL 14 HG12 VAL 14 0.510 25.644 2.363 76 HG13 VAL 14 HG13 VAL 14 -0.484 27.086 2.564 77 HG21 VAL 14 HG21 VAL 14 -0.554 27.026 6.238 78 HG22 VAL 14 HG22 VAL 14 -1.809 26.306 5.230 79 HG23 VAL 14 HG23 VAL 14 -1.119 27.868 4.794 80 H CYS 15 H CYS 15 2.918 24.903 5.695 81 HA CYS 15 HA CYS 15 4.072 23.968 3.240 82 HB2 CYS 15 HB2 CYS 15 5.271 25.615 4.571 83 HB3 CYS 15 HB3 CYS 15 5.273 24.538 5.962 84 H LYS 16 H LYS 16 3.058 22.623 6.259 85 HA LYS 16 HA LYS 16 4.518 20.158 5.933 86 HB2 LYS 16 HB2 LYS 16 2.221 20.671 7.832 87 HB3 LYS 16 HB3 LYS 16 3.459 19.433 7.964 88 HG2 LYS 16 HG2 LYS 16 3.914 22.403 8.219 89 HG3 LYS 16 HG3 LYS 16 3.805 21.256 9.551 90 HD2 LYS 16 HD2 LYS 16 5.853 20.240 8.991 91 HD3 LYS 16 HD3 LYS 16 5.852 20.939 7.367 92 HE2 LYS 16 HE2 LYS 16 7.437 22.170 8.649 93 HE3 LYS 16 HE3 LYS 16 6.010 23.187 8.429 94 HZ1 LYS 16 HZ1 LYS 16 6.614 21.596 10.868 95 HZ2 LYS 16 HZ2 LYS 16 5.288 22.622 10.658 96 HZ3 LYS 16 HZ3 LYS 16 6.848 23.260 10.710 97 H GLN 17 H GLN 17 2.030 21.416 4.304 98 HA GLN 17 HA GLN 17 0.206 19.218 4.157 99 HB2 GLN 17 HB2 GLN 17 0.660 21.629 2.413 100 HB3 GLN 17 HB3 GLN 17 -0.405 20.342 1.880 101 HG2 GLN 17 HG2 GLN 17 -1.714 20.689 3.987 102 HG3 GLN 17 HG3 GLN 17 -0.719 22.109 4.293 103 HE21 GLN 17 HE21 GLN 17 -2.459 23.507 4.165 104 HE22 GLN 17 HE22 GLN 17 -3.250 23.900 2.678 105 H THR 18 H THR 18 -0.185 18.243 1.908 106 HA THR 18 HA THR 18 2.173 17.684 0.358 107 HB THR 18 HB THR 18 0.834 15.347 1.758 108 HG1 THR 18 HG1 THR 18 2.768 17.060 2.636 109 HG21 THR 18 HG21 THR 18 3.402 15.532 0.173 110 HG22 THR 18 HG22 THR 18 1.880 14.888 -0.434 111 HG23 THR 18 HG23 THR 18 2.718 14.070 0.884 112 HA PRO 19 HA PRO 19 2.518 17.831 -1.649 113 HB2 PRO 19 HB2 PRO 19 1.783 19.630 -3.544 114 HB3 PRO 19 HB3 PRO 19 1.954 17.904 -3.880 115 HG2 PRO 19 HG2 PRO 19 -0.521 19.494 -3.337 116 HG3 PRO 19 HG3 PRO 19 -0.251 18.224 -4.544 117 HD2 PRO 19 HD2 PRO 19 -1.540 17.767 -2.206 118 HD3 PRO 19 HD3 PRO 19 -0.558 16.529 -3.015 119 H CYS 20 H CYS 20 3.511 20.009 -1.598 120 HA CYS 20 HA CYS 20 2.782 21.333 0.726 121 HB2 CYS 20 HB2 CYS 20 5.039 21.345 -0.380 122 HB3 CYS 20 HB3 CYS 20 4.398 22.541 -1.506 123 H GLY 21 H GLY 21 1.256 22.712 1.160 124 HA2 GLY 21 HA2 GLY 21 -0.569 23.479 -0.881 125 HA3 GLY 21 HA3 GLY 21 -0.678 23.863 0.827 126 H CYS 22 H CYS 22 2.180 24.993 0.532 127 HA CYS 22 HA CYS 22 1.426 27.694 0.279 128 HB2 CYS 22 HB2 CYS 22 4.143 26.395 0.130 129 HB3 CYS 22 HB3 CYS 22 3.902 28.136 0.149 130 H ALA 23 H ALA 23 2.231 25.356 -2.101 131 HA ALA 23 HA ALA 23 3.121 27.192 -4.095 132 HB1 ALA 23 HB1 ALA 23 3.815 24.838 -4.083 133 HB2 ALA 23 HB2 ALA 23 3.060 25.297 -5.609 134 HB3 ALA 23 HB3 ALA 23 2.154 24.357 -4.425 135 H THR 24 H THR 24 0.019 26.227 -2.975 136 HA THR 24 HA THR 24 -1.151 27.582 -5.311 137 HB THR 24 HB THR 24 -1.625 25.183 -5.478 138 HG1 THR 24 HG1 THR 24 -3.484 27.138 -5.357 139 HG21 THR 24 HG21 THR 24 -1.524 24.595 -3.100 140 HG22 THR 24 HG22 THR 24 -3.048 24.063 -3.810 141 HG23 THR 24 HG23 THR 24 -3.001 25.511 -2.804 142 H SER 25 H SER 25 -0.973 27.361 -1.898 143 HA SER 25 HA SER 25 -3.343 29.073 -1.600 144 HB2 SER 25 HB2 SER 25 -3.162 26.891 -0.285 145 HB3 SER 25 HB3 SER 25 -1.858 27.651 0.620 146 HG SER 25 HG SER 25 -3.252 28.926 1.607 147 H GLY 26 H GLY 26 -0.116 29.378 -2.006 148 HA2 GLY 26 HA2 GLY 26 1.051 31.404 -1.866 149 HA3 GLY 26 HA3 GLY 26 -0.115 31.967 -0.675 150 H CYS 27 H CYS 27 2.905 31.720 -0.785 151 HA CYS 27 HA CYS 27 3.486 29.884 1.365 152 HB2 CYS 27 HB2 CYS 27 5.101 30.155 -0.424 153 HB3 CYS 27 HB3 CYS 27 5.215 31.881 -0.093 154 H ASN 28 H ASN 28 4.451 30.522 3.370 155 HA ASN 28 HA ASN 28 4.171 33.306 4.187 156 HB2 ASN 28 HB2 ASN 28 1.943 32.161 4.540 157 HB3 ASN 28 HB3 ASN 28 2.743 31.114 5.700 158 HD21 ASN 28 HD21 ASN 28 1.719 31.751 7.507 159 HD22 ASN 28 HD22 ASN 28 1.786 33.353 8.161 160 H CYS 29 H CYS 29 6.207 30.942 3.962 161 HA CYS 29 HA CYS 29 7.045 30.593 6.716 162 HB2 CYS 29 HB2 CYS 29 8.295 29.632 4.141 163 HB3 CYS 29 HB3 CYS 29 8.814 29.175 5.758 164 H THR 30 H THR 30 9.661 30.604 6.795 165 HA THR 30 HA THR 30 10.426 33.356 6.180 166 HB THR 30 HB THR 30 12.261 32.949 7.849 167 HG1 THR 30 HG1 THR 30 12.192 31.107 9.089 168 HG21 THR 30 HG21 THR 30 10.182 34.063 8.512 169 HG22 THR 30 HG22 THR 30 10.806 33.060 9.822 170 HG23 THR 30 HG23 THR 30 9.447 32.495 8.852 171 H ASP 31 H ASP 31 12.958 33.505 5.846 172 HA ASP 31 HA ASP 31 13.486 32.248 3.366 173 HB2 ASP 31 HB2 ASP 31 14.387 34.445 3.847 174 HB3 ASP 31 HB3 ASP 31 15.321 33.806 5.193 175 H ASP 32 H ASP 32 14.155 31.290 6.603 176 HA ASP 32 HA ASP 32 16.401 29.637 6.145 177 HB2 ASP 32 HB2 ASP 32 14.271 29.505 8.284 178 HB3 ASP 32 HB3 ASP 32 15.719 28.507 8.276 179 H CYS 33 H CYS 33 13.124 29.284 5.330 180 HA CYS 33 HA CYS 33 12.707 26.539 5.493 181 HB2 CYS 33 HB2 CYS 33 10.919 28.152 5.026 182 HB3 CYS 33 HB3 CYS 33 11.644 28.510 3.466 183 H LYS 34 H LYS 34 13.905 24.975 4.650 184 HA LYS 34 HA LYS 34 15.303 25.434 2.127 185 HB2 LYS 34 HB2 LYS 34 15.621 23.276 4.227 186 HB3 LYS 34 HB3 LYS 34 16.482 23.269 2.696 187 HG2 LYS 34 HG2 LYS 34 17.485 25.473 3.310 188 HG3 LYS 34 HG3 LYS 34 16.720 25.326 4.892 189 HD2 LYS 34 HD2 LYS 34 18.684 23.316 3.754 190 HD3 LYS 34 HD3 LYS 34 19.129 24.622 4.855 191 HE2 LYS 34 HE2 LYS 34 17.668 23.716 6.558 192 HE3 LYS 34 HE3 LYS 34 17.112 22.463 5.454 193 HZ1 LYS 34 HZ1 LYS 34 19.385 21.604 5.390 194 HZ2 LYS 34 HZ2 LYS 34 18.744 21.589 6.952 195 HZ3 LYS 34 HZ3 LYS 34 19.865 22.776 6.510 196 H CYS 35 H CYS 35 12.333 24.652 2.737 197 HA CYS 35 HA CYS 35 12.055 22.111 1.487 198 HB2 CYS 35 HB2 CYS 35 10.289 22.937 2.979 199 HB3 CYS 35 HB3 CYS 35 9.976 24.274 1.875 200 H GLN 36 H GLN 36 12.512 21.750 -0.489 201 HA GLN 36 HA GLN 36 12.678 23.814 -2.428 202 HB2 GLN 36 HB2 GLN 36 13.291 22.019 -3.995 203 HB3 GLN 36 HB3 GLN 36 14.229 21.956 -2.516 204 HG2 GLN 36 HG2 GLN 36 11.808 20.214 -2.895 205 HG3 GLN 36 HG3 GLN 36 13.373 19.759 -3.553 206 HE21 GLN 36 HE21 GLN 36 11.425 20.038 -0.719 207 HE22 GLN 36 HE22 GLN 36 12.540 19.294 0.376 208 H SER 37 H SER 37 10.028 22.394 -1.165 209 HA SER 37 HA SER 37 8.594 21.956 -3.619 210 HB2 SER 37 HB2 SER 37 7.557 21.874 -0.784 211 HB3 SER 37 HB3 SER 37 6.769 21.220 -2.221 212 HG SER 37 HG SER 37 7.983 19.686 -0.882 213 H CYS 38 H CYS 38 8.335 24.295 -0.846 214 HA CYS 38 HA CYS 38 6.417 25.743 -2.445 215 HB2 CYS 38 HB2 CYS 38 6.152 27.254 -0.516 216 HB3 CYS 38 HB3 CYS 38 5.924 25.571 -0.071 217 H LYS 39 H LYS 39 9.726 25.678 -2.013 218 HA LYS 39 HA LYS 39 10.058 28.358 -3.161 219 HB2 LYS 39 HB2 LYS 39 11.938 26.456 -1.772 220 HB3 LYS 39 HB3 LYS 39 12.585 27.676 -2.856 221 HG2 LYS 39 HG2 LYS 39 12.671 28.432 -0.549 222 HG3 LYS 39 HG3 LYS 39 11.560 29.437 -1.485 223 HD2 LYS 39 HD2 LYS 39 9.695 28.049 -0.612 224 HD3 LYS 39 HD3 LYS 39 10.859 27.213 0.414 225 HE2 LYS 39 HE2 LYS 39 11.391 29.298 1.527 226 HE3 LYS 39 HE3 LYS 39 10.276 30.161 0.466 227 HZ1 LYS 39 HZ1 LYS 39 9.277 29.668 2.617 228 HZ2 LYS 39 HZ2 LYS 39 9.511 28.008 2.368 229 HZ3 LYS 39 HZ3 LYS 39 8.455 28.869 1.374 230 H TYR 40 H TYR 40 8.842 26.309 -4.637 231 HA TYR 40 HA TYR 40 10.628 24.944 -6.332 232 HB2 TYR 40 HB2 TYR 40 8.708 24.440 -7.720 233 HB3 TYR 40 HB3 TYR 40 8.257 24.282 -6.030 234 HD1 TYR 40 HD1 TYR 40 7.400 25.706 -9.164 235 HD2 TYR 40 HD2 TYR 40 7.027 26.333 -4.970 236 HE1 TYR 40 HE1 TYR 40 5.481 27.188 -9.561 237 HE2 TYR 40 HE2 TYR 40 5.107 27.818 -5.359 238 HH TYR 40 HH TYR 40 4.270 29.281 -7.308 239 H GLY 41 H GLY 41 10.953 25.312 -8.613 240 HA2 GLY 41 HA2 GLY 41 10.731 27.065 -10.404 241 HA3 GLY 41 HA3 GLY 41 11.262 28.192 -9.153 242 H ALA 42 H ALA 42 13.098 26.555 -7.878 243 HA ALA 42 HA ALA 42 15.349 26.736 -9.676 244 HB1 ALA 42 HB1 ALA 42 15.150 25.895 -6.780 245 HB2 ALA 42 HB2 ALA 42 15.598 27.493 -7.378 246 HB3 ALA 42 HB3 ALA 42 16.655 26.113 -7.670 247 H GLY 43 H GLY 43 13.089 24.661 -9.742 248 HA2 GLY 43 HA2 GLY 43 14.831 22.392 -10.269 249 HA3 GLY 43 HA3 GLY 43 13.502 22.172 -9.149 250 H CYS 44 H CYS 44 12.407 24.339 -11.372 251 HA CYS 44 HA CYS 44 11.431 22.241 -13.169 252 HB2 CYS 44 HB2 CYS 44 9.809 23.794 -11.256 253 HB3 CYS 44 HB3 CYS 44 9.152 23.648 -12.880 254 H THR 45 H THR 45 9.972 23.202 -14.840 255 HA THR 45 HA THR 45 10.744 25.893 -15.662 256 HB THR 45 HB THR 45 12.135 24.291 -16.965 257 HG1 THR 45 HG1 THR 45 11.662 26.016 -18.204 258 HG21 THR 45 HG21 THR 45 11.071 22.726 -18.524 259 HG22 THR 45 HG22 THR 45 9.485 23.174 -17.894 260 HG23 THR 45 HG23 THR 45 10.646 22.348 -16.855 261 H ASP 46 H ASP 46 9.200 26.583 -17.456 262 HA ASP 46 HA ASP 46 6.523 26.202 -16.502 263 HB2 ASP 46 HB2 ASP 46 7.571 27.645 -18.939 264 HB3 ASP 46 HB3 ASP 46 5.878 27.642 -18.456 265 H THR 47 H THR 47 8.481 24.765 -18.902 266 HA THR 47 HA THR 47 6.439 23.720 -20.560 267 HB THR 47 HB THR 47 9.210 22.567 -20.228 268 HG1 THR 47 HG1 THR 47 9.624 24.222 -21.988 269 HG21 THR 47 HG21 THR 47 7.679 21.362 -21.727 270 HG22 THR 47 HG22 THR 47 8.974 22.137 -22.640 271 HG23 THR 47 HG23 THR 47 7.363 22.856 -22.609 272 H CYS 48 H CYS 48 7.623 22.813 -17.470 273 HA CYS 48 HA CYS 48 6.811 20.038 -17.725 274 HB2 CYS 48 HB2 CYS 48 8.816 20.539 -16.427 275 HB3 CYS 48 HB3 CYS 48 7.893 21.591 -15.363 276 H LYS 49 H LYS 49 5.635 23.024 -16.322 277 HA LYS 49 HA LYS 49 3.559 21.718 -14.777 278 HB2 LYS 49 HB2 LYS 49 3.023 23.877 -13.956 279 HB3 LYS 49 HB3 LYS 49 4.778 23.795 -14.051 280 HG2 LYS 49 HG2 LYS 49 4.561 24.943 -16.306 281 HG3 LYS 49 HG3 LYS 49 2.883 25.259 -15.863 282 HD2 LYS 49 HD2 LYS 49 5.333 26.134 -14.346 283 HD3 LYS 49 HD3 LYS 49 4.296 27.161 -15.331 284 HE2 LYS 49 HE2 LYS 49 3.387 25.652 -12.880 285 HE3 LYS 49 HE3 LYS 49 3.879 27.344 -12.886 286 HZ1 LYS 49 HZ1 LYS 49 1.493 27.146 -12.998 287 HZ2 LYS 49 HZ2 LYS 49 1.583 26.194 -14.385 288 HZ3 LYS 49 HZ3 LYS 49 2.069 27.809 -14.438 289 H GLN 50 H GLN 50 3.761 22.050 -17.936 290 HA GLN 50 HA GLN 50 1.518 23.506 -18.778 291 HB2 GLN 50 HB2 GLN 50 2.735 21.097 -20.086 292 HB3 GLN 50 HB3 GLN 50 1.695 22.284 -20.869 293 HG2 GLN 50 HG2 GLN 50 3.499 23.979 -20.094 294 HG3 GLN 50 HG3 GLN 50 4.516 22.553 -19.949 295 HE21 GLN 50 HE21 GLN 50 4.798 24.786 -21.713 296 HE22 GLN 50 HE22 GLN 50 4.745 24.157 -23.322 297 H THR 51 H THR 51 1.824 20.285 -17.540 298 HA THR 51 HA THR 51 0.322 18.765 -16.801 299 HB THR 51 HB THR 51 -1.839 20.809 -17.379 300 HG1 THR 51 HG1 THR 51 -0.026 20.467 -15.238 301 HG21 THR 51 HG21 THR 51 -1.772 18.422 -15.520 302 HG22 THR 51 HG22 THR 51 -2.675 18.524 -17.031 303 HG23 THR 51 HG23 THR 51 -3.105 19.566 -15.674 304 HA PRO 52 HA PRO 52 0.151 16.760 -16.901 305 HB2 PRO 52 HB2 PRO 52 1.558 15.109 -18.899 306 HB3 PRO 52 HB3 PRO 52 0.451 14.607 -17.617 307 HG2 PRO 52 HG2 PRO 52 -0.269 14.521 -20.198 308 HG3 PRO 52 HG3 PRO 52 -1.426 14.944 -18.922 309 HD2 PRO 52 HD2 PRO 52 0.046 16.743 -20.816 310 HD3 PRO 52 HD3 PRO 52 -1.655 16.797 -20.306 311 H CYS 53 H CYS 53 2.205 16.916 -19.795 312 HA CYS 53 HA CYS 53 4.000 18.781 -18.613 313 HB2 CYS 53 HB2 CYS 53 4.632 16.672 -17.507 314 HB3 CYS 53 HB3 CYS 53 4.924 15.948 -19.077 315 H GLY 54 H GLY 54 5.242 19.781 -20.203 316 HA2 GLY 54 HA2 GLY 54 4.781 18.780 -22.931 317 HA3 GLY 54 HA3 GLY 54 5.126 20.447 -22.501 318 H CYS 55 H CYS 55 7.168 18.766 -20.590 319 HA CYS 55 HA CYS 55 9.441 19.444 -22.105 320 HB2 CYS 55 HB2 CYS 55 9.061 17.767 -19.640 321 HB3 CYS 55 HB3 CYS 55 10.647 18.075 -20.332 322 H GLY 56 H GLY 56 8.623 16.186 -20.929 323 HA2 GLY 56 HA2 GLY 56 8.958 14.111 -21.862 324 HA3 GLY 56 HA3 GLY 56 8.734 14.889 -23.423 325 H SER 57 H SER 57 10.412 14.871 -24.752 326 HA SER 57 HA SER 57 13.031 14.116 -23.737 327 HB2 SER 57 HB2 SER 57 12.134 14.547 -26.594 328 HB3 SER 57 HB3 SER 57 13.622 13.761 -26.066 329 HG SER 57 HG SER 57 12.167 12.234 -24.954 330 H GLY 58 H GLY 58 11.325 16.884 -24.343 331 HA2 GLY 58 HA2 GLY 58 13.769 18.469 -24.846 332 HA3 GLY 58 HA3 GLY 58 12.157 18.958 -25.364 333 H CYS 59 H CYS 59 13.906 18.026 -22.468 334 HA CYS 59 HA CYS 59 12.055 19.470 -20.796 335 HB2 CYS 59 HB2 CYS 59 12.670 17.405 -19.932 336 HB3 CYS 59 HB3 CYS 59 14.375 17.638 -20.305 337 H ASN 60 H ASN 60 12.445 21.296 -19.670 338 HA ASN 60 HA ASN 60 15.016 22.662 -20.153 339 HB2 ASN 60 HB2 ASN 60 12.231 23.825 -20.211 340 HB3 ASN 60 HB3 ASN 60 13.692 24.802 -20.162 341 HD21 ASN 60 HD21 ASN 60 14.999 24.893 -21.949 342 HD22 ASN 60 HD22 ASN 60 14.475 24.375 -23.509 343 H CYS 61 H CYS 61 13.804 21.102 -17.829 344 HA CYS 61 HA CYS 61 13.247 23.002 -15.796 345 HB2 CYS 61 HB2 CYS 61 13.808 20.066 -15.779 346 HB3 CYS 61 HB3 CYS 61 13.706 20.964 -14.269 347 H LYS 62 H LYS 62 14.598 22.413 -13.605 348 HA LYS 62 HA LYS 62 17.218 23.567 -14.193 349 HB2 LYS 62 HB2 LYS 62 15.695 23.417 -11.597 350 HB3 LYS 62 HB3 LYS 62 17.211 24.265 -11.843 351 HG2 LYS 62 HG2 LYS 62 15.260 25.168 -13.746 352 HG3 LYS 62 HG3 LYS 62 14.612 25.271 -12.105 353 HD2 LYS 62 HD2 LYS 62 15.738 27.341 -12.699 354 HD3 LYS 62 HD3 LYS 62 16.613 26.516 -11.409 355 HE2 LYS 62 HE2 LYS 62 18.179 25.621 -13.073 356 HE3 LYS 62 HE3 LYS 62 17.317 26.495 -14.338 357 HZ1 LYS 62 HZ1 LYS 62 19.285 27.699 -13.606 358 HZ2 LYS 62 HZ2 LYS 62 18.710 27.726 -12.023 359 HZ3 LYS 62 HZ3 LYS 62 17.885 28.569 -13.231 360 H GLU 63 H GLU 63 16.181 21.713 -11.368 361 HA GLU 63 HA GLU 63 17.682 19.399 -12.043 362 HB2 GLU 63 HB2 GLU 63 19.138 21.499 -10.831 363 HB3 GLU 63 HB3 GLU 63 18.910 20.256 -9.608 364 HG2 GLU 63 HG2 GLU 63 20.147 19.896 -12.324 365 HG3 GLU 63 HG3 GLU 63 20.978 19.882 -10.770 366 H ASP 64 H ASP 64 16.049 21.292 -9.537 367 HA ASP 64 HA ASP 64 15.550 18.862 -8.033 368 HB2 ASP 64 HB2 ASP 64 15.879 21.360 -7.132 369 HB3 ASP 64 HB3 ASP 64 14.137 21.380 -7.337 370 H CYS 65 H CYS 65 14.498 18.295 -10.310 371 HA CYS 65 HA CYS 65 11.641 18.950 -10.228 372 HB2 CYS 65 HB2 CYS 65 12.700 19.181 -12.414 373 HB3 CYS 65 HB3 CYS 65 13.269 17.517 -12.340 374 H ARG 66 H ARG 66 10.070 17.426 -9.875 375 HA ARG 66 HA ARG 66 11.059 14.785 -9.052 376 HB2 ARG 66 HB2 ARG 66 8.540 16.093 -8.012 377 HB3 ARG 66 HB3 ARG 66 9.324 14.645 -7.398 378 HG2 ARG 66 HG2 ARG 66 10.119 16.078 -5.843 379 HG3 ARG 66 HG3 ARG 66 11.329 16.419 -7.085 380 HD2 ARG 66 HD2 ARG 66 9.626 18.182 -7.911 381 HD3 ARG 66 HD3 ARG 66 8.905 18.000 -6.317 382 HE ARG 66 HE ARG 66 11.734 18.542 -6.322 383 HH11 ARG 66 HH11 ARG 66 8.485 19.854 -6.193 384 HH12 ARG 66 HH12 ARG 66 8.992 21.389 -5.591 385 HH21 ARG 66 HH21 ARG 66 12.419 20.533 -5.581 386 HH22 ARG 66 HH22 ARG 66 11.263 21.792 -5.231 387 H CYS 67 H CYS 67 9.679 16.149 -11.577 388 HA CYS 67 HA CYS 67 7.508 14.282 -11.964 389 HB2 CYS 67 HB2 CYS 67 7.332 16.545 -12.921 390 HB3 CYS 67 HB3 CYS 67 8.750 16.234 -13.917 391 H GLN 68 H GLN 68 7.722 12.334 -12.744 392 HA GLN 68 HA GLN 68 10.335 11.427 -13.606 393 HB2 GLN 68 HB2 GLN 68 9.269 9.168 -13.572 394 HB3 GLN 68 HB3 GLN 68 9.189 10.017 -12.035 395 HG2 GLN 68 HG2 GLN 68 6.887 10.412 -13.816 396 HG3 GLN 68 HG3 GLN 68 7.099 8.775 -13.207 397 HE21 GLN 68 HE21 GLN 68 8.202 11.435 -11.271 398 HE22 GLN 68 HE22 GLN 68 6.936 11.367 -10.104 399 H SER 69 H SER 69 8.052 12.977 -15.245 400 HA SER 69 HA SER 69 7.829 11.165 -17.485 401 HB2 SER 69 HB2 SER 69 5.929 12.671 -16.739 402 HB3 SER 69 HB3 SER 69 6.876 14.037 -17.330 403 HG SER 69 HG SER 69 6.115 13.591 -19.237 404 H CYS 70 H CYS 70 9.385 14.233 -16.674 405 HA CYS 70 HA CYS 70 10.738 14.150 -19.246 406 HB2 CYS 70 HB2 CYS 70 11.336 16.495 -18.774 407 HB3 CYS 70 HB3 CYS 70 9.604 16.192 -18.776 408 H SER 71 H SER 71 11.365 14.094 -15.793 409 HA SER 71 HA SER 71 14.149 14.471 -15.907 410 HB2 SER 71 HB2 SER 71 12.494 12.984 -13.856 411 HB3 SER 71 HB3 SER 71 14.177 13.465 -13.646 412 HG SER 71 HG SER 71 11.854 15.030 -13.685 413 H THR 72 H THR 72 15.831 12.915 -15.548 414 HA THR 72 HA THR 72 15.743 10.771 -17.352 415 HB THR 72 HB THR 72 17.859 11.901 -16.720 416 HG1 THR 72 HG1 THR 72 17.685 9.579 -17.460 417 HG21 THR 72 HG21 THR 72 17.444 12.143 -14.314 418 HG22 THR 72 HG22 THR 72 18.977 11.323 -14.617 419 HG23 THR 72 HG23 THR 72 17.563 10.394 -14.119 420 H ALA 73 H ALA 73 15.560 8.651 -17.187 421 HA ALA 73 HA ALA 73 13.845 7.661 -15.171 422 HB1 ALA 73 HB1 ALA 73 15.370 6.202 -17.321 423 HB2 ALA 73 HB2 ALA 73 13.745 6.872 -17.471 424 HB3 ALA 73 HB3 ALA 73 14.052 5.538 -16.359 425 H CYS 74 H CYS 74 14.356 6.945 -13.276 426 HA CYS 74 HA CYS 74 16.848 6.661 -12.142 427 HB2 CYS 74 HB2 CYS 74 14.151 5.660 -11.459 428 HB3 CYS 74 HB3 CYS 74 15.494 4.807 -10.710 429 H LYS 75 H LYS 75 18.294 5.070 -11.836 430 HA LYS 75 HA LYS 75 18.352 2.929 -13.789 431 HB2 LYS 75 HB2 LYS 75 20.289 3.899 -11.700 432 HB3 LYS 75 HB3 LYS 75 20.574 2.423 -12.608 433 HG2 LYS 75 HG2 LYS 75 20.191 5.143 -13.831 434 HG3 LYS 75 HG3 LYS 75 21.751 4.374 -13.521 435 HD2 LYS 75 HD2 LYS 75 21.092 2.504 -14.966 436 HD3 LYS 75 HD3 LYS 75 19.568 3.315 -15.302 437 HE2 LYS 75 HE2 LYS 75 21.130 3.708 -17.120 438 HE3 LYS 75 HE3 LYS 75 20.794 5.213 -16.267 439 HZ1 LYS 75 HZ1 LYS 75 23.190 3.518 -15.825 440 HZ2 LYS 75 HZ2 LYS 75 22.881 5.027 -15.119 441 HZ3 LYS 75 HZ3 LYS 75 23.154 4.911 -16.781 442 H CYS 76 H CYS 76 16.468 2.965 -11.421 443 HA CYS 76 HA CYS 76 17.399 0.687 -9.923 444 HB2 CYS 76 HB2 CYS 76 14.749 2.064 -9.588 445 HB3 CYS 76 HB3 CYS 76 15.659 1.128 -8.406 446 H ALA 77 H ALA 77 16.519 -1.304 -9.980 447 HA ALA 77 HA ALA 77 14.033 -2.025 -11.042 448 HB1 ALA 77 HB1 ALA 77 16.400 -2.569 -12.844 449 HB2 ALA 77 HB2 ALA 77 15.045 -1.499 -13.198 450 HB3 ALA 77 HB3 ALA 77 14.781 -3.236 -13.055 451 H ALA 78 H ALA 78 13.552 -4.085 -10.426 452 HA ALA 78 HA ALA 78 13.701 -6.060 -9.327 453 HB1 ALA 78 HB1 ALA 78 15.555 -7.530 -9.920 454 HB2 ALA 78 HB2 ALA 78 16.440 -6.154 -10.581 455 HB3 ALA 78 HB3 ALA 78 14.937 -6.682 -11.338 456 H GLY 79 H GLY 79 14.111 -4.011 -7.636 457 HA2 GLY 79 HA2 GLY 79 14.814 -3.659 -5.468 458 HA3 GLY 79 HA3 GLY 79 15.563 -5.247 -5.521 459 H SER 80 H SER 80 16.078 -2.081 -7.065 460 HA SER 80 HA SER 80 18.887 -2.277 -6.251 461 HB2 SER 80 HB2 SER 80 18.574 -2.955 -8.652 462 HB3 SER 80 HB3 SER 80 17.978 -1.331 -8.974 463 HG SER 80 HG SER 80 19.945 -0.505 -8.630 464 H CYS 81 H CYS 81 16.413 -0.692 -5.372 465 HA CYS 81 HA CYS 81 17.118 2.035 -6.035 466 HB2 CYS 81 HB2 CYS 81 14.759 1.309 -5.638 467 HB3 CYS 81 HB3 CYS 81 15.183 1.044 -3.952 468 H LYS 82 H LYS 82 17.966 3.543 -4.576 469 HA LYS 82 HA LYS 82 18.986 2.505 -2.054 470 HB2 LYS 82 HB2 LYS 82 21.250 3.450 -2.506 471 HB3 LYS 82 HB3 LYS 82 20.833 2.072 -3.510 472 HG2 LYS 82 HG2 LYS 82 20.357 4.818 -4.562 473 HG3 LYS 82 HG3 LYS 82 22.002 4.189 -4.523 474 HD2 LYS 82 HD2 LYS 82 19.825 2.508 -5.696 475 HD3 LYS 82 HD3 LYS 82 20.474 3.846 -6.639 476 HE2 LYS 82 HE2 LYS 82 21.676 1.871 -7.247 477 HE3 LYS 82 HE3 LYS 82 22.757 2.884 -6.299 478 HZ1 LYS 82 HZ1 LYS 82 21.241 0.566 -5.234 479 HZ2 LYS 82 HZ2 LYS 82 22.392 1.482 -4.395 480 HZ3 LYS 82 HZ3 LYS 82 22.863 0.521 -5.701 481 H CYS 83 H CYS 83 16.985 4.598 -3.035 482 HA CYS 83 HA CYS 83 18.210 6.997 -1.915 483 HB2 CYS 83 HB2 CYS 83 16.319 8.214 -2.696 484 HB3 CYS 83 HB3 CYS 83 16.758 7.097 -3.981 485 H GLY 84 H GLY 84 15.829 4.565 -1.189 486 HA2 GLY 84 HA2 GLY 84 15.734 4.171 1.310 487 HA3 GLY 84 HA3 GLY 84 15.348 5.884 1.414 488 H LYS 85 H LYS 85 13.793 5.524 -1.183 489 HA LYS 85 HA LYS 85 11.266 4.909 0.102 490 HB2 LYS 85 HB2 LYS 85 11.815 5.615 -2.784 491 HB3 LYS 85 HB3 LYS 85 10.247 5.615 -1.988 492 HG2 LYS 85 HG2 LYS 85 12.555 7.414 -1.322 493 HG3 LYS 85 HG3 LYS 85 11.134 7.856 -2.271 494 HD2 LYS 85 HD2 LYS 85 9.698 7.502 -0.367 495 HD3 LYS 85 HD3 LYS 85 11.055 6.892 0.587 496 HE2 LYS 85 HE2 LYS 85 12.146 9.022 0.462 497 HE3 LYS 85 HE3 LYS 85 10.873 9.654 -0.578 498 HZ1 LYS 85 HZ1 LYS 85 10.603 10.350 1.730 499 HZ2 LYS 85 HZ2 LYS 85 10.502 8.740 2.221 500 HZ3 LYS 85 HZ3 LYS 85 9.301 9.397 1.226 501 H GLY 86 H GLY 86 13.279 3.628 -2.447 502 HA2 GLY 86 HA2 GLY 86 13.457 1.419 -3.165 503 HA3 GLY 86 HA3 GLY 86 12.162 0.987 -2.057 504 H CYS 87 H CYS 87 12.452 3.185 -4.854 505 HA CYS 87 HA CYS 87 9.792 2.500 -5.683 506 HB2 CYS 87 HB2 CYS 87 10.228 4.041 -7.565 507 HB3 CYS 87 HB3 CYS 87 10.539 4.766 -5.995 508 H THR 88 H THR 88 13.044 1.783 -6.748 509 HA THR 88 HA THR 88 13.932 0.303 -8.208 510 HB THR 88 HB THR 88 12.872 -1.961 -8.336 511 HG1 THR 88 HG1 THR 88 10.712 -0.558 -7.468 512 HG21 THR 88 HG21 THR 88 14.421 -1.363 -6.547 513 HG22 THR 88 HG22 THR 88 13.173 -2.466 -5.970 514 HG23 THR 88 HG23 THR 88 13.079 -0.748 -5.582 515 H GLY 89 H GLY 89 12.737 2.279 -9.561 516 HA2 GLY 89 HA2 GLY 89 12.660 1.614 -12.127 517 HA3 GLY 89 HA3 GLY 89 11.061 1.089 -11.626 518 HA PRO 90 HA PRO 90 11.568 5.878 -12.261 519 HB2 PRO 90 HB2 PRO 90 11.191 6.192 -14.928 520 HB3 PRO 90 HB3 PRO 90 12.791 5.965 -14.211 521 HG2 PRO 90 HG2 PRO 90 11.001 3.937 -15.511 522 HG3 PRO 90 HG3 PRO 90 12.735 4.205 -15.759 523 HD2 PRO 90 HD2 PRO 90 11.828 2.242 -14.169 524 HD3 PRO 90 HD3 PRO 90 13.309 3.143 -13.780 525 H ASP 91 H ASP 91 9.371 3.435 -13.329 526 HA ASP 91 HA ASP 91 7.225 5.353 -13.786 527 HB2 ASP 91 HB2 ASP 91 7.294 2.340 -14.003 528 HB3 ASP 91 HB3 ASP 91 5.865 3.316 -14.298 529 H SER 92 H SER 92 8.508 3.480 -11.272 530 HA SER 92 HA SER 92 5.970 3.470 -9.817 531 HB2 SER 92 HB2 SER 92 7.136 1.303 -10.051 532 HB3 SER 92 HB3 SER 92 8.541 1.982 -9.234 533 HG SER 92 HG SER 92 6.836 2.479 -7.518 534 H CYS 93 H CYS 93 8.609 5.402 -10.172 535 HA CYS 93 HA CYS 93 8.764 6.053 -7.333 536 HB2 CYS 93 HB2 CYS 93 10.827 7.083 -7.745 537 HB3 CYS 93 HB3 CYS 93 10.848 5.638 -8.750 538 H LYS 94 H LYS 94 8.804 8.280 -6.729 539 HA LYS 94 HA LYS 94 7.759 10.242 -8.582 540 HB2 LYS 94 HB2 LYS 94 6.312 9.339 -6.096 541 HB3 LYS 94 HB3 LYS 94 6.072 10.948 -6.764 542 HG2 LYS 94 HG2 LYS 94 5.205 10.078 -8.792 543 HG3 LYS 94 HG3 LYS 94 5.707 8.443 -8.366 544 HD2 LYS 94 HD2 LYS 94 3.671 10.028 -6.819 545 HD3 LYS 94 HD3 LYS 94 3.259 8.909 -8.116 546 HE2 LYS 94 HE2 LYS 94 4.642 8.255 -5.517 547 HE3 LYS 94 HE3 LYS 94 3.016 7.787 -6.003 548 HZ1 LYS 94 HZ1 LYS 94 4.492 5.946 -6.305 549 HZ2 LYS 94 HZ2 LYS 94 5.562 6.870 -7.218 550 HZ3 LYS 94 HZ3 LYS 94 4.033 6.496 -7.838 551 H CYS 95 H CYS 95 10.217 9.616 -7.104 552 HA CYS 95 HA CYS 95 10.440 11.784 -5.189 553 HB2 CYS 95 HB2 CYS 95 12.772 10.906 -4.897 554 HB3 CYS 95 HB3 CYS 95 11.523 9.717 -4.555 555 H ASP 96 H ASP 96 12.890 12.816 -5.560 556 HA ASP 96 HA ASP 96 12.469 14.241 -8.033 557 HB2 ASP 96 HB2 ASP 96 13.873 15.929 -7.247 558 HB3 ASP 96 HB3 ASP 96 13.041 15.369 -5.810 559 H ARG 97 H ARG 97 14.696 14.975 -9.012 560 HA ARG 97 HA ARG 97 15.758 12.463 -10.069 561 HB2 ARG 97 HB2 ARG 97 16.635 13.850 -11.878 562 HB3 ARG 97 HB3 ARG 97 14.896 14.054 -11.664 563 HG2 ARG 97 HG2 ARG 97 15.134 16.140 -10.715 564 HG3 ARG 97 HG3 ARG 97 16.840 15.880 -10.347 565 HD2 ARG 97 HD2 ARG 97 16.742 17.362 -12.170 566 HD3 ARG 97 HD3 ARG 97 17.243 15.798 -12.802 567 HE ARG 97 HE ARG 97 14.446 16.021 -13.025 568 HH11 ARG 97 HH11 ARG 97 17.386 17.340 -14.421 569 HH12 ARG 97 HH12 ARG 97 16.651 17.752 -15.929 570 HH21 ARG 97 HH21 ARG 97 13.440 16.606 -15.017 571 HH22 ARG 97 HH22 ARG 97 14.375 17.347 -16.267 572 H SER 98 H SER 98 16.662 14.801 -7.849 573 HA SER 98 HA SER 98 19.511 14.362 -8.351 574 HB2 SER 98 HB2 SER 98 18.084 16.667 -7.840 575 HB3 SER 98 HB3 SER 98 18.754 16.270 -6.255 576 HG SER 98 HG SER 98 20.079 16.849 -8.686 577 H CYS 99 H CYS 99 17.499 12.531 -7.176 578 HA CYS 99 HA CYS 99 18.027 12.388 -4.367 579 HB2 CYS 99 HB2 CYS 99 15.932 11.612 -5.805 580 HB3 CYS 99 HB3 CYS 99 16.845 10.108 -5.886 581 H SER 100 H SER 100 18.693 10.088 -3.534 582 HA SER 100 HA SER 100 21.410 9.821 -4.282 583 HB2 SER 100 HB2 SER 100 20.598 9.469 -1.970 584 HB3 SER 100 HB3 SER 100 19.788 7.996 -2.498 585 HG SER 100 HG SER 100 22.532 8.333 -2.996 586 H CYS 101 H CYS 101 18.580 8.234 -5.470 587 HA CYS 101 HA CYS 101 20.059 5.926 -6.384 588 HB2 CYS 101 HB2 CYS 101 17.824 5.384 -7.510 589 HB3 CYS 101 HB3 CYS 101 17.876 5.385 -5.749 590 H LYS 102 H LYS 102 19.371 9.048 -7.576 591 HA LYS 102 HA LYS 102 19.704 8.240 -10.353 592 HB2 LYS 102 HB2 LYS 102 19.212 10.952 -9.147 593 HB3 LYS 102 HB3 LYS 102 19.336 10.618 -10.871 594 HG2 LYS 102 HG2 LYS 102 17.459 8.801 -9.929 595 HG3 LYS 102 HG3 LYS 102 17.100 10.304 -9.089 596 HD2 LYS 102 HD2 LYS 102 16.952 11.488 -11.183 597 HD3 LYS 102 HD3 LYS 102 17.447 10.057 -12.071 598 HE2 LYS 102 HE2 LYS 102 14.922 10.556 -11.995 599 HE3 LYS 102 HE3 LYS 102 15.468 8.912 -11.649 600 HZ1 LYS 102 HZ1 LYS 102 13.741 9.764 -10.085 601 HZ2 LYS 102 HZ2 LYS 102 14.843 10.906 -9.501 602 HZ3 LYS 102 HZ3 LYS 102 15.154 9.252 -9.330 Start of MODEL 5 1 HA2 GLY 1 HA2 GLY 1 15.164 21.071 15.942 2 HA3 GLY 1 HA3 GLY 1 15.329 22.327 17.157 3 H SER 2 H SER 2 12.723 21.802 14.848 4 HA SER 2 HA SER 2 10.891 21.246 17.087 5 HB2 SER 2 HB2 SER 2 10.186 22.944 14.688 6 HB3 SER 2 HB3 SER 2 9.255 22.731 16.168 7 HG SER 2 HG SER 2 10.840 23.871 17.292 8 H MET 3 H MET 3 12.259 19.482 15.193 9 HA MET 3 HA MET 3 11.890 17.707 13.829 10 HB2 MET 3 HB2 MET 3 9.030 18.156 14.705 11 HB3 MET 3 HB3 MET 3 9.512 16.825 13.665 12 HG2 MET 3 HG2 MET 3 10.501 17.329 16.460 13 HG3 MET 3 HG3 MET 3 9.308 16.124 15.984 14 HE1 MET 3 HE1 MET 3 10.802 14.310 17.295 15 HE2 MET 3 HE2 MET 3 12.001 15.544 17.678 16 HE3 MET 3 HE3 MET 3 12.506 14.022 16.946 17 H SER 4 H SER 4 11.830 20.472 12.916 18 HA SER 4 HA SER 4 9.995 20.590 10.715 19 HB2 SER 4 HB2 SER 4 12.335 22.388 11.383 20 HB3 SER 4 HB3 SER 4 11.030 22.743 10.250 21 HG SER 4 HG SER 4 9.750 23.221 11.848 22 H SER 5 H SER 5 10.831 18.501 9.846 23 HA SER 5 HA SER 5 13.407 18.522 8.600 24 HB2 SER 5 HB2 SER 5 12.236 16.437 9.373 25 HB3 SER 5 HB3 SER 5 11.084 16.670 8.057 26 HG SER 5 HG SER 5 13.696 16.781 7.237 27 H VAL 6 H VAL 6 13.800 19.762 6.957 28 HA VAL 6 HA VAL 6 13.654 21.103 5.191 29 HB VAL 6 HB VAL 6 13.525 18.771 4.168 30 HG11 VAL 6 HG11 VAL 6 11.240 18.275 4.713 31 HG12 VAL 6 HG12 VAL 6 11.527 18.140 2.972 32 HG13 VAL 6 HG13 VAL 6 10.679 19.547 3.628 33 HG21 VAL 6 HG21 VAL 6 12.484 21.101 2.571 34 HG22 VAL 6 HG22 VAL 6 13.168 19.626 1.892 35 HG23 VAL 6 HG23 VAL 6 14.174 20.699 2.865 36 H PHE 7 H PHE 7 11.426 21.297 7.269 37 HA PHE 7 HA PHE 7 9.680 23.051 5.650 38 HB2 PHE 7 HB2 PHE 7 8.990 21.635 8.245 39 HB3 PHE 7 HB3 PHE 7 7.951 22.815 7.456 40 HD1 PHE 7 HD1 PHE 7 8.342 19.465 8.000 41 HD2 PHE 7 HD2 PHE 7 7.677 22.178 4.793 42 HE1 PHE 7 HE1 PHE 7 7.319 17.656 6.689 43 HE2 PHE 7 HE2 PHE 7 6.652 20.373 3.475 44 HZ PHE 7 HZ PHE 7 6.471 18.107 4.423 45 H GLY 8 H GLY 8 8.611 24.708 7.281 46 HA2 GLY 8 HA2 GLY 8 10.828 26.110 8.583 47 HA3 GLY 8 HA3 GLY 8 9.263 26.788 8.156 48 H ALA 9 H ALA 9 8.866 27.608 10.209 49 HA ALA 9 HA ALA 9 8.635 25.611 12.337 50 HB1 ALA 9 HB1 ALA 9 8.594 28.613 12.590 51 HB2 ALA 9 HB2 ALA 9 10.016 27.598 12.814 52 HB3 ALA 9 HB3 ALA 9 8.641 27.442 13.908 53 H GLY 10 H GLY 10 6.837 28.014 10.522 54 HA2 GLY 10 HA2 GLY 10 4.372 26.827 11.615 55 HA3 GLY 10 HA3 GLY 10 4.548 28.568 11.468 56 H CYS 11 H CYS 11 5.165 25.751 9.334 57 HA CYS 11 HA CYS 11 4.353 27.163 7.020 58 HB2 CYS 11 HB2 CYS 11 4.523 24.193 7.436 59 HB3 CYS 11 HB3 CYS 11 4.572 25.054 5.899 60 H THR 12 H THR 12 2.600 26.357 5.598 61 HA THR 12 HA THR 12 0.132 26.248 7.082 62 HB THR 12 HB THR 12 -0.924 26.373 4.836 63 HG1 THR 12 HG1 THR 12 1.741 26.660 3.829 64 HG21 THR 12 HG21 THR 12 -0.126 28.625 4.305 65 HG22 THR 12 HG22 THR 12 1.255 28.384 5.379 66 HG23 THR 12 HG23 THR 12 -0.383 28.407 6.033 67 H ASP 13 H ASP 13 -1.589 24.725 6.264 68 HA ASP 13 HA ASP 13 -0.689 22.034 6.504 69 HB2 ASP 13 HB2 ASP 13 -2.869 22.776 7.380 70 HB3 ASP 13 HB3 ASP 13 -3.408 23.140 5.748 71 H VAL 14 H VAL 14 -1.282 24.203 3.933 72 HA VAL 14 HA VAL 14 -1.700 22.365 1.813 73 HB VAL 14 HB VAL 14 -0.491 25.131 1.595 74 HG11 VAL 14 HG11 VAL 14 -2.127 23.506 -0.342 75 HG12 VAL 14 HG12 VAL 14 -0.397 23.829 -0.450 76 HG13 VAL 14 HG13 VAL 14 -1.553 25.151 -0.609 77 HG21 VAL 14 HG21 VAL 14 -2.778 25.981 1.336 78 HG22 VAL 14 HG22 VAL 14 -2.515 25.284 2.935 79 HG23 VAL 14 HG23 VAL 14 -3.409 24.379 1.714 80 H CYS 15 H CYS 15 1.122 23.640 3.429 81 HA CYS 15 HA CYS 15 3.030 22.862 1.460 82 HB2 CYS 15 HB2 CYS 15 3.517 24.659 3.026 83 HB3 CYS 15 HB3 CYS 15 3.298 23.573 4.390 84 H LYS 16 H LYS 16 1.381 21.297 4.058 85 HA LYS 16 HA LYS 16 3.287 19.135 4.286 86 HB2 LYS 16 HB2 LYS 16 0.528 19.313 5.516 87 HB3 LYS 16 HB3 LYS 16 1.844 18.260 6.012 88 HG2 LYS 16 HG2 LYS 16 1.877 21.272 6.201 89 HG3 LYS 16 HG3 LYS 16 1.510 20.177 7.531 90 HD2 LYS 16 HD2 LYS 16 3.708 19.459 7.717 91 HD3 LYS 16 HD3 LYS 16 4.089 19.858 6.040 92 HE2 LYS 16 HE2 LYS 16 5.199 21.435 7.469 93 HE3 LYS 16 HE3 LYS 16 3.885 22.249 6.610 94 HZ1 LYS 16 HZ1 LYS 16 3.709 21.237 9.397 95 HZ2 LYS 16 HZ2 LYS 16 2.528 22.118 8.574 96 HZ3 LYS 16 HZ3 LYS 16 3.998 22.846 8.980 97 H GLN 17 H GLN 17 1.228 19.869 1.932 98 HA GLN 17 HA GLN 17 -0.175 17.410 1.508 99 HB2 GLN 17 HB2 GLN 17 0.440 19.758 -0.260 100 HB3 GLN 17 HB3 GLN 17 -0.279 18.305 -0.928 101 HG2 GLN 17 HG2 GLN 17 -2.144 18.571 0.701 102 HG3 GLN 17 HG3 GLN 17 -1.434 20.115 1.172 103 HE21 GLN 17 HE21 GLN 17 -3.263 21.240 0.483 104 HE22 GLN 17 HE22 GLN 17 -3.611 21.485 -1.196 105 H THR 18 H THR 18 0.226 16.422 -0.850 106 HA THR 18 HA THR 18 3.013 16.066 -1.487 107 HB THR 18 HB THR 18 1.436 13.655 -0.523 108 HG1 THR 18 HG1 THR 18 2.722 15.451 0.903 109 HG21 THR 18 HG21 THR 18 3.584 12.468 -0.789 110 HG22 THR 18 HG22 THR 18 4.307 13.940 -1.441 111 HG23 THR 18 HG23 THR 18 3.014 13.128 -2.323 112 HA PRO 19 HA PRO 19 3.947 16.434 -3.202 113 HB2 PRO 19 HB2 PRO 19 3.780 18.147 -5.288 114 HB3 PRO 19 HB3 PRO 19 4.246 16.453 -5.487 115 HG2 PRO 19 HG2 PRO 19 1.587 17.754 -5.941 116 HG3 PRO 19 HG3 PRO 19 2.430 16.555 -6.939 117 HD2 PRO 19 HD2 PRO 19 0.424 15.897 -5.237 118 HD3 PRO 19 HD3 PRO 19 1.765 14.796 -5.613 119 H CYS 20 H CYS 20 4.557 18.742 -2.920 120 HA CYS 20 HA CYS 20 2.986 20.011 -1.053 121 HB2 CYS 20 HB2 CYS 20 5.427 20.389 -1.508 122 HB3 CYS 20 HB3 CYS 20 4.949 21.387 -2.877 123 H GLY 21 H GLY 21 1.162 21.094 -1.191 124 HA2 GLY 21 HA2 GLY 21 -0.020 21.527 -3.758 125 HA3 GLY 21 HA3 GLY 21 -0.758 21.828 -2.196 126 H CYS 22 H CYS 22 1.859 23.474 -1.671 127 HA CYS 22 HA CYS 22 0.678 25.985 -2.125 128 HB2 CYS 22 HB2 CYS 22 3.514 25.213 -1.510 129 HB3 CYS 22 HB3 CYS 22 2.997 26.888 -1.637 130 H ALA 23 H ALA 23 2.598 23.997 -4.187 131 HA ALA 23 HA ALA 23 3.476 26.142 -5.870 132 HB1 ALA 23 HB1 ALA 23 4.816 24.108 -5.592 133 HB2 ALA 23 HB2 ALA 23 4.418 24.405 -7.285 134 HB3 ALA 23 HB3 ALA 23 3.543 23.171 -6.376 135 H THR 24 H THR 24 0.566 24.413 -5.619 136 HA THR 24 HA THR 24 -0.165 25.380 -8.296 137 HB THR 24 HB THR 24 -0.023 22.960 -8.426 138 HG1 THR 24 HG1 THR 24 -2.160 24.364 -9.017 139 HG21 THR 24 HG21 THR 24 -0.317 22.383 -6.080 140 HG22 THR 24 HG22 THR 24 -1.494 21.511 -7.062 141 HG23 THR 24 HG23 THR 24 -1.994 22.924 -6.133 142 H SER 25 H SER 25 -0.969 25.202 -4.958 143 HA SER 25 HA SER 25 -3.616 26.344 -5.471 144 HB2 SER 25 HB2 SER 25 -3.481 24.340 -3.988 145 HB3 SER 25 HB3 SER 25 -2.480 25.267 -2.876 146 HG SER 25 HG SER 25 -5.035 26.173 -3.670 147 H GLY 26 H GLY 26 -0.494 27.030 -3.986 148 HA2 GLY 26 HA2 GLY 26 -0.040 29.505 -4.077 149 HA3 GLY 26 HA3 GLY 26 -1.536 29.649 -3.164 150 H CYS 27 H CYS 27 1.214 30.412 -2.486 151 HA CYS 27 HA CYS 27 1.698 28.662 -0.187 152 HB2 CYS 27 HB2 CYS 27 3.611 28.899 -1.619 153 HB3 CYS 27 HB3 CYS 27 3.481 30.652 -1.572 154 H ASN 28 H ASN 28 1.966 29.483 1.863 155 HA ASN 28 HA ASN 28 1.662 32.331 2.342 156 HB2 ASN 28 HB2 ASN 28 -0.663 31.385 2.321 157 HB3 ASN 28 HB3 ASN 28 -0.208 30.323 3.638 158 HD21 ASN 28 HD21 ASN 28 -0.281 31.081 5.696 159 HD22 ASN 28 HD22 ASN 28 -0.734 32.694 6.117 160 H CYS 29 H CYS 29 3.671 30.108 2.618 161 HA CYS 29 HA CYS 29 3.985 29.804 5.464 162 HB2 CYS 29 HB2 CYS 29 5.707 28.937 3.145 163 HB3 CYS 29 HB3 CYS 29 6.046 28.563 4.832 164 H THR 30 H THR 30 6.364 30.140 6.234 165 HA THR 30 HA THR 30 6.846 32.991 5.904 166 HB THR 30 HB THR 30 8.173 32.765 7.954 167 HG1 THR 30 HG1 THR 30 8.320 30.717 8.940 168 HG21 THR 30 HG21 THR 30 6.366 32.087 9.473 169 HG22 THR 30 HG22 THR 30 5.509 31.344 8.124 170 HG23 THR 30 HG23 THR 30 5.745 33.094 8.164 171 H ASP 31 H ASP 31 9.328 33.463 6.414 172 HA ASP 31 HA ASP 31 10.870 32.466 4.221 173 HB2 ASP 31 HB2 ASP 31 11.189 34.759 4.971 174 HB3 ASP 31 HB3 ASP 31 11.606 34.206 6.588 175 H ASP 32 H ASP 32 10.356 31.576 7.482 176 HA ASP 32 HA ASP 32 12.758 30.148 7.988 177 HB2 ASP 32 HB2 ASP 32 10.029 29.691 9.211 178 HB3 ASP 32 HB3 ASP 32 11.582 29.217 9.888 179 H CYS 33 H CYS 33 9.908 29.527 6.206 180 HA CYS 33 HA CYS 33 9.951 26.707 6.188 181 HB2 CYS 33 HB2 CYS 33 7.961 27.800 5.407 182 HB3 CYS 33 HB3 CYS 33 8.873 28.734 4.231 183 H LYS 34 H LYS 34 11.751 25.671 5.691 184 HA LYS 34 HA LYS 34 13.427 26.622 3.506 185 HB2 LYS 34 HB2 LYS 34 13.929 24.445 5.538 186 HB3 LYS 34 HB3 LYS 34 15.111 25.086 4.396 187 HG2 LYS 34 HG2 LYS 34 14.744 27.339 5.522 188 HG3 LYS 34 HG3 LYS 34 13.880 26.453 6.776 189 HD2 LYS 34 HD2 LYS 34 16.117 26.732 7.539 190 HD3 LYS 34 HD3 LYS 34 15.957 25.043 7.053 191 HE2 LYS 34 HE2 LYS 34 17.061 25.492 4.964 192 HE3 LYS 34 HE3 LYS 34 17.086 27.220 5.309 193 HZ1 LYS 34 HZ1 LYS 34 19.225 26.241 5.753 194 HZ2 LYS 34 HZ2 LYS 34 18.544 25.112 6.810 195 HZ3 LYS 34 HZ3 LYS 34 18.533 26.754 7.207 196 H CYS 35 H CYS 35 10.806 25.244 3.136 197 HA CYS 35 HA CYS 35 11.354 22.625 2.176 198 HB2 CYS 35 HB2 CYS 35 9.098 23.317 2.921 199 HB3 CYS 35 HB3 CYS 35 9.005 24.436 1.566 200 H GLN 36 H GLN 36 12.018 21.976 0.214 201 HA GLN 36 HA GLN 36 12.857 24.019 -1.645 202 HB2 GLN 36 HB2 GLN 36 13.934 22.231 -2.894 203 HB3 GLN 36 HB3 GLN 36 14.368 22.157 -1.195 204 HG2 GLN 36 HG2 GLN 36 12.963 20.277 -0.836 205 HG3 GLN 36 HG3 GLN 36 12.222 20.451 -2.427 206 HE21 GLN 36 HE21 GLN 36 15.093 19.525 -0.702 207 HE22 GLN 36 HE22 GLN 36 15.816 18.627 -1.993 208 H SER 37 H SER 37 9.996 22.549 -1.124 209 HA SER 37 HA SER 37 9.380 22.014 -3.904 210 HB2 SER 37 HB2 SER 37 7.685 21.629 -1.440 211 HB3 SER 37 HB3 SER 37 7.292 21.077 -3.071 212 HG SER 37 HG SER 37 9.698 20.185 -2.584 213 H CYS 38 H CYS 38 7.980 24.092 -1.277 214 HA CYS 38 HA CYS 38 6.433 25.404 -3.325 215 HB2 CYS 38 HB2 CYS 38 5.436 26.725 -1.493 216 HB3 CYS 38 HB3 CYS 38 5.332 24.995 -1.215 217 H LYS 39 H LYS 39 9.471 25.685 -2.082 218 HA LYS 39 HA LYS 39 9.706 28.437 -3.087 219 HB2 LYS 39 HB2 LYS 39 11.131 26.999 -0.873 220 HB3 LYS 39 HB3 LYS 39 11.995 28.238 -1.764 221 HG2 LYS 39 HG2 LYS 39 11.108 29.261 0.189 222 HG3 LYS 39 HG3 LYS 39 10.144 29.830 -1.172 223 HD2 LYS 39 HD2 LYS 39 8.358 28.322 -0.593 224 HD3 LYS 39 HD3 LYS 39 9.347 27.574 0.663 225 HE2 LYS 39 HE2 LYS 39 8.417 30.442 0.628 226 HE3 LYS 39 HE3 LYS 39 7.716 29.145 1.598 227 HZ1 LYS 39 HZ1 LYS 39 9.898 28.880 2.664 228 HZ2 LYS 39 HZ2 LYS 39 9.232 30.416 2.930 229 HZ3 LYS 39 HZ3 LYS 39 10.470 30.213 1.799 230 H TYR 40 H TYR 40 9.574 26.292 -4.828 231 HA TYR 40 HA TYR 40 12.120 25.256 -5.541 232 HB2 TYR 40 HB2 TYR 40 9.421 24.904 -6.394 233 HB3 TYR 40 HB3 TYR 40 10.405 25.249 -7.811 234 HD1 TYR 40 HD1 TYR 40 9.066 22.646 -6.097 235 HD2 TYR 40 HD2 TYR 40 12.859 23.953 -7.508 236 HE1 TYR 40 HE1 TYR 40 9.865 20.320 -6.096 237 HE2 TYR 40 HE2 TYR 40 13.663 21.638 -7.511 238 HH TYR 40 HH TYR 40 13.194 19.540 -6.528 239 H GLY 41 H GLY 41 13.362 25.716 -7.434 240 HA2 GLY 41 HA2 GLY 41 12.927 27.769 -9.245 241 HA3 GLY 41 HA3 GLY 41 13.767 28.486 -7.877 242 H ALA 42 H ALA 42 15.376 26.283 -7.181 243 HA ALA 42 HA ALA 42 17.365 26.494 -9.312 244 HB1 ALA 42 HB1 ALA 42 17.647 25.463 -6.490 245 HB2 ALA 42 HB2 ALA 42 18.023 27.099 -7.028 246 HB3 ALA 42 HB3 ALA 42 18.960 25.733 -7.634 247 H GLY 43 H GLY 43 14.970 24.601 -9.186 248 HA2 GLY 43 HA2 GLY 43 16.488 22.264 -9.995 249 HA3 GLY 43 HA3 GLY 43 15.294 22.040 -8.737 250 H CYS 44 H CYS 44 13.684 24.147 -10.301 251 HA CYS 44 HA CYS 44 12.579 22.187 -12.194 252 HB2 CYS 44 HB2 CYS 44 11.149 23.861 -10.159 253 HB3 CYS 44 HB3 CYS 44 10.317 23.275 -11.593 254 H THR 45 H THR 45 10.790 23.282 -13.506 255 HA THR 45 HA THR 45 11.444 25.988 -14.324 256 HB THR 45 HB THR 45 12.756 24.462 -15.814 257 HG1 THR 45 HG1 THR 45 12.069 26.393 -16.717 258 HG21 THR 45 HG21 THR 45 11.544 23.042 -17.423 259 HG22 THR 45 HG22 THR 45 10.028 23.423 -16.607 260 HG23 THR 45 HG23 THR 45 11.281 22.516 -15.761 261 H ASP 46 H ASP 46 9.703 26.585 -16.076 262 HA ASP 46 HA ASP 46 7.182 26.158 -14.779 263 HB2 ASP 46 HB2 ASP 46 8.035 27.812 -17.134 264 HB3 ASP 46 HB3 ASP 46 6.326 27.593 -16.761 265 H THR 47 H THR 47 8.832 24.599 -17.266 266 HA THR 47 HA THR 47 6.572 23.586 -18.694 267 HB THR 47 HB THR 47 9.273 22.255 -18.647 268 HG1 THR 47 HG1 THR 47 9.716 23.899 -20.393 269 HG21 THR 47 HG21 THR 47 7.268 22.813 -20.843 270 HG22 THR 47 HG22 THR 47 7.491 21.268 -20.019 271 HG23 THR 47 HG23 THR 47 8.779 21.923 -21.029 272 H CYS 48 H CYS 48 8.282 22.703 -15.832 273 HA CYS 48 HA CYS 48 7.489 19.931 -15.781 274 HB2 CYS 48 HB2 CYS 48 9.606 20.608 -14.774 275 HB3 CYS 48 HB3 CYS 48 8.779 21.728 -13.704 276 H LYS 49 H LYS 49 6.478 22.912 -14.275 277 HA LYS 49 HA LYS 49 4.612 21.644 -12.474 278 HB2 LYS 49 HB2 LYS 49 4.159 23.946 -11.759 279 HB3 LYS 49 HB3 LYS 49 5.876 23.554 -11.742 280 HG2 LYS 49 HG2 LYS 49 5.993 24.628 -14.039 281 HG3 LYS 49 HG3 LYS 49 4.379 25.253 -13.708 282 HD2 LYS 49 HD2 LYS 49 6.829 25.722 -12.026 283 HD3 LYS 49 HD3 LYS 49 6.115 26.878 -13.153 284 HE2 LYS 49 HE2 LYS 49 4.061 26.917 -11.843 285 HE3 LYS 49 HE3 LYS 49 4.720 25.712 -10.739 286 HZ1 LYS 49 HZ1 LYS 49 6.451 27.311 -10.130 287 HZ2 LYS 49 HZ2 LYS 49 4.907 27.906 -9.800 288 HZ3 LYS 49 HZ3 LYS 49 5.753 28.465 -11.150 289 H GLN 50 H GLN 50 4.288 21.943 -15.634 290 HA GLN 50 HA GLN 50 2.012 23.522 -16.088 291 HB2 GLN 50 HB2 GLN 50 2.838 21.037 -17.548 292 HB3 GLN 50 HB3 GLN 50 1.694 22.239 -18.135 293 HG2 GLN 50 HG2 GLN 50 3.694 23.871 -17.761 294 HG3 GLN 50 HG3 GLN 50 4.646 22.395 -17.869 295 HE21 GLN 50 HE21 GLN 50 4.703 24.584 -19.622 296 HE22 GLN 50 HE22 GLN 50 4.223 24.025 -21.189 297 H THR 51 H THR 51 2.339 20.280 -14.901 298 HA THR 51 HA THR 51 0.894 18.891 -13.848 299 HB THR 51 HB THR 51 -1.188 21.083 -14.087 300 HG1 THR 51 HG1 THR 51 0.762 21.736 -12.970 301 HG21 THR 51 HG21 THR 51 -2.085 18.869 -13.512 302 HG22 THR 51 HG22 THR 51 -2.197 19.980 -12.147 303 HG23 THR 51 HG23 THR 51 -0.934 18.749 -12.182 304 HA PRO 52 HA PRO 52 0.450 16.863 -13.847 305 HB2 PRO 52 HB2 PRO 52 1.456 15.117 -15.999 306 HB3 PRO 52 HB3 PRO 52 0.491 14.695 -14.583 307 HG2 PRO 52 HG2 PRO 52 -0.564 14.675 -17.047 308 HG3 PRO 52 HG3 PRO 52 -1.508 15.182 -15.635 309 HD2 PRO 52 HD2 PRO 52 -0.163 16.866 -17.717 310 HD3 PRO 52 HD3 PRO 52 -1.774 17.050 -16.989 311 H CYS 53 H CYS 53 2.039 17.088 -17.005 312 HA CYS 53 HA CYS 53 4.085 18.789 -16.049 313 HB2 CYS 53 HB2 CYS 53 4.741 16.506 -15.178 314 HB3 CYS 53 HB3 CYS 53 4.939 16.016 -16.854 315 H GLY 54 H GLY 54 5.235 19.697 -17.800 316 HA2 GLY 54 HA2 GLY 54 4.215 18.849 -20.424 317 HA3 GLY 54 HA3 GLY 54 4.694 20.491 -20.018 318 H CYS 55 H CYS 55 6.955 18.689 -18.532 319 HA CYS 55 HA CYS 55 8.925 19.251 -20.482 320 HB2 CYS 55 HB2 CYS 55 8.975 17.692 -17.911 321 HB3 CYS 55 HB3 CYS 55 10.409 17.962 -18.892 322 H GLY 56 H GLY 56 8.193 16.111 -18.975 323 HA2 GLY 56 HA2 GLY 56 8.169 13.981 -19.839 324 HA3 GLY 56 HA3 GLY 56 7.761 14.713 -21.386 325 H SER 57 H SER 57 9.251 14.764 -22.947 326 HA SER 57 HA SER 57 11.954 13.873 -22.238 327 HB2 SER 57 HB2 SER 57 10.576 12.508 -23.892 328 HB3 SER 57 HB3 SER 57 10.728 13.868 -25.003 329 HG SER 57 HG SER 57 12.639 13.177 -25.477 330 H GLY 58 H GLY 58 10.214 16.559 -22.865 331 HA2 GLY 58 HA2 GLY 58 12.514 17.983 -24.048 332 HA3 GLY 58 HA3 GLY 58 10.834 18.483 -24.234 333 H CYS 59 H CYS 59 13.040 17.631 -21.637 334 HA CYS 59 HA CYS 59 11.675 19.295 -19.759 335 HB2 CYS 59 HB2 CYS 59 12.532 17.303 -18.923 336 HB3 CYS 59 HB3 CYS 59 14.110 17.543 -19.668 337 H ASN 60 H ASN 60 12.721 20.960 -18.484 338 HA ASN 60 HA ASN 60 14.934 22.382 -19.739 339 HB2 ASN 60 HB2 ASN 60 12.820 23.133 -20.883 340 HB3 ASN 60 HB3 ASN 60 12.226 23.698 -19.332 341 HD21 ASN 60 HD21 ASN 60 12.859 25.651 -18.599 342 HD22 ASN 60 HD22 ASN 60 13.920 26.719 -19.451 343 H CYS 61 H CYS 61 14.266 20.989 -17.160 344 HA CYS 61 HA CYS 61 13.951 23.006 -15.159 345 HB2 CYS 61 HB2 CYS 61 14.485 20.076 -15.117 346 HB3 CYS 61 HB3 CYS 61 14.723 21.023 -13.650 347 H LYS 62 H LYS 62 15.605 22.575 -13.182 348 HA LYS 62 HA LYS 62 18.087 23.711 -14.196 349 HB2 LYS 62 HB2 LYS 62 16.958 23.646 -11.400 350 HB3 LYS 62 HB3 LYS 62 18.417 24.484 -11.855 351 HG2 LYS 62 HG2 LYS 62 15.744 25.150 -13.070 352 HG3 LYS 62 HG3 LYS 62 16.276 25.851 -11.544 353 HD2 LYS 62 HD2 LYS 62 16.890 27.473 -13.123 354 HD3 LYS 62 HD3 LYS 62 18.386 26.573 -12.891 355 HE2 LYS 62 HE2 LYS 62 17.971 25.318 -14.912 356 HE3 LYS 62 HE3 LYS 62 16.411 26.110 -15.110 357 HZ1 LYS 62 HZ1 LYS 62 19.068 27.430 -15.195 358 HZ2 LYS 62 HZ2 LYS 62 17.577 28.210 -15.385 359 HZ3 LYS 62 HZ3 LYS 62 18.092 27.074 -16.528 360 H GLU 63 H GLU 63 17.865 22.073 -11.094 361 HA GLU 63 HA GLU 63 19.541 19.864 -12.030 362 HB2 GLU 63 HB2 GLU 63 21.120 21.690 -11.482 363 HB3 GLU 63 HB3 GLU 63 20.423 21.812 -9.878 364 HG2 GLU 63 HG2 GLU 63 22.215 20.543 -9.343 365 HG3 GLU 63 HG3 GLU 63 21.140 19.236 -9.824 366 H ASP 64 H ASP 64 17.880 21.413 -9.333 367 HA ASP 64 HA ASP 64 17.868 18.925 -7.793 368 HB2 ASP 64 HB2 ASP 64 18.256 21.420 -6.953 369 HB3 ASP 64 HB3 ASP 64 16.508 21.416 -6.893 370 H CYS 65 H CYS 65 16.317 18.556 -10.026 371 HA CYS 65 HA CYS 65 13.572 19.192 -9.312 372 HB2 CYS 65 HB2 CYS 65 14.116 19.262 -11.665 373 HB3 CYS 65 HB3 CYS 65 14.633 17.576 -11.626 374 H ARG 66 H ARG 66 12.181 17.960 -8.325 375 HA ARG 66 HA ARG 66 13.039 15.320 -7.413 376 HB2 ARG 66 HB2 ARG 66 11.097 17.361 -6.424 377 HB3 ARG 66 HB3 ARG 66 10.939 15.685 -5.913 378 HG2 ARG 66 HG2 ARG 66 13.597 16.981 -5.686 379 HG3 ARG 66 HG3 ARG 66 12.341 17.408 -4.514 380 HD2 ARG 66 HD2 ARG 66 12.101 15.136 -3.868 381 HD3 ARG 66 HD3 ARG 66 13.136 14.595 -5.187 382 HE ARG 66 HE ARG 66 14.952 15.868 -4.000 383 HH11 ARG 66 HH11 ARG 66 12.201 14.596 -2.212 384 HH12 ARG 66 HH12 ARG 66 13.108 14.328 -0.769 385 HH21 ARG 66 HH21 ARG 66 16.141 15.520 -2.086 386 HH22 ARG 66 HH22 ARG 66 15.362 14.852 -0.689 387 H CYS 67 H CYS 67 11.501 16.271 -10.043 388 HA CYS 67 HA CYS 67 9.187 14.522 -9.832 389 HB2 CYS 67 HB2 CYS 67 9.049 16.727 -11.012 390 HB3 CYS 67 HB3 CYS 67 10.152 16.097 -12.223 391 H GLN 68 H GLN 68 8.904 12.630 -11.001 392 HA GLN 68 HA GLN 68 11.367 11.533 -12.166 393 HB2 GLN 68 HB2 GLN 68 10.383 9.299 -11.772 394 HB3 GLN 68 HB3 GLN 68 10.584 10.215 -10.290 395 HG2 GLN 68 HG2 GLN 68 7.949 10.561 -11.476 396 HG3 GLN 68 HG3 GLN 68 8.314 8.882 -11.096 397 HE21 GLN 68 HE21 GLN 68 9.635 11.570 -9.304 398 HE22 GLN 68 HE22 GLN 68 8.744 11.297 -7.850 399 H SER 69 H SER 69 8.992 13.190 -13.300 400 HA SER 69 HA SER 69 8.124 11.354 -15.388 401 HB2 SER 69 HB2 SER 69 6.500 12.876 -14.157 402 HB3 SER 69 HB3 SER 69 7.257 14.224 -15.000 403 HG SER 69 HG SER 69 6.422 13.554 -16.880 404 H CYS 70 H CYS 70 10.205 14.130 -14.895 405 HA CYS 70 HA CYS 70 10.739 14.124 -17.774 406 HB2 CYS 70 HB2 CYS 70 11.494 16.469 -17.483 407 HB3 CYS 70 HB3 CYS 70 9.788 16.193 -17.160 408 H SER 71 H SER 71 12.184 13.792 -14.634 409 HA SER 71 HA SER 71 14.855 14.280 -15.198 410 HB2 SER 71 HB2 SER 71 13.596 12.204 -13.391 411 HB3 SER 71 HB3 SER 71 15.330 12.543 -13.421 412 HG SER 71 HG SER 71 13.302 13.932 -12.240 413 H THR 72 H THR 72 16.585 12.998 -15.953 414 HA THR 72 HA THR 72 15.938 11.433 -18.206 415 HB THR 72 HB THR 72 18.128 12.766 -17.728 416 HG1 THR 72 HG1 THR 72 17.839 11.622 -19.640 417 HG21 THR 72 HG21 THR 72 18.923 10.050 -16.633 418 HG22 THR 72 HG22 THR 72 18.721 11.507 -15.660 419 HG23 THR 72 HG23 THR 72 19.988 11.431 -16.884 420 H ALA 73 H ALA 73 16.864 9.229 -18.595 421 HA ALA 73 HA ALA 73 15.622 7.408 -16.853 422 HB1 ALA 73 HB1 ALA 73 15.917 7.003 -19.251 423 HB2 ALA 73 HB2 ALA 73 16.556 5.684 -18.271 424 HB3 ALA 73 HB3 ALA 73 17.656 6.852 -19.001 425 H CYS 74 H CYS 74 16.315 6.981 -14.902 426 HA CYS 74 HA CYS 74 18.930 7.288 -13.955 427 HB2 CYS 74 HB2 CYS 74 16.418 6.123 -12.942 428 HB3 CYS 74 HB3 CYS 74 17.899 5.534 -12.197 429 H LYS 75 H LYS 75 20.292 5.642 -13.087 430 HA LYS 75 HA LYS 75 20.626 3.422 -14.887 431 HB2 LYS 75 HB2 LYS 75 22.122 4.223 -12.384 432 HB3 LYS 75 HB3 LYS 75 22.543 2.820 -13.354 433 HG2 LYS 75 HG2 LYS 75 22.537 5.675 -14.326 434 HG3 LYS 75 HG3 LYS 75 23.965 4.754 -13.851 435 HD2 LYS 75 HD2 LYS 75 23.644 3.205 -15.651 436 HD3 LYS 75 HD3 LYS 75 22.076 3.906 -16.042 437 HE2 LYS 75 HE2 LYS 75 24.791 5.206 -16.377 438 HE3 LYS 75 HE3 LYS 75 23.670 4.725 -17.650 439 HZ1 LYS 75 HZ1 LYS 75 22.109 6.382 -16.789 440 HZ2 LYS 75 HZ2 LYS 75 23.552 7.056 -17.334 441 HZ3 LYS 75 HZ3 LYS 75 23.282 6.895 -15.677 442 H CYS 76 H CYS 76 18.323 3.796 -12.768 443 HA CYS 76 HA CYS 76 18.591 1.258 -11.437 444 HB2 CYS 76 HB2 CYS 76 16.250 3.158 -11.313 445 HB3 CYS 76 HB3 CYS 76 16.610 1.847 -10.208 446 H ALA 77 H ALA 77 18.071 -0.394 -12.671 447 HA ALA 77 HA ALA 77 15.481 -0.709 -13.801 448 HB1 ALA 77 HB1 ALA 77 17.793 -0.460 -15.737 449 HB2 ALA 77 HB2 ALA 77 16.448 0.669 -15.584 450 HB3 ALA 77 HB3 ALA 77 16.159 -0.976 -16.152 451 H ALA 78 H ALA 78 15.044 -2.862 -14.225 452 HA ALA 78 HA ALA 78 15.258 -5.116 -14.044 453 HB1 ALA 78 HB1 ALA 78 18.071 -4.585 -14.999 454 HB2 ALA 78 HB2 ALA 78 16.656 -4.816 -16.028 455 HB3 ALA 78 HB3 ALA 78 17.245 -6.143 -15.027 456 H GLY 79 H GLY 79 15.923 -3.437 -11.724 457 HA2 GLY 79 HA2 GLY 79 16.294 -4.194 -9.509 458 HA3 GLY 79 HA3 GLY 79 17.240 -5.521 -10.155 459 H SER 80 H SER 80 18.166 -2.675 -11.637 460 HA SER 80 HA SER 80 20.681 -2.728 -10.242 461 HB2 SER 80 HB2 SER 80 20.476 -2.474 -12.728 462 HB3 SER 80 HB3 SER 80 19.813 -0.865 -12.464 463 HG SER 80 HG SER 80 21.735 -0.130 -11.959 464 H CYS 81 H CYS 81 18.144 -1.616 -8.892 465 HA CYS 81 HA CYS 81 18.656 1.140 -8.445 466 HB2 CYS 81 HB2 CYS 81 16.453 0.383 -8.056 467 HB3 CYS 81 HB3 CYS 81 17.003 -0.948 -7.049 468 H LYS 82 H LYS 82 19.768 2.106 -6.702 469 HA LYS 82 HA LYS 82 20.896 0.382 -4.656 470 HB2 LYS 82 HB2 LYS 82 23.192 1.010 -5.001 471 HB3 LYS 82 HB3 LYS 82 22.565 0.348 -6.500 472 HG2 LYS 82 HG2 LYS 82 23.402 2.143 -7.510 473 HG3 LYS 82 HG3 LYS 82 22.131 3.079 -6.728 474 HD2 LYS 82 HD2 LYS 82 24.136 4.204 -6.189 475 HD3 LYS 82 HD3 LYS 82 23.719 3.293 -4.740 476 HE2 LYS 82 HE2 LYS 82 25.662 2.295 -6.823 477 HE3 LYS 82 HE3 LYS 82 26.152 3.246 -5.426 478 HZ1 LYS 82 HZ1 LYS 82 25.206 1.506 -4.002 479 HZ2 LYS 82 HZ2 LYS 82 26.455 0.940 -4.974 480 HZ3 LYS 82 HZ3 LYS 82 24.858 0.575 -5.373 481 H CYS 83 H CYS 83 19.066 2.847 -5.043 482 HA CYS 83 HA CYS 83 20.478 4.657 -3.225 483 HB2 CYS 83 HB2 CYS 83 18.711 6.281 -3.729 484 HB3 CYS 83 HB3 CYS 83 19.496 5.704 -5.196 485 H GLY 84 H GLY 84 18.055 2.253 -3.245 486 HA2 GLY 84 HA2 GLY 84 17.359 1.279 -1.179 487 HA3 GLY 84 HA3 GLY 84 17.548 2.846 -0.414 488 H LYS 85 H LYS 85 15.946 3.060 -3.404 489 HA LYS 85 HA LYS 85 13.395 3.409 -2.011 490 HB2 LYS 85 HB2 LYS 85 14.140 4.019 -4.878 491 HB3 LYS 85 HB3 LYS 85 12.601 4.402 -4.119 492 HG2 LYS 85 HG2 LYS 85 15.287 5.519 -3.369 493 HG3 LYS 85 HG3 LYS 85 14.000 6.357 -4.241 494 HD2 LYS 85 HD2 LYS 85 12.574 6.311 -2.330 495 HD3 LYS 85 HD3 LYS 85 13.669 5.225 -1.470 496 HE2 LYS 85 HE2 LYS 85 13.955 7.442 -0.628 497 HE3 LYS 85 HE3 LYS 85 15.383 6.947 -1.544 498 HZ1 LYS 85 HZ1 LYS 85 14.573 8.218 -3.433 499 HZ2 LYS 85 HZ2 LYS 85 14.754 9.218 -2.083 500 HZ3 LYS 85 HZ3 LYS 85 13.212 8.716 -2.556 501 H GLY 86 H GLY 86 15.022 1.305 -4.124 502 HA2 GLY 86 HA2 GLY 86 14.426 -0.721 -5.082 503 HA3 GLY 86 HA3 GLY 86 13.137 -0.784 -3.884 504 H CYS 87 H CYS 87 13.796 1.405 -6.569 505 HA CYS 87 HA CYS 87 10.986 1.161 -7.377 506 HB2 CYS 87 HB2 CYS 87 11.665 3.223 -8.771 507 HB3 CYS 87 HB3 CYS 87 11.546 3.408 -7.021 508 H THR 88 H THR 88 14.268 1.098 -8.615 509 HA THR 88 HA THR 88 15.222 0.285 -10.486 510 HB THR 88 HB THR 88 14.478 -1.953 -11.248 511 HG1 THR 88 HG1 THR 88 12.140 -1.171 -10.206 512 HG21 THR 88 HG21 THR 88 15.947 -1.858 -9.355 513 HG22 THR 88 HG22 THR 88 14.727 -3.096 -9.042 514 HG23 THR 88 HG23 THR 88 14.602 -1.518 -8.268 515 H GLY 89 H GLY 89 13.983 2.411 -11.222 516 HA2 GLY 89 HA2 GLY 89 13.580 2.230 -13.893 517 HA3 GLY 89 HA3 GLY 89 11.964 1.992 -13.219 518 HA PRO 90 HA PRO 90 13.696 6.523 -13.187 519 HB2 PRO 90 HB2 PRO 90 13.006 7.423 -15.664 520 HB3 PRO 90 HB3 PRO 90 14.586 6.735 -15.282 521 HG2 PRO 90 HG2 PRO 90 12.225 5.442 -16.585 522 HG3 PRO 90 HG3 PRO 90 13.942 5.317 -17.010 523 HD2 PRO 90 HD2 PRO 90 12.646 3.393 -15.621 524 HD3 PRO 90 HD3 PRO 90 14.362 3.761 -15.358 525 H ASP 91 H ASP 91 10.785 5.175 -14.633 526 HA ASP 91 HA ASP 91 9.245 7.580 -14.284 527 HB2 ASP 91 HB2 ASP 91 8.214 4.796 -14.838 528 HB3 ASP 91 HB3 ASP 91 7.380 6.316 -15.115 529 H SER 92 H SER 92 10.170 5.043 -12.260 530 HA SER 92 HA SER 92 7.923 5.602 -10.446 531 HB2 SER 92 HB2 SER 92 7.986 3.271 -11.360 532 HB3 SER 92 HB3 SER 92 9.545 3.050 -10.568 533 HG SER 92 HG SER 92 7.330 2.488 -9.499 534 H CYS 93 H CYS 93 10.871 6.619 -10.826 535 HA CYS 93 HA CYS 93 12.112 5.981 -8.326 536 HB2 CYS 93 HB2 CYS 93 12.960 7.063 -10.737 537 HB3 CYS 93 HB3 CYS 93 13.058 8.418 -9.616 538 H LYS 94 H LYS 94 11.640 6.884 -6.415 539 HA LYS 94 HA LYS 94 9.895 9.234 -6.398 540 HB2 LYS 94 HB2 LYS 94 10.447 7.278 -4.154 541 HB3 LYS 94 HB3 LYS 94 9.312 8.612 -4.092 542 HG2 LYS 94 HG2 LYS 94 7.834 6.955 -4.562 543 HG3 LYS 94 HG3 LYS 94 8.325 7.326 -6.218 544 HD2 LYS 94 HD2 LYS 94 9.797 5.490 -6.304 545 HD3 LYS 94 HD3 LYS 94 9.729 5.250 -4.561 546 HE2 LYS 94 HE2 LYS 94 8.428 3.538 -5.598 547 HE3 LYS 94 HE3 LYS 94 7.326 4.656 -4.802 548 HZ1 LYS 94 HZ1 LYS 94 6.885 5.681 -6.942 549 HZ2 LYS 94 HZ2 LYS 94 6.532 4.032 -6.985 550 HZ3 LYS 94 HZ3 LYS 94 7.951 4.607 -7.704 551 H CYS 95 H CYS 95 12.305 9.950 -6.983 552 HA CYS 95 HA CYS 95 13.107 11.555 -4.709 553 HB2 CYS 95 HB2 CYS 95 15.564 10.794 -5.269 554 HB3 CYS 95 HB3 CYS 95 14.564 9.882 -4.141 555 H ASP 96 H ASP 96 15.263 12.807 -5.484 556 HA ASP 96 HA ASP 96 14.521 14.097 -7.956 557 HB2 ASP 96 HB2 ASP 96 16.266 15.740 -7.380 558 HB3 ASP 96 HB3 ASP 96 15.115 15.518 -6.073 559 H ARG 97 H ARG 97 16.491 14.866 -9.272 560 HA ARG 97 HA ARG 97 17.596 12.451 -10.442 561 HB2 ARG 97 HB2 ARG 97 18.607 14.171 -12.035 562 HB3 ARG 97 HB3 ARG 97 16.861 13.906 -12.071 563 HG2 ARG 97 HG2 ARG 97 16.485 15.925 -10.872 564 HG3 ARG 97 HG3 ARG 97 18.209 16.112 -10.539 565 HD2 ARG 97 HD2 ARG 97 17.416 15.885 -13.368 566 HD3 ARG 97 HD3 ARG 97 16.943 17.363 -12.540 567 HE ARG 97 HE ARG 97 19.615 16.988 -11.947 568 HH11 ARG 97 HH11 ARG 97 17.742 17.321 -14.896 569 HH12 ARG 97 HH12 ARG 97 18.962 18.215 -15.730 570 HH21 ARG 97 HH21 ARG 97 21.261 18.193 -13.069 571 HH22 ARG 97 HH22 ARG 97 20.971 18.688 -14.703 572 H SER 98 H SER 98 18.666 13.916 -7.882 573 HA SER 98 HA SER 98 21.454 13.645 -8.714 574 HB2 SER 98 HB2 SER 98 20.201 15.813 -7.051 575 HB3 SER 98 HB3 SER 98 21.952 15.575 -7.173 576 HG SER 98 HG SER 98 20.391 16.953 -8.767 577 H CYS 99 H CYS 99 19.515 11.873 -7.393 578 HA CYS 99 HA CYS 99 20.279 11.676 -4.640 579 HB2 CYS 99 HB2 CYS 99 18.045 10.976 -5.578 580 HB3 CYS 99 HB3 CYS 99 18.858 9.624 -6.353 581 H SER 100 H SER 100 20.749 9.075 -4.140 582 HA SER 100 HA SER 100 23.500 8.777 -4.730 583 HB2 SER 100 HB2 SER 100 22.509 7.976 -2.629 584 HB3 SER 100 HB3 SER 100 21.550 6.797 -3.518 585 HG SER 100 HG SER 100 24.181 6.584 -4.132 586 H CYS 101 H CYS 101 20.644 7.671 -6.333 587 HA CYS 101 HA CYS 101 21.846 5.477 -7.706 588 HB2 CYS 101 HB2 CYS 101 19.754 5.710 -9.143 589 HB3 CYS 101 HB3 CYS 101 19.503 5.376 -7.433 590 H LYS 102 H LYS 102 21.263 8.875 -8.406 591 HA LYS 102 HA LYS 102 22.261 8.664 -11.098 592 HB2 LYS 102 HB2 LYS 102 21.479 11.023 -9.384 593 HB3 LYS 102 HB3 LYS 102 22.073 11.183 -11.028 594 HG2 LYS 102 HG2 LYS 102 19.619 9.618 -10.258 595 HG3 LYS 102 HG3 LYS 102 19.605 11.286 -10.829 596 HD2 LYS 102 HD2 LYS 102 20.919 9.134 -12.455 597 HD3 LYS 102 HD3 LYS 102 19.175 9.348 -12.507 598 HE2 LYS 102 HE2 LYS 102 20.331 10.483 -14.312 599 HE3 LYS 102 HE3 LYS 102 19.434 11.604 -13.288 600 HZ1 LYS 102 HZ1 LYS 102 21.655 12.413 -13.921 601 HZ2 LYS 102 HZ2 LYS 102 22.364 11.119 -13.100 602 HZ3 LYS 102 HZ3 LYS 102 21.478 12.279 -12.250 Start of MODEL 6 1 HA2 GLY 1 HA2 GLY 1 26.298 11.854 1.565 2 HA3 GLY 1 HA3 GLY 1 26.951 13.278 2.360 3 H SER 2 H SER 2 25.873 15.097 0.353 4 HA SER 2 HA SER 2 24.059 16.407 -0.002 5 HB2 SER 2 HB2 SER 2 22.566 13.775 0.131 6 HB3 SER 2 HB3 SER 2 21.948 15.276 -0.559 7 HG SER 2 HG SER 2 22.765 14.119 -2.250 8 H MET 3 H MET 3 24.884 16.455 2.584 9 HA MET 3 HA MET 3 22.721 16.008 4.406 10 HB2 MET 3 HB2 MET 3 24.140 17.262 6.037 11 HB3 MET 3 HB3 MET 3 24.955 15.898 5.292 12 HG2 MET 3 HG2 MET 3 26.177 17.381 3.821 13 HG3 MET 3 HG3 MET 3 25.290 18.769 4.442 14 HE1 MET 3 HE1 MET 3 25.174 18.183 7.568 15 HE2 MET 3 HE2 MET 3 25.576 19.749 6.868 16 HE3 MET 3 HE3 MET 3 26.617 19.044 8.104 17 H SER 4 H SER 4 20.906 17.133 3.936 18 HA SER 4 HA SER 4 21.006 19.993 4.316 19 HB2 SER 4 HB2 SER 4 21.378 19.703 1.868 20 HB3 SER 4 HB3 SER 4 19.842 18.843 1.764 21 HG SER 4 HG SER 4 20.190 21.525 2.645 22 H SER 5 H SER 5 19.323 20.622 5.461 23 HA SER 5 HA SER 5 17.173 18.753 5.988 24 HB2 SER 5 HB2 SER 5 17.630 21.500 7.168 25 HB3 SER 5 HB3 SER 5 16.628 20.206 7.825 26 HG SER 5 HG SER 5 19.405 20.504 7.818 27 H VAL 6 H VAL 6 15.360 18.830 4.831 28 HA VAL 6 HA VAL 6 14.898 20.760 2.848 29 HB VAL 6 HB VAL 6 14.037 18.423 2.772 30 HG11 VAL 6 HG11 VAL 6 13.214 18.208 5.044 31 HG12 VAL 6 HG12 VAL 6 11.929 17.870 3.881 32 HG13 VAL 6 HG13 VAL 6 11.972 19.420 4.721 33 HG21 VAL 6 HG21 VAL 6 11.878 18.974 1.718 34 HG22 VAL 6 HG22 VAL 6 13.183 20.051 1.221 35 HG23 VAL 6 HG23 VAL 6 11.990 20.598 2.399 36 H PHE 7 H PHE 7 13.686 20.519 6.140 37 HA PHE 7 HA PHE 7 11.751 22.610 5.795 38 HB2 PHE 7 HB2 PHE 7 11.433 22.432 8.241 39 HB3 PHE 7 HB3 PHE 7 11.318 20.870 7.439 40 HD1 PHE 7 HD1 PHE 7 13.191 22.905 9.805 41 HD2 PHE 7 HD2 PHE 7 13.103 19.201 7.708 42 HE1 PHE 7 HE1 PHE 7 14.888 22.002 11.336 43 HE2 PHE 7 HE2 PHE 7 14.801 18.291 9.237 44 HZ PHE 7 HZ PHE 7 15.696 19.692 11.054 45 H GLY 8 H GLY 8 11.828 24.684 6.615 46 HA2 GLY 8 HA2 GLY 8 14.468 25.852 6.704 47 HA3 GLY 8 HA3 GLY 8 12.936 26.713 6.753 48 H ALA 9 H ALA 9 12.361 27.600 8.610 49 HA ALA 9 HA ALA 9 13.440 26.505 11.110 50 HB1 ALA 9 HB1 ALA 9 14.939 28.303 10.418 51 HB2 ALA 9 HB2 ALA 9 14.045 28.747 11.874 52 HB3 ALA 9 HB3 ALA 9 13.569 29.407 10.308 53 H GLY 10 H GLY 10 10.805 26.615 9.716 54 HA2 GLY 10 HA2 GLY 10 9.035 26.732 11.739 55 HA3 GLY 10 HA3 GLY 10 9.199 28.429 11.306 56 H CYS 11 H CYS 11 8.832 25.324 9.612 57 HA CYS 11 HA CYS 11 7.184 26.607 7.606 58 HB2 CYS 11 HB2 CYS 11 8.001 23.726 7.923 59 HB3 CYS 11 HB3 CYS 11 7.181 24.413 6.525 60 H THR 12 H THR 12 5.168 25.515 6.929 61 HA THR 12 HA THR 12 3.527 24.932 9.253 62 HB THR 12 HB THR 12 1.652 25.106 7.622 63 HG1 THR 12 HG1 THR 12 2.283 25.958 5.497 64 HG21 THR 12 HG21 THR 12 2.486 27.101 8.828 65 HG22 THR 12 HG22 THR 12 1.813 27.496 7.247 66 HG23 THR 12 HG23 THR 12 3.563 27.440 7.472 67 H ASP 13 H ASP 13 1.870 23.122 8.853 68 HA ASP 13 HA ASP 13 3.320 20.766 8.134 69 HB2 ASP 13 HB2 ASP 13 0.491 21.225 9.050 70 HB3 ASP 13 HB3 ASP 13 1.059 19.632 8.557 71 H VAL 14 H VAL 14 1.487 23.007 6.483 72 HA VAL 14 HA VAL 14 0.453 21.420 4.380 73 HB VAL 14 HB VAL 14 1.263 24.339 4.336 74 HG11 VAL 14 HG11 VAL 14 0.945 23.393 2.106 75 HG12 VAL 14 HG12 VAL 14 -0.321 24.555 2.501 76 HG13 VAL 14 HG13 VAL 14 -0.658 22.825 2.577 77 HG21 VAL 14 HG21 VAL 14 -1.097 24.804 4.816 78 HG22 VAL 14 HG22 VAL 14 -0.313 23.923 6.126 79 HG23 VAL 14 HG23 VAL 14 -1.387 23.077 5.011 80 H CYS 15 H CYS 15 3.522 22.937 5.064 81 HA CYS 15 HA CYS 15 4.643 22.609 2.471 82 HB2 CYS 15 HB2 CYS 15 5.401 24.280 4.167 83 HB3 CYS 15 HB3 CYS 15 6.029 22.956 5.139 84 H LYS 16 H LYS 16 4.221 20.609 5.258 85 HA LYS 16 HA LYS 16 6.241 18.683 4.468 86 HB2 LYS 16 HB2 LYS 16 4.185 18.325 6.648 87 HB3 LYS 16 HB3 LYS 16 5.744 17.531 6.489 88 HG2 LYS 16 HG2 LYS 16 5.302 20.448 7.104 89 HG3 LYS 16 HG3 LYS 16 5.757 19.202 8.263 90 HD2 LYS 16 HD2 LYS 16 7.895 18.920 7.242 91 HD3 LYS 16 HD3 LYS 16 7.424 19.888 5.842 92 HE2 LYS 16 HE2 LYS 16 8.800 21.241 7.245 93 HE3 LYS 16 HE3 LYS 16 7.130 21.814 7.345 94 HZ1 LYS 16 HZ1 LYS 16 8.191 21.708 9.542 95 HZ2 LYS 16 HZ2 LYS 16 8.465 20.061 9.343 96 HZ3 LYS 16 HZ3 LYS 16 6.883 20.642 9.449 97 H GLN 17 H GLN 17 3.442 19.397 3.165 98 HA GLN 17 HA GLN 17 2.095 16.864 3.061 99 HB2 GLN 17 HB2 GLN 17 1.808 19.393 1.446 100 HB3 GLN 17 HB3 GLN 17 0.933 17.936 1.012 101 HG2 GLN 17 HG2 GLN 17 -0.120 17.939 3.242 102 HG3 GLN 17 HG3 GLN 17 0.718 19.444 3.611 103 HE21 GLN 17 HE21 GLN 17 -1.223 20.554 3.893 104 HE22 GLN 17 HE22 GLN 17 -2.236 21.007 2.570 105 H THR 18 H THR 18 1.566 16.138 0.628 106 HA THR 18 HA THR 18 3.940 16.022 -1.017 107 HB THR 18 HB THR 18 2.795 13.448 0.111 108 HG1 THR 18 HG1 THR 18 4.645 15.139 1.102 109 HG21 THR 18 HG21 THR 18 3.642 13.228 -2.183 110 HG22 THR 18 HG22 THR 18 4.696 12.392 -1.043 111 HG23 THR 18 HG23 THR 18 5.170 13.962 -1.694 112 HA PRO 19 HA PRO 19 4.250 16.597 -2.879 113 HB2 PRO 19 HB2 PRO 19 3.389 18.534 -4.564 114 HB3 PRO 19 HB3 PRO 19 3.755 16.893 -5.112 115 HG2 PRO 19 HG2 PRO 19 1.104 18.121 -4.464 116 HG3 PRO 19 HG3 PRO 19 1.554 17.098 -5.841 117 HD2 PRO 19 HD2 PRO 19 0.252 16.126 -3.681 118 HD3 PRO 19 HD3 PRO 19 1.420 15.156 -4.600 119 H CYS 20 H CYS 20 4.920 18.907 -2.594 120 HA CYS 20 HA CYS 20 4.225 19.915 -0.138 121 HB2 CYS 20 HB2 CYS 20 6.245 20.504 -1.324 122 HB3 CYS 20 HB3 CYS 20 5.317 21.392 -2.525 123 H GLY 21 H GLY 21 2.565 20.940 0.633 124 HA2 GLY 21 HA2 GLY 21 0.379 21.553 -1.092 125 HA3 GLY 21 HA3 GLY 21 0.427 21.721 0.655 126 H CYS 22 H CYS 22 3.035 23.362 0.125 127 HA CYS 22 HA CYS 22 1.876 25.894 0.423 128 HB2 CYS 22 HB2 CYS 22 4.641 25.095 -0.452 129 HB3 CYS 22 HB3 CYS 22 4.174 26.765 -0.167 130 H ALA 23 H ALA 23 2.605 24.102 -2.436 131 HA ALA 23 HA ALA 23 2.558 26.450 -4.112 132 HB1 ALA 23 HB1 ALA 23 4.137 24.654 -4.580 133 HB2 ALA 23 HB2 ALA 23 3.047 24.929 -5.942 134 HB3 ALA 23 HB3 ALA 23 2.792 23.553 -4.867 135 H THR 24 H THR 24 0.179 24.554 -2.785 136 HA THR 24 HA THR 24 -1.655 25.454 -4.887 137 HB THR 24 HB THR 24 -1.287 23.067 -5.296 138 HG1 THR 24 HG1 THR 24 -3.865 23.466 -4.138 139 HG21 THR 24 HG21 THR 24 -0.688 22.359 -3.032 140 HG22 THR 24 HG22 THR 24 -2.017 21.380 -3.655 141 HG23 THR 24 HG23 THR 24 -2.338 22.663 -2.488 142 H SER 25 H SER 25 -1.048 24.900 -1.542 143 HA SER 25 HA SER 25 -3.758 25.797 -0.875 144 HB2 SER 25 HB2 SER 25 -1.760 24.403 0.912 145 HB3 SER 25 HB3 SER 25 -3.449 24.753 1.287 146 HG SER 25 HG SER 25 -4.033 23.058 0.185 147 H GLY 26 H GLY 26 -0.515 26.795 -0.973 148 HA2 GLY 26 HA2 GLY 26 -0.317 29.239 -0.675 149 HA3 GLY 26 HA3 GLY 26 -1.147 29.017 0.857 150 H CYS 27 H CYS 27 1.648 29.849 -0.252 151 HA CYS 27 HA CYS 27 3.408 28.141 1.307 152 HB2 CYS 27 HB2 CYS 27 3.995 29.093 -0.972 153 HB3 CYS 27 HB3 CYS 27 4.048 30.681 -0.222 154 H ASN 28 H ASN 28 3.631 28.531 3.461 155 HA ASN 28 HA ASN 28 3.432 31.322 4.385 156 HB2 ASN 28 HB2 ASN 28 1.237 29.975 4.559 157 HB3 ASN 28 HB3 ASN 28 2.033 29.101 5.859 158 HD21 ASN 28 HD21 ASN 28 2.275 30.083 7.834 159 HD22 ASN 28 HD22 ASN 28 1.567 31.606 8.228 160 H CYS 29 H CYS 29 5.606 29.117 4.163 161 HA CYS 29 HA CYS 29 6.361 28.856 6.960 162 HB2 CYS 29 HB2 CYS 29 8.310 27.588 5.933 163 HB3 CYS 29 HB3 CYS 29 6.706 26.878 5.705 164 H THR 30 H THR 30 9.034 28.985 6.943 165 HA THR 30 HA THR 30 9.531 31.810 6.644 166 HB THR 30 HB THR 30 11.849 30.979 7.581 167 HG1 THR 30 HG1 THR 30 10.420 28.979 8.829 168 HG21 THR 30 HG21 THR 30 10.211 32.350 8.800 169 HG22 THR 30 HG22 THR 30 10.972 31.151 9.845 170 HG23 THR 30 HG23 THR 30 9.332 30.887 9.248 171 H ASP 31 H ASP 31 11.387 32.638 5.501 172 HA ASP 31 HA ASP 31 11.680 31.509 2.922 173 HB2 ASP 31 HB2 ASP 31 11.884 33.930 3.361 174 HB3 ASP 31 HB3 ASP 31 13.374 33.633 4.251 175 H ASP 32 H ASP 32 13.331 31.041 5.880 176 HA ASP 32 HA ASP 32 15.830 30.099 4.991 177 HB2 ASP 32 HB2 ASP 32 14.246 29.357 7.459 178 HB3 ASP 32 HB3 ASP 32 15.912 28.870 7.176 179 H CYS 33 H CYS 33 12.723 28.768 4.705 180 HA CYS 33 HA CYS 33 12.991 26.058 4.767 181 HB2 CYS 33 HB2 CYS 33 10.889 27.225 4.337 182 HB3 CYS 33 HB3 CYS 33 11.503 27.771 2.784 183 H LYS 34 H LYS 34 14.035 24.530 3.610 184 HA LYS 34 HA LYS 34 15.641 25.391 1.293 185 HB2 LYS 34 HB2 LYS 34 15.974 23.122 3.248 186 HB3 LYS 34 HB3 LYS 34 16.949 23.288 1.796 187 HG2 LYS 34 HG2 LYS 34 16.825 25.548 3.732 188 HG3 LYS 34 HG3 LYS 34 17.805 24.135 4.118 189 HD2 LYS 34 HD2 LYS 34 19.234 25.741 3.044 190 HD3 LYS 34 HD3 LYS 34 18.958 24.426 1.905 191 HE2 LYS 34 HE2 LYS 34 17.407 25.732 0.656 192 HE3 LYS 34 HE3 LYS 34 17.365 26.986 1.896 193 HZ1 LYS 34 HZ1 LYS 34 19.740 26.270 0.267 194 HZ2 LYS 34 HZ2 LYS 34 19.638 27.537 1.384 195 HZ3 LYS 34 HZ3 LYS 34 18.723 27.584 -0.032 196 H CYS 35 H CYS 35 12.777 24.431 1.434 197 HA CYS 35 HA CYS 35 12.843 21.829 0.276 198 HB2 CYS 35 HB2 CYS 35 11.023 22.505 1.733 199 HB3 CYS 35 HB3 CYS 35 10.568 23.770 0.599 200 H GLN 36 H GLN 36 12.640 21.238 -1.788 201 HA GLN 36 HA GLN 36 13.071 23.244 -3.861 202 HB2 GLN 36 HB2 GLN 36 12.607 20.377 -4.516 203 HB3 GLN 36 HB3 GLN 36 13.752 21.508 -5.213 204 HG2 GLN 36 HG2 GLN 36 15.337 21.091 -3.616 205 HG3 GLN 36 HG3 GLN 36 14.157 20.545 -2.425 206 HE21 GLN 36 HE21 GLN 36 16.071 19.663 -5.176 207 HE22 GLN 36 HE22 GLN 36 15.775 17.955 -5.081 208 H SER 37 H SER 37 10.493 21.768 -2.374 209 HA SER 37 HA SER 37 8.956 21.303 -4.761 210 HB2 SER 37 HB2 SER 37 9.034 19.855 -2.615 211 HB3 SER 37 HB3 SER 37 7.863 21.020 -2.004 212 HG SER 37 HG SER 37 6.798 20.524 -4.186 213 H CYS 38 H CYS 38 8.904 23.644 -2.051 214 HA CYS 38 HA CYS 38 6.652 24.893 -3.403 215 HB2 CYS 38 HB2 CYS 38 6.446 26.373 -1.489 216 HB3 CYS 38 HB3 CYS 38 6.530 24.702 -0.950 217 H LYS 39 H LYS 39 10.040 25.180 -3.092 218 HA LYS 39 HA LYS 39 10.138 27.874 -4.133 219 HB2 LYS 39 HB2 LYS 39 12.187 25.858 -3.295 220 HB3 LYS 39 HB3 LYS 39 12.677 27.121 -4.410 221 HG2 LYS 39 HG2 LYS 39 13.251 27.956 -2.314 222 HG3 LYS 39 HG3 LYS 39 11.728 28.764 -2.681 223 HD2 LYS 39 HD2 LYS 39 10.581 27.003 -1.310 224 HD3 LYS 39 HD3 LYS 39 12.179 26.418 -0.840 225 HE2 LYS 39 HE2 LYS 39 11.042 29.163 -0.331 226 HE3 LYS 39 HE3 LYS 39 11.298 27.894 0.860 227 HZ1 LYS 39 HZ1 LYS 39 13.457 29.206 -0.705 228 HZ2 LYS 39 HZ2 LYS 39 13.663 28.074 0.536 229 HZ3 LYS 39 HZ3 LYS 39 13.039 29.603 0.882 230 H TYR 40 H TYR 40 8.621 26.311 -5.789 231 HA TYR 40 HA TYR 40 10.009 25.117 -7.915 232 HB2 TYR 40 HB2 TYR 40 7.234 26.203 -7.617 233 HB3 TYR 40 HB3 TYR 40 7.819 25.772 -9.216 234 HD1 TYR 40 HD1 TYR 40 5.560 24.565 -7.303 235 HD2 TYR 40 HD2 TYR 40 9.482 23.359 -8.443 236 HE1 TYR 40 HE1 TYR 40 4.958 22.211 -6.893 237 HE2 TYR 40 HE2 TYR 40 8.892 21.017 -8.031 238 HH TYR 40 HH TYR 40 7.331 19.688 -6.868 239 H GLY 41 H GLY 41 10.833 25.854 -9.768 240 HA2 GLY 41 HA2 GLY 41 10.912 27.731 -11.400 241 HA3 GLY 41 HA3 GLY 41 11.052 28.785 -9.992 242 H ALA 42 H ALA 42 12.699 26.953 -8.512 243 HA ALA 42 HA ALA 42 15.255 27.562 -9.737 244 HB1 ALA 42 HB1 ALA 42 14.633 26.229 -7.099 245 HB2 ALA 42 HB2 ALA 42 14.882 27.957 -7.331 246 HB3 ALA 42 HB3 ALA 42 16.207 26.829 -7.621 247 H GLY 43 H GLY 43 13.055 25.055 -9.733 248 HA2 GLY 43 HA2 GLY 43 15.112 23.205 -10.709 249 HA3 GLY 43 HA3 GLY 43 13.897 22.679 -9.567 250 H CYS 44 H CYS 44 12.426 24.866 -11.583 251 HA CYS 44 HA CYS 44 11.443 22.667 -13.274 252 HB2 CYS 44 HB2 CYS 44 9.897 24.590 -11.605 253 HB3 CYS 44 HB3 CYS 44 9.171 23.935 -13.064 254 H THR 45 H THR 45 9.576 23.895 -14.744 255 HA THR 45 HA THR 45 10.577 26.260 -15.984 256 HB THR 45 HB THR 45 11.923 24.488 -17.110 257 HG1 THR 45 HG1 THR 45 11.642 25.706 -18.790 258 HG21 THR 45 HG21 THR 45 10.421 22.594 -16.771 259 HG22 THR 45 HG22 THR 45 10.795 22.786 -18.484 260 HG23 THR 45 HG23 THR 45 9.237 23.323 -17.854 261 H ASP 46 H ASP 46 8.986 26.564 -17.970 262 HA ASP 46 HA ASP 46 6.360 26.310 -16.791 263 HB2 ASP 46 HB2 ASP 46 7.424 27.780 -19.159 264 HB3 ASP 46 HB3 ASP 46 5.689 27.532 -18.989 265 H THR 47 H THR 47 8.199 24.485 -18.857 266 HA THR 47 HA THR 47 6.102 23.362 -20.434 267 HB THR 47 HB THR 47 8.761 22.046 -19.936 268 HG1 THR 47 HG1 THR 47 9.463 23.487 -21.746 269 HG21 THR 47 HG21 THR 47 7.136 20.934 -21.403 270 HG22 THR 47 HG22 THR 47 8.545 21.476 -22.315 271 HG23 THR 47 HG23 THR 47 7.036 22.386 -22.397 272 H CYS 48 H CYS 48 7.477 22.799 -17.312 273 HA CYS 48 HA CYS 48 6.566 20.058 -17.092 274 HB2 CYS 48 HB2 CYS 48 8.666 20.694 -16.007 275 HB3 CYS 48 HB3 CYS 48 7.826 21.899 -15.042 276 H LYS 49 H LYS 49 5.473 23.246 -16.104 277 HA LYS 49 HA LYS 49 3.494 22.162 -14.311 278 HB2 LYS 49 HB2 LYS 49 2.811 24.576 -14.111 279 HB3 LYS 49 HB3 LYS 49 4.461 24.200 -13.629 280 HG2 LYS 49 HG2 LYS 49 5.304 25.042 -15.718 281 HG3 LYS 49 HG3 LYS 49 3.664 25.337 -16.294 282 HD2 LYS 49 HD2 LYS 49 4.636 27.374 -15.568 283 HD3 LYS 49 HD3 LYS 49 3.357 26.935 -14.423 284 HE2 LYS 49 HE2 LYS 49 5.164 27.698 -13.113 285 HE3 LYS 49 HE3 LYS 49 5.254 25.941 -13.027 286 HZ1 LYS 49 HZ1 LYS 49 6.849 27.621 -14.891 287 HZ2 LYS 49 HZ2 LYS 49 6.999 25.948 -14.668 288 HZ3 LYS 49 HZ3 LYS 49 7.419 27.006 -13.421 289 H GLN 50 H GLN 50 3.494 21.719 -17.350 290 HA GLN 50 HA GLN 50 0.936 22.859 -18.107 291 HB2 GLN 50 HB2 GLN 50 2.592 20.861 -19.630 292 HB3 GLN 50 HB3 GLN 50 1.303 21.882 -20.254 293 HG2 GLN 50 HG2 GLN 50 2.757 23.842 -19.543 294 HG3 GLN 50 HG3 GLN 50 4.054 22.658 -19.395 295 HE21 GLN 50 HE21 GLN 50 3.967 24.833 -21.129 296 HE22 GLN 50 HE22 GLN 50 3.974 24.234 -22.748 297 H THR 51 H THR 51 -0.248 20.868 -19.538 298 HA THR 51 HA THR 51 -0.594 18.590 -17.743 299 HB THR 51 HB THR 51 -2.933 20.170 -18.856 300 HG1 THR 51 HG1 THR 51 -1.688 21.177 -17.087 301 HG21 THR 51 HG21 THR 51 -2.822 17.879 -16.882 302 HG22 THR 51 HG22 THR 51 -3.382 17.772 -18.551 303 HG23 THR 51 HG23 THR 51 -4.278 18.741 -17.380 304 HA PRO 52 HA PRO 52 -0.991 16.590 -17.730 305 HB2 PRO 52 HB2 PRO 52 0.578 14.479 -18.454 306 HB3 PRO 52 HB3 PRO 52 -1.184 14.469 -18.609 307 HG2 PRO 52 HG2 PRO 52 0.896 15.002 -20.695 308 HG3 PRO 52 HG3 PRO 52 -0.581 14.031 -20.813 309 HD2 PRO 52 HD2 PRO 52 -0.425 16.543 -21.788 310 HD3 PRO 52 HD3 PRO 52 -1.924 15.881 -21.107 311 H CYS 53 H CYS 53 1.629 16.905 -20.085 312 HA CYS 53 HA CYS 53 3.205 18.548 -18.454 313 HB2 CYS 53 HB2 CYS 53 3.387 16.173 -17.403 314 HB3 CYS 53 HB3 CYS 53 4.425 15.838 -18.783 315 H GLY 54 H GLY 54 4.351 19.714 -19.901 316 HA2 GLY 54 HA2 GLY 54 4.519 18.859 -22.629 317 HA3 GLY 54 HA3 GLY 54 5.184 20.338 -21.946 318 H CYS 55 H CYS 55 6.618 18.768 -19.852 319 HA CYS 55 HA CYS 55 9.060 18.485 -21.247 320 HB2 CYS 55 HB2 CYS 55 8.255 17.815 -18.429 321 HB3 CYS 55 HB3 CYS 55 9.903 17.684 -19.036 322 H GLY 56 H GLY 56 6.474 16.396 -20.895 323 HA2 GLY 56 HA2 GLY 56 7.756 13.899 -20.642 324 HA3 GLY 56 HA3 GLY 56 6.181 14.171 -21.377 325 H SER 57 H SER 57 7.464 16.103 -23.289 326 HA SER 57 HA SER 57 8.856 14.158 -24.987 327 HB2 SER 57 HB2 SER 57 7.714 15.340 -26.926 328 HB3 SER 57 HB3 SER 57 6.675 14.341 -25.909 329 HG SER 57 HG SER 57 5.675 16.070 -25.193 330 H GLY 58 H GLY 58 9.184 16.964 -23.325 331 HA2 GLY 58 HA2 GLY 58 11.599 17.694 -24.643 332 HA3 GLY 58 HA3 GLY 58 10.314 18.826 -25.035 333 H CYS 59 H CYS 59 12.056 17.354 -22.344 334 HA CYS 59 HA CYS 59 11.066 19.124 -20.361 335 HB2 CYS 59 HB2 CYS 59 11.913 16.986 -19.705 336 HB3 CYS 59 HB3 CYS 59 13.488 17.325 -20.415 337 H ASN 60 H ASN 60 12.062 20.848 -19.315 338 HA ASN 60 HA ASN 60 14.495 21.992 -20.430 339 HB2 ASN 60 HB2 ASN 60 12.520 22.770 -21.844 340 HB3 ASN 60 HB3 ASN 60 11.940 23.619 -20.418 341 HD21 ASN 60 HD21 ASN 60 14.433 23.457 -22.840 342 HD22 ASN 60 HD22 ASN 60 15.036 25.061 -22.607 343 H CYS 61 H CYS 61 13.425 20.925 -17.821 344 HA CYS 61 HA CYS 61 13.021 23.135 -16.082 345 HB2 CYS 61 HB2 CYS 61 13.552 20.219 -15.599 346 HB3 CYS 61 HB3 CYS 61 13.469 21.367 -14.266 347 H LYS 62 H LYS 62 14.497 22.963 -13.910 348 HA LYS 62 HA LYS 62 17.022 24.080 -14.835 349 HB2 LYS 62 HB2 LYS 62 15.643 24.144 -12.164 350 HB3 LYS 62 HB3 LYS 62 17.189 24.906 -12.466 351 HG2 LYS 62 HG2 LYS 62 14.798 25.567 -14.126 352 HG3 LYS 62 HG3 LYS 62 15.031 26.311 -12.544 353 HD2 LYS 62 HD2 LYS 62 17.149 26.349 -14.694 354 HD3 LYS 62 HD3 LYS 62 15.908 27.596 -14.568 355 HE2 LYS 62 HE2 LYS 62 16.664 27.939 -12.186 356 HE3 LYS 62 HE3 LYS 62 18.030 26.887 -12.552 357 HZ1 LYS 62 HZ1 LYS 62 18.650 29.179 -12.824 358 HZ2 LYS 62 HZ2 LYS 62 17.376 29.447 -13.895 359 HZ3 LYS 62 HZ3 LYS 62 18.647 28.422 -14.338 360 H GLU 63 H GLU 63 16.387 22.302 -11.806 361 HA GLU 63 HA GLU 63 18.274 20.220 -12.376 362 HB2 GLU 63 HB2 GLU 63 19.755 22.231 -11.927 363 HB3 GLU 63 HB3 GLU 63 19.084 22.292 -10.310 364 HG2 GLU 63 HG2 GLU 63 21.057 21.187 -9.933 365 HG3 GLU 63 HG3 GLU 63 19.954 19.833 -10.163 366 H ASP 64 H ASP 64 16.376 22.011 -10.009 367 HA ASP 64 HA ASP 64 16.260 19.705 -8.237 368 HB2 ASP 64 HB2 ASP 64 15.703 22.622 -7.974 369 HB3 ASP 64 HB3 ASP 64 14.964 21.504 -6.848 370 H CYS 65 H CYS 65 14.825 19.217 -10.560 371 HA CYS 65 HA CYS 65 12.044 19.914 -10.081 372 HB2 CYS 65 HB2 CYS 65 12.738 19.739 -12.387 373 HB3 CYS 65 HB3 CYS 65 13.289 18.084 -12.138 374 H ARG 66 H ARG 66 10.524 18.728 -9.089 375 HA ARG 66 HA ARG 66 11.348 16.175 -7.915 376 HB2 ARG 66 HB2 ARG 66 9.031 17.961 -7.230 377 HB3 ARG 66 HB3 ARG 66 9.373 16.426 -6.451 378 HG2 ARG 66 HG2 ARG 66 11.646 17.460 -5.884 379 HG3 ARG 66 HG3 ARG 66 10.877 18.998 -6.290 380 HD2 ARG 66 HD2 ARG 66 10.577 18.743 -3.975 381 HD3 ARG 66 HD3 ARG 66 9.026 18.324 -4.702 382 HE ARG 66 HE ARG 66 10.812 16.096 -4.205 383 HH11 ARG 66 HH11 ARG 66 8.141 18.035 -2.981 384 HH12 ARG 66 HH12 ARG 66 7.663 16.862 -1.806 385 HH21 ARG 66 HH21 ARG 66 10.173 14.531 -2.654 386 HH22 ARG 66 HH22 ARG 66 8.828 14.847 -1.624 387 H CYS 67 H CYS 67 10.022 16.932 -10.691 388 HA CYS 67 HA CYS 67 7.680 15.235 -10.499 389 HB2 CYS 67 HB2 CYS 67 7.685 17.366 -11.818 390 HB3 CYS 67 HB3 CYS 67 8.781 16.585 -12.948 391 H GLN 68 H GLN 68 7.515 13.214 -11.286 392 HA GLN 68 HA GLN 68 10.002 11.991 -12.212 393 HB2 GLN 68 HB2 GLN 68 8.931 9.842 -11.732 394 HB3 GLN 68 HB3 GLN 68 8.897 10.896 -10.328 395 HG2 GLN 68 HG2 GLN 68 6.514 11.117 -11.994 396 HG3 GLN 68 HG3 GLN 68 6.772 9.499 -11.353 397 HE21 GLN 68 HE21 GLN 68 7.853 12.350 -9.646 398 HE22 GLN 68 HE22 GLN 68 6.696 12.258 -8.374 399 H SER 69 H SER 69 7.496 13.482 -13.623 400 HA SER 69 HA SER 69 6.726 11.560 -15.583 401 HB2 SER 69 HB2 SER 69 6.326 14.555 -15.598 402 HB3 SER 69 HB3 SER 69 5.421 13.355 -16.520 403 HG SER 69 HG SER 69 5.115 14.176 -13.925 404 H CYS 70 H CYS 70 9.045 14.162 -15.285 405 HA CYS 70 HA CYS 70 9.905 13.539 -17.993 406 HB2 CYS 70 HB2 CYS 70 10.694 15.905 -18.136 407 HB3 CYS 70 HB3 CYS 70 8.956 15.686 -17.987 408 H SER 71 H SER 71 10.897 13.751 -14.688 409 HA SER 71 HA SER 71 13.649 14.088 -14.998 410 HB2 SER 71 HB2 SER 71 12.073 12.535 -12.954 411 HB3 SER 71 HB3 SER 71 13.831 12.660 -12.887 412 HG SER 71 HG SER 71 11.873 14.610 -12.467 413 H THR 72 H THR 72 15.383 12.591 -15.080 414 HA THR 72 HA THR 72 15.054 10.671 -17.098 415 HB THR 72 HB THR 72 17.190 11.964 -16.506 416 HG1 THR 72 HG1 THR 72 16.974 10.113 -18.010 417 HG21 THR 72 HG21 THR 72 17.502 9.641 -14.590 418 HG22 THR 72 HG22 THR 72 17.310 11.334 -14.132 419 HG23 THR 72 HG23 THR 72 18.755 10.812 -14.999 420 H ALA 73 H ALA 73 15.585 8.430 -17.059 421 HA ALA 73 HA ALA 73 13.940 6.953 -15.406 422 HB1 ALA 73 HB1 ALA 73 14.981 4.984 -16.357 423 HB2 ALA 73 HB2 ALA 73 16.341 5.951 -16.930 424 HB3 ALA 73 HB3 ALA 73 14.732 6.204 -17.607 425 H CYS 74 H CYS 74 14.087 6.451 -13.412 426 HA CYS 74 HA CYS 74 16.357 6.846 -11.778 427 HB2 CYS 74 HB2 CYS 74 13.743 6.671 -11.261 428 HB3 CYS 74 HB3 CYS 74 14.180 5.003 -10.918 429 H LYS 75 H LYS 75 17.778 5.381 -10.863 430 HA LYS 75 HA LYS 75 18.199 2.970 -12.400 431 HB2 LYS 75 HB2 LYS 75 19.741 4.343 -10.235 432 HB3 LYS 75 HB3 LYS 75 20.130 2.692 -10.691 433 HG2 LYS 75 HG2 LYS 75 20.098 5.037 -12.578 434 HG3 LYS 75 HG3 LYS 75 21.535 4.367 -11.806 435 HD2 LYS 75 HD2 LYS 75 20.986 2.167 -12.881 436 HD3 LYS 75 HD3 LYS 75 19.715 2.993 -13.783 437 HE2 LYS 75 HE2 LYS 75 21.731 2.843 -15.137 438 HE3 LYS 75 HE3 LYS 75 21.385 4.524 -14.725 439 HZ1 LYS 75 HZ1 LYS 75 23.358 2.791 -13.340 440 HZ2 LYS 75 HZ2 LYS 75 23.046 4.409 -12.977 441 HZ3 LYS 75 HZ3 LYS 75 23.736 3.996 -14.462 442 H CYS 76 H CYS 76 16.551 3.803 -9.586 443 HA CYS 76 HA CYS 76 16.836 1.400 -8.173 444 HB2 CYS 76 HB2 CYS 76 14.576 3.409 -8.160 445 HB3 CYS 76 HB3 CYS 76 14.766 2.105 -6.993 446 H ALA 77 H ALA 77 15.750 -0.480 -8.276 447 HA ALA 77 HA ALA 77 13.354 -0.980 -9.666 448 HB1 ALA 77 HB1 ALA 77 14.232 -2.210 -11.593 449 HB2 ALA 77 HB2 ALA 77 15.873 -1.764 -11.126 450 HB3 ALA 77 HB3 ALA 77 14.738 -0.519 -11.648 451 H ALA 78 H ALA 78 12.785 -3.209 -9.566 452 HA ALA 78 HA ALA 78 12.643 -5.217 -8.512 453 HB1 ALA 78 HB1 ALA 78 14.364 -5.731 -10.167 454 HB2 ALA 78 HB2 ALA 78 14.612 -6.650 -8.681 455 HB3 ALA 78 HB3 ALA 78 15.614 -5.239 -9.024 456 H GLY 79 H GLY 79 12.704 -3.134 -6.725 457 HA2 GLY 79 HA2 GLY 79 12.852 -2.809 -4.449 458 HA3 GLY 79 HA3 GLY 79 13.425 -4.464 -4.329 459 H SER 80 H SER 80 14.882 -1.716 -6.038 460 HA SER 80 HA SER 80 17.157 -1.924 -4.194 461 HB2 SER 80 HB2 SER 80 17.448 -2.963 -6.548 462 HB3 SER 80 HB3 SER 80 17.510 -1.294 -7.094 463 HG SER 80 HG SER 80 19.124 -1.489 -5.004 464 H CYS 81 H CYS 81 15.627 -0.096 -3.391 465 HA CYS 81 HA CYS 81 16.200 2.448 -4.678 466 HB2 CYS 81 HB2 CYS 81 13.981 2.183 -3.771 467 HB3 CYS 81 HB3 CYS 81 14.626 1.738 -2.196 468 H LYS 82 H LYS 82 17.376 4.131 -3.604 469 HA LYS 82 HA LYS 82 19.195 3.118 -1.507 470 HB2 LYS 82 HB2 LYS 82 19.949 5.294 -3.421 471 HB3 LYS 82 HB3 LYS 82 20.995 4.259 -2.456 472 HG2 LYS 82 HG2 LYS 82 20.153 2.340 -3.843 473 HG3 LYS 82 HG3 LYS 82 19.433 3.559 -4.898 474 HD2 LYS 82 HD2 LYS 82 21.664 4.565 -5.186 475 HD3 LYS 82 HD3 LYS 82 22.346 3.257 -4.215 476 HE2 LYS 82 HE2 LYS 82 20.861 2.946 -6.823 477 HE3 LYS 82 HE3 LYS 82 22.605 2.809 -6.601 478 HZ1 LYS 82 HZ1 LYS 82 22.266 0.895 -5.205 479 HZ2 LYS 82 HZ2 LYS 82 21.484 0.644 -6.680 480 HZ3 LYS 82 HZ3 LYS 82 20.588 1.049 -5.311 481 H CYS 83 H CYS 83 16.752 5.174 -2.105 482 HA CYS 83 HA CYS 83 17.725 7.313 -0.391 483 HB2 CYS 83 HB2 CYS 83 16.537 8.052 -2.330 484 HB3 CYS 83 HB3 CYS 83 15.186 6.976 -1.986 485 H GLY 84 H GLY 84 15.237 4.801 -0.465 486 HA2 GLY 84 HA2 GLY 84 14.813 3.682 1.695 487 HA3 GLY 84 HA3 GLY 84 14.807 5.284 2.419 488 H LYS 85 H LYS 85 13.384 5.947 -0.316 489 HA LYS 85 HA LYS 85 10.749 5.918 0.785 490 HB2 LYS 85 HB2 LYS 85 11.652 6.564 -2.027 491 HB3 LYS 85 HB3 LYS 85 10.066 6.911 -1.360 492 HG2 LYS 85 HG2 LYS 85 12.672 8.082 -0.402 493 HG3 LYS 85 HG3 LYS 85 11.485 8.890 -1.426 494 HD2 LYS 85 HD2 LYS 85 10.954 7.890 1.382 495 HD3 LYS 85 HD3 LYS 85 11.337 9.560 0.967 496 HE2 LYS 85 HE2 LYS 85 9.329 9.666 -0.442 497 HE3 LYS 85 HE3 LYS 85 8.946 8.000 -0.017 498 HZ1 LYS 85 HZ1 LYS 85 9.103 10.273 1.885 499 HZ2 LYS 85 HZ2 LYS 85 8.733 8.677 2.289 500 HZ3 LYS 85 HZ3 LYS 85 7.683 9.563 1.310 501 H GLY 86 H GLY 86 12.545 3.902 -1.399 502 HA2 GLY 86 HA2 GLY 86 12.089 1.781 -2.159 503 HA3 GLY 86 HA3 GLY 86 10.642 1.794 -1.160 504 H CYS 87 H CYS 87 11.616 3.896 -3.830 505 HA CYS 87 HA CYS 87 8.986 3.712 -4.985 506 HB2 CYS 87 HB2 CYS 87 9.985 5.163 -6.753 507 HB3 CYS 87 HB3 CYS 87 10.156 5.800 -5.119 508 H THR 88 H THR 88 12.164 2.438 -5.635 509 HA THR 88 HA THR 88 13.011 0.867 -7.006 510 HB THR 88 HB THR 88 11.713 -1.170 -7.382 511 HG1 THR 88 HG1 THR 88 9.595 0.553 -7.092 512 HG21 THR 88 HG21 THR 88 11.158 -1.681 -5.043 513 HG22 THR 88 HG22 THR 88 11.235 0.038 -4.655 514 HG23 THR 88 HG23 THR 88 12.687 -0.813 -5.180 515 H GLY 89 H GLY 89 12.051 3.209 -8.294 516 HA2 GLY 89 HA2 GLY 89 12.524 2.907 -10.867 517 HA3 GLY 89 HA3 GLY 89 10.891 2.259 -10.797 518 HA PRO 90 HA PRO 90 11.220 7.108 -11.042 519 HB2 PRO 90 HB2 PRO 90 10.502 7.308 -13.704 520 HB3 PRO 90 HB3 PRO 90 12.162 7.393 -13.105 521 HG2 PRO 90 HG2 PRO 90 10.679 5.060 -14.254 522 HG3 PRO 90 HG3 PRO 90 12.350 5.580 -14.556 523 HD2 PRO 90 HD2 PRO 90 11.822 3.540 -12.923 524 HD3 PRO 90 HD3 PRO 90 13.107 4.703 -12.538 525 H ASP 91 H ASP 91 9.092 4.592 -12.160 526 HA ASP 91 HA ASP 91 6.762 6.091 -12.653 527 HB2 ASP 91 HB2 ASP 91 5.555 3.961 -12.401 528 HB3 ASP 91 HB3 ASP 91 6.995 3.775 -13.395 529 H SER 92 H SER 92 8.129 4.852 -9.676 530 HA SER 92 HA SER 92 5.826 5.987 -8.236 531 HB2 SER 92 HB2 SER 92 7.673 3.761 -7.357 532 HB3 SER 92 HB3 SER 92 6.337 4.415 -6.411 533 HG SER 92 HG SER 92 6.023 3.288 -9.006 534 H CYS 93 H CYS 93 8.729 6.849 -9.129 535 HA CYS 93 HA CYS 93 9.938 7.582 -6.641 536 HB2 CYS 93 HB2 CYS 93 11.381 7.131 -8.522 537 HB3 CYS 93 HB3 CYS 93 10.567 8.355 -9.488 538 H LYS 94 H LYS 94 8.510 8.850 -5.538 539 HA LYS 94 HA LYS 94 7.492 11.278 -6.755 540 HB2 LYS 94 HB2 LYS 94 7.174 10.057 -4.011 541 HB3 LYS 94 HB3 LYS 94 6.570 11.663 -4.391 542 HG2 LYS 94 HG2 LYS 94 5.170 10.678 -6.180 543 HG3 LYS 94 HG3 LYS 94 5.732 9.077 -5.701 544 HD2 LYS 94 HD2 LYS 94 4.375 10.962 -3.777 545 HD3 LYS 94 HD3 LYS 94 3.473 9.827 -4.777 546 HE2 LYS 94 HE2 LYS 94 5.656 9.068 -2.842 547 HE3 LYS 94 HE3 LYS 94 3.933 8.987 -2.493 548 HZ1 LYS 94 HZ1 LYS 94 3.718 7.435 -4.385 549 HZ2 LYS 94 HZ2 LYS 94 4.682 6.839 -3.138 550 HZ3 LYS 94 HZ3 LYS 94 5.403 7.423 -4.546 551 H CYS 95 H CYS 95 10.368 10.765 -6.358 552 HA CYS 95 HA CYS 95 11.096 12.967 -4.570 553 HB2 CYS 95 HB2 CYS 95 12.881 10.832 -5.736 554 HB3 CYS 95 HB3 CYS 95 13.282 11.976 -4.458 555 H ASP 96 H ASP 96 13.356 13.886 -5.453 556 HA ASP 96 HA ASP 96 12.647 14.996 -8.027 557 HB2 ASP 96 HB2 ASP 96 14.322 16.685 -7.613 558 HB3 ASP 96 HB3 ASP 96 13.310 16.510 -6.188 559 H ARG 97 H ARG 97 14.794 15.670 -9.263 560 HA ARG 97 HA ARG 97 15.641 13.125 -10.283 561 HB2 ARG 97 HB2 ARG 97 16.510 14.320 -12.165 562 HB3 ARG 97 HB3 ARG 97 14.918 14.958 -11.775 563 HG2 ARG 97 HG2 ARG 97 15.988 16.850 -10.628 564 HG3 ARG 97 HG3 ARG 97 17.565 16.217 -11.102 565 HD2 ARG 97 HD2 ARG 97 16.302 16.236 -13.482 566 HD3 ARG 97 HD3 ARG 97 15.515 17.601 -12.699 567 HE ARG 97 HE ARG 97 18.202 17.959 -12.271 568 HH11 ARG 97 HH11 ARG 97 16.085 17.689 -15.063 569 HH12 ARG 97 HH12 ARG 97 17.117 18.615 -16.098 570 HH21 ARG 97 HH21 ARG 97 19.601 19.167 -13.658 571 HH22 ARG 97 HH22 ARG 97 19.120 19.445 -15.301 572 H SER 98 H SER 98 16.902 15.424 -8.129 573 HA SER 98 HA SER 98 19.637 14.452 -8.563 574 HB2 SER 98 HB2 SER 98 19.261 16.912 -8.793 575 HB3 SER 98 HB3 SER 98 18.709 16.952 -7.121 576 HG SER 98 HG SER 98 20.831 15.983 -6.639 577 H CYS 99 H CYS 99 17.367 13.175 -7.075 578 HA CYS 99 HA CYS 99 17.979 13.459 -4.291 579 HB2 CYS 99 HB2 CYS 99 15.755 12.661 -5.619 580 HB3 CYS 99 HB3 CYS 99 16.441 11.095 -5.200 581 H SER 100 H SER 100 18.297 11.262 -3.049 582 HA SER 100 HA SER 100 20.940 10.483 -3.614 583 HB2 SER 100 HB2 SER 100 20.029 10.532 -1.334 584 HB3 SER 100 HB3 SER 100 18.947 9.199 -1.734 585 HG SER 100 HG SER 100 21.714 8.883 -2.125 586 H CYS 101 H CYS 101 17.877 8.946 -4.343 587 HA CYS 101 HA CYS 101 19.137 6.479 -5.153 588 HB2 CYS 101 HB2 CYS 101 16.739 5.944 -5.815 589 HB3 CYS 101 HB3 CYS 101 17.066 6.207 -4.103 590 H LYS 102 H LYS 102 17.622 9.280 -6.679 591 HA LYS 102 HA LYS 102 17.687 8.175 -9.299 592 HB2 LYS 102 HB2 LYS 102 16.016 9.809 -8.454 593 HB3 LYS 102 HB3 LYS 102 17.290 11.014 -8.378 594 HG2 LYS 102 HG2 LYS 102 16.252 11.478 -10.349 595 HG3 LYS 102 HG3 LYS 102 17.629 10.510 -10.845 596 HD2 LYS 102 HD2 LYS 102 15.574 9.855 -12.047 597 HD3 LYS 102 HD3 LYS 102 16.190 8.548 -11.037 598 HE2 LYS 102 HE2 LYS 102 13.688 8.962 -10.996 599 HE3 LYS 102 HE3 LYS 102 14.499 8.828 -9.439 600 HZ1 LYS 102 HZ1 LYS 102 14.487 11.272 -9.303 601 HZ2 LYS 102 HZ2 LYS 102 12.932 10.642 -9.425 602 HZ3 LYS 102 HZ3 LYS 102 13.656 11.356 -10.779 Start of MODEL 7 1 HA2 GLY 1 HA2 GLY 1 5.665 0.649 3.639 2 HA3 GLY 1 HA3 GLY 1 4.132 -0.124 3.273 3 H SER 2 H SER 2 3.857 3.184 3.949 4 HA SER 2 HA SER 2 4.277 4.019 1.210 5 HB2 SER 2 HB2 SER 2 1.957 5.007 1.102 6 HB3 SER 2 HB3 SER 2 2.008 3.246 1.045 7 HG SER 2 HG SER 2 0.816 4.874 2.844 8 H MET 3 H MET 3 4.657 6.195 1.009 9 HA MET 3 HA MET 3 4.652 7.734 3.524 10 HB2 MET 3 HB2 MET 3 6.510 8.326 1.228 11 HB3 MET 3 HB3 MET 3 6.642 8.843 2.899 12 HG2 MET 3 HG2 MET 3 8.298 7.250 2.718 13 HG3 MET 3 HG3 MET 3 6.959 6.330 3.404 14 HE1 MET 3 HE1 MET 3 9.512 4.997 1.980 15 HE2 MET 3 HE2 MET 3 8.721 3.722 1.054 16 HE3 MET 3 HE3 MET 3 8.190 4.079 2.698 17 H SER 4 H SER 4 2.933 9.034 3.401 18 HA SER 4 HA SER 4 2.317 10.310 0.837 19 HB2 SER 4 HB2 SER 4 0.483 9.094 1.986 20 HB3 SER 4 HB3 SER 4 0.656 10.174 3.369 21 HG SER 4 HG SER 4 0.310 11.891 1.686 22 H SER 5 H SER 5 4.288 10.921 3.230 23 HA SER 5 HA SER 5 3.629 13.413 4.280 24 HB2 SER 5 HB2 SER 5 6.160 13.593 4.608 25 HB3 SER 5 HB3 SER 5 5.354 12.209 5.344 26 HG SER 5 HG SER 5 6.644 11.012 4.233 27 H VAL 6 H VAL 6 3.907 15.471 3.614 28 HA VAL 6 HA VAL 6 4.857 15.874 0.863 29 HB VAL 6 HB VAL 6 2.501 16.557 1.404 30 HG11 VAL 6 HG11 VAL 6 3.835 18.624 3.144 31 HG12 VAL 6 HG12 VAL 6 2.787 17.311 3.678 32 HG13 VAL 6 HG13 VAL 6 2.129 18.617 2.694 33 HG21 VAL 6 HG21 VAL 6 4.342 18.803 0.595 34 HG22 VAL 6 HG22 VAL 6 2.605 18.745 0.300 35 HG23 VAL 6 HG23 VAL 6 3.672 17.573 -0.476 36 H PHE 7 H PHE 7 5.700 16.358 4.091 37 HA PHE 7 HA PHE 7 7.187 18.789 3.692 38 HB2 PHE 7 HB2 PHE 7 7.943 18.469 6.027 39 HB3 PHE 7 HB3 PHE 7 6.194 18.434 5.868 40 HD1 PHE 7 HD1 PHE 7 9.197 16.448 6.574 41 HD2 PHE 7 HD2 PHE 7 4.954 16.432 6.324 42 HE1 PHE 7 HE1 PHE 7 9.136 14.300 7.772 43 HE2 PHE 7 HE2 PHE 7 4.885 14.287 7.515 44 HZ PHE 7 HZ PHE 7 6.980 13.217 8.243 45 H GLY 8 H GLY 8 9.495 18.826 4.472 46 HA2 GLY 8 HA2 GLY 8 10.967 16.788 2.987 47 HA3 GLY 8 HA3 GLY 8 11.579 18.359 3.488 48 H ALA 9 H ALA 9 12.874 18.435 5.196 49 HA ALA 9 HA ALA 9 12.734 16.270 7.171 50 HB1 ALA 9 HB1 ALA 9 15.168 16.062 7.171 51 HB2 ALA 9 HB2 ALA 9 15.276 17.249 5.872 52 HB3 ALA 9 HB3 ALA 9 14.506 15.690 5.579 53 H GLY 10 H GLY 10 12.127 19.264 6.864 54 HA2 GLY 10 HA2 GLY 10 12.348 20.154 9.393 55 HA3 GLY 10 HA3 GLY 10 13.943 20.508 8.737 56 H CYS 11 H CYS 11 10.519 20.905 7.905 57 HA CYS 11 HA CYS 11 11.121 23.287 6.395 58 HB2 CYS 11 HB2 CYS 11 8.462 22.021 7.052 59 HB3 CYS 11 HB3 CYS 11 8.707 23.359 5.937 60 H THR 12 H THR 12 10.105 25.349 6.787 61 HA THR 12 HA THR 12 9.948 26.019 9.574 62 HB THR 12 HB THR 12 9.540 28.327 8.536 63 HG1 THR 12 HG1 THR 12 9.817 28.482 6.335 64 HG21 THR 12 HG21 THR 12 12.061 26.928 7.660 65 HG22 THR 12 HG22 THR 12 11.754 27.435 9.322 66 HG23 THR 12 HG23 THR 12 11.861 28.640 8.038 67 H ASP 13 H ASP 13 8.056 27.427 10.275 68 HA ASP 13 HA ASP 13 5.643 25.999 9.839 69 HB2 ASP 13 HB2 ASP 13 6.297 28.511 11.349 70 HB3 ASP 13 HB3 ASP 13 4.629 27.987 11.151 71 H VAL 14 H VAL 14 7.041 28.768 8.369 72 HA VAL 14 HA VAL 14 4.693 29.891 7.273 73 HB VAL 14 HB VAL 14 6.860 31.104 7.456 74 HG11 VAL 14 HG11 VAL 14 7.698 29.381 5.139 75 HG12 VAL 14 HG12 VAL 14 8.380 29.369 6.767 76 HG13 VAL 14 HG13 VAL 14 8.572 30.791 5.738 77 HG21 VAL 14 HG21 VAL 14 6.715 32.287 5.333 78 HG22 VAL 14 HG22 VAL 14 5.115 31.960 6.002 79 HG23 VAL 14 HG23 VAL 14 5.733 30.984 4.667 80 H CYS 15 H CYS 15 6.600 27.145 6.385 81 HA CYS 15 HA CYS 15 5.686 26.993 3.673 82 HB2 CYS 15 HB2 CYS 15 7.820 26.006 4.273 83 HB3 CYS 15 HB3 CYS 15 7.046 24.981 5.476 84 H LYS 16 H LYS 16 4.575 25.948 6.780 85 HA LYS 16 HA LYS 16 2.722 24.023 5.687 86 HB2 LYS 16 HB2 LYS 16 2.983 25.000 8.538 87 HB3 LYS 16 HB3 LYS 16 2.109 23.573 7.996 88 HG2 LYS 16 HG2 LYS 16 5.093 23.977 7.772 89 HG3 LYS 16 HG3 LYS 16 4.281 23.016 9.006 90 HD2 LYS 16 HD2 LYS 16 3.882 21.291 7.583 91 HD3 LYS 16 HD3 LYS 16 3.600 22.352 6.206 92 HE2 LYS 16 HE2 LYS 16 6.069 22.781 6.159 93 HE3 LYS 16 HE3 LYS 16 6.242 21.508 7.366 94 HZ1 LYS 16 HZ1 LYS 16 6.599 20.676 5.126 95 HZ2 LYS 16 HZ2 LYS 16 5.060 21.182 4.669 96 HZ3 LYS 16 HZ3 LYS 16 5.232 19.954 5.820 97 H GLN 17 H GLN 17 2.703 27.155 5.458 98 HA GLN 17 HA GLN 17 0.137 27.904 6.467 99 HB2 GLN 17 HB2 GLN 17 2.108 29.181 4.608 100 HB3 GLN 17 HB3 GLN 17 0.493 29.848 4.779 101 HG2 GLN 17 HG2 GLN 17 0.871 30.130 7.173 102 HG3 GLN 17 HG3 GLN 17 2.497 29.471 6.987 103 HE21 GLN 17 HE21 GLN 17 3.385 31.379 7.771 104 HE22 GLN 17 HE22 GLN 17 3.490 32.808 6.803 105 H THR 18 H THR 18 -1.260 29.103 4.634 106 HA THR 18 HA THR 18 -1.584 27.512 2.258 107 HB THR 18 HB THR 18 -3.810 27.516 4.322 108 HG1 THR 18 HG1 THR 18 -1.706 25.850 3.849 109 HG21 THR 18 HG21 THR 18 -4.633 27.580 2.008 110 HG22 THR 18 HG22 THR 18 -4.947 26.010 2.746 111 HG23 THR 18 HG23 THR 18 -3.615 26.197 1.605 112 HA PRO 19 HA PRO 19 -1.642 28.000 0.323 113 HB2 PRO 19 HB2 PRO 19 -0.372 29.831 -1.239 114 HB3 PRO 19 HB3 PRO 19 -2.043 29.327 -1.519 115 HG2 PRO 19 HG2 PRO 19 -1.007 31.762 -0.128 116 HG3 PRO 19 HG3 PRO 19 -2.334 31.621 -1.295 117 HD2 PRO 19 HD2 PRO 19 -2.776 31.797 1.354 118 HD3 PRO 19 HD3 PRO 19 -3.814 30.829 0.290 119 H CYS 20 H CYS 20 0.683 27.721 -0.196 120 HA CYS 20 HA CYS 20 2.263 27.747 2.055 121 HB2 CYS 20 HB2 CYS 20 2.654 26.334 0.085 122 HB3 CYS 20 HB3 CYS 20 3.184 27.752 -0.814 123 H GLY 21 H GLY 21 3.393 29.221 3.089 124 HA2 GLY 21 HA2 GLY 21 3.318 31.919 2.117 125 HA3 GLY 21 HA3 GLY 21 3.889 31.374 3.684 126 H CYS 22 H CYS 22 5.552 29.382 1.825 127 HA CYS 22 HA CYS 22 7.988 30.777 2.066 128 HB2 CYS 22 HB2 CYS 22 7.231 28.317 0.516 129 HB3 CYS 22 HB3 CYS 22 8.870 28.956 0.516 130 H ALA 23 H ALA 23 5.603 30.872 -0.386 131 HA ALA 23 HA ALA 23 7.483 31.862 -2.367 132 HB1 ALA 23 HB1 ALA 23 5.770 30.259 -3.052 133 HB2 ALA 23 HB2 ALA 23 5.621 31.788 -3.919 134 HB3 ALA 23 HB3 ALA 23 4.520 31.414 -2.592 135 H THR 24 H THR 24 5.788 33.211 0.123 136 HA THR 24 HA THR 24 5.742 35.800 -1.267 137 HB THR 24 HB THR 24 3.425 35.018 -1.022 138 HG1 THR 24 HG1 THR 24 3.853 37.262 -0.833 139 HG21 THR 24 HG21 THR 24 4.011 35.017 1.942 140 HG22 THR 24 HG22 THR 24 3.664 33.605 0.944 141 HG23 THR 24 HG23 THR 24 2.414 34.819 1.220 142 H SER 25 H SER 25 6.512 34.013 1.586 143 HA SER 25 HA SER 25 7.353 36.485 2.931 144 HB2 SER 25 HB2 SER 25 5.707 35.095 4.158 145 HB3 SER 25 HB3 SER 25 6.842 33.752 4.116 146 HG SER 25 HG SER 25 6.847 36.054 5.660 147 H GLY 26 H GLY 26 8.423 33.341 1.775 148 HA2 GLY 26 HA2 GLY 26 10.916 33.652 1.149 149 HA3 GLY 26 HA3 GLY 26 11.085 33.843 2.888 150 H CYS 27 H CYS 27 12.008 31.794 0.888 151 HA CYS 27 HA CYS 27 10.720 29.381 1.918 152 HB2 CYS 27 HB2 CYS 27 11.145 29.820 -0.561 153 HB3 CYS 27 HB3 CYS 27 12.852 29.593 -0.205 154 H ASN 28 H ASN 28 11.660 28.327 3.610 155 HA ASN 28 HA ASN 28 14.558 28.734 4.039 156 HB2 ASN 28 HB2 ASN 28 12.394 28.893 6.128 157 HB3 ASN 28 HB3 ASN 28 14.116 28.878 6.477 158 HD21 ASN 28 HD21 ASN 28 11.919 30.823 6.883 159 HD22 ASN 28 HD22 ASN 28 12.518 32.316 6.228 160 H CYS 29 H CYS 29 12.367 26.406 3.422 161 HA CYS 29 HA CYS 29 13.169 24.568 5.497 162 HB2 CYS 29 HB2 CYS 29 11.718 22.964 4.138 163 HB3 CYS 29 HB3 CYS 29 10.924 24.345 4.908 164 H THR 30 H THR 30 13.471 22.209 4.489 165 HA THR 30 HA THR 30 16.098 22.274 3.335 166 HB THR 30 HB THR 30 15.900 19.776 3.574 167 HG1 THR 30 HG1 THR 30 13.412 20.136 3.518 168 HG21 THR 30 HG21 THR 30 15.938 19.810 6.039 169 HG22 THR 30 HG22 THR 30 15.250 21.434 6.023 170 HG23 THR 30 HG23 THR 30 16.863 21.153 5.366 171 H ASP 31 H ASP 31 16.722 21.022 1.457 172 HA ASP 31 HA ASP 31 15.196 21.402 -0.865 173 HB2 ASP 31 HB2 ASP 31 17.512 19.569 -0.256 174 HB3 ASP 31 HB3 ASP 31 16.765 19.616 -1.844 175 H ASP 32 H ASP 32 15.326 18.809 1.419 176 HA ASP 32 HA ASP 32 14.087 16.794 -0.099 177 HB2 ASP 32 HB2 ASP 32 14.382 17.224 2.859 178 HB3 ASP 32 HB3 ASP 32 13.488 15.852 2.217 179 H CYS 33 H CYS 33 12.767 19.684 0.957 180 HA CYS 33 HA CYS 33 10.204 18.961 1.789 181 HB2 CYS 33 HB2 CYS 33 10.949 21.233 2.031 182 HB3 CYS 33 HB3 CYS 33 11.174 21.388 0.291 183 H LYS 34 H LYS 34 8.706 17.881 0.782 184 HA LYS 34 HA LYS 34 8.858 17.552 -2.104 185 HB2 LYS 34 HB2 LYS 34 7.388 16.057 0.058 186 HB3 LYS 34 HB3 LYS 34 7.234 15.675 -1.657 187 HG2 LYS 34 HG2 LYS 34 9.636 15.176 -1.753 188 HG3 LYS 34 HG3 LYS 34 9.786 15.580 -0.043 189 HD2 LYS 34 HD2 LYS 34 8.013 13.375 -1.109 190 HD3 LYS 34 HD3 LYS 34 9.658 13.121 -0.523 191 HE2 LYS 34 HE2 LYS 34 9.021 13.953 1.676 192 HE3 LYS 34 HE3 LYS 34 7.390 14.285 1.095 193 HZ1 LYS 34 HZ1 LYS 34 8.653 11.601 1.271 194 HZ2 LYS 34 HZ2 LYS 34 7.100 11.919 0.694 195 HZ3 LYS 34 HZ3 LYS 34 7.467 12.211 2.314 196 H CYS 35 H CYS 35 7.645 19.934 -0.551 197 HA CYS 35 HA CYS 35 4.844 19.858 -1.080 198 HB2 CYS 35 HB2 CYS 35 5.854 21.311 0.673 199 HB3 CYS 35 HB3 CYS 35 6.626 22.263 -0.586 200 H GLN 36 H GLN 36 3.728 20.590 -2.800 201 HA GLN 36 HA GLN 36 5.277 20.934 -5.242 202 HB2 GLN 36 HB2 GLN 36 2.283 20.708 -4.944 203 HB3 GLN 36 HB3 GLN 36 3.234 20.453 -6.400 204 HG2 GLN 36 HG2 GLN 36 4.250 18.480 -5.417 205 HG3 GLN 36 HG3 GLN 36 3.352 18.744 -3.925 206 HE21 GLN 36 HE21 GLN 36 3.355 16.456 -5.679 207 HE22 GLN 36 HE22 GLN 36 1.722 16.230 -6.203 208 H SER 37 H SER 37 4.479 22.992 -2.984 209 HA SER 37 HA SER 37 3.204 25.005 -4.652 210 HB2 SER 37 HB2 SER 37 3.959 25.257 -1.748 211 HB3 SER 37 HB3 SER 37 2.758 26.186 -2.648 212 HG SER 37 HG SER 37 2.594 23.651 -1.541 213 H CYS 38 H CYS 38 6.003 24.939 -2.384 214 HA CYS 38 HA CYS 38 7.008 27.350 -3.571 215 HB2 CYS 38 HB2 CYS 38 8.933 26.993 -1.942 216 HB3 CYS 38 HB3 CYS 38 7.338 27.212 -1.239 217 H LYS 39 H LYS 39 7.045 24.375 -4.750 218 HA LYS 39 HA LYS 39 9.813 24.464 -5.707 219 HB2 LYS 39 HB2 LYS 39 7.841 22.261 -5.350 220 HB3 LYS 39 HB3 LYS 39 9.056 22.089 -6.613 221 HG2 LYS 39 HG2 LYS 39 9.736 21.031 -4.512 222 HG3 LYS 39 HG3 LYS 39 10.825 22.340 -4.971 223 HD2 LYS 39 HD2 LYS 39 9.467 23.826 -3.438 224 HD3 LYS 39 HD3 LYS 39 8.696 22.352 -2.847 225 HE2 LYS 39 HE2 LYS 39 10.808 21.481 -2.097 226 HE3 LYS 39 HE3 LYS 39 11.670 22.821 -2.846 227 HZ1 LYS 39 HZ1 LYS 39 11.486 23.204 -0.498 228 HZ2 LYS 39 HZ2 LYS 39 9.811 22.990 -0.532 229 HZ3 LYS 39 HZ3 LYS 39 10.501 24.328 -1.290 230 H TYR 40 H TYR 40 6.965 25.616 -6.668 231 HA TYR 40 HA TYR 40 7.293 24.938 -9.479 232 HB2 TYR 40 HB2 TYR 40 5.051 24.870 -8.978 233 HB3 TYR 40 HB3 TYR 40 5.115 26.261 -7.895 234 HD1 TYR 40 HD1 TYR 40 4.979 25.158 -11.414 235 HD2 TYR 40 HD2 TYR 40 4.777 28.473 -8.763 236 HE1 TYR 40 HE1 TYR 40 4.118 26.565 -13.242 237 HE2 TYR 40 HE2 TYR 40 3.918 29.887 -10.579 238 HH TYR 40 HH TYR 40 3.987 29.934 -13.041 239 H GLY 41 H GLY 41 7.662 26.459 -11.073 240 HA2 GLY 41 HA2 GLY 41 8.282 28.555 -11.922 241 HA3 GLY 41 HA3 GLY 41 8.439 29.150 -10.275 242 H ALA 42 H ALA 42 10.139 27.683 -9.045 243 HA ALA 42 HA ALA 42 12.623 28.077 -10.511 244 HB1 ALA 42 HB1 ALA 42 12.131 27.413 -7.614 245 HB2 ALA 42 HB2 ALA 42 12.397 29.026 -8.271 246 HB3 ALA 42 HB3 ALA 42 13.690 27.826 -8.329 247 H GLY 43 H GLY 43 10.564 25.669 -10.521 248 HA2 GLY 43 HA2 GLY 43 12.662 23.676 -10.782 249 HA3 GLY 43 HA3 GLY 43 11.457 23.377 -9.550 250 H CYS 44 H CYS 44 10.244 24.953 -12.355 251 HA CYS 44 HA CYS 44 9.633 22.469 -13.678 252 HB2 CYS 44 HB2 CYS 44 7.541 23.939 -12.099 253 HB3 CYS 44 HB3 CYS 44 7.089 23.103 -13.583 254 H THR 45 H THR 45 8.206 22.823 -15.585 255 HA THR 45 HA THR 45 8.528 25.523 -16.658 256 HB THR 45 HB THR 45 10.241 24.000 -17.646 257 HG1 THR 45 HG1 THR 45 9.460 25.653 -18.966 258 HG21 THR 45 HG21 THR 45 9.047 21.892 -17.482 259 HG22 THR 45 HG22 THR 45 9.497 22.197 -19.161 260 HG23 THR 45 HG23 THR 45 7.835 22.465 -18.627 261 H ASP 46 H ASP 46 7.079 25.745 -18.624 262 HA ASP 46 HA ASP 46 4.408 25.307 -17.792 263 HB2 ASP 46 HB2 ASP 46 3.749 26.348 -19.898 264 HB3 ASP 46 HB3 ASP 46 5.090 27.236 -19.187 265 H THR 47 H THR 47 6.563 23.458 -19.689 266 HA THR 47 HA THR 47 4.551 21.962 -21.077 267 HB THR 47 HB THR 47 7.438 21.170 -20.794 268 HG1 THR 47 HG1 THR 47 6.298 23.413 -22.050 269 HG21 THR 47 HG21 THR 47 5.443 21.014 -23.058 270 HG22 THR 47 HG22 THR 47 5.931 19.673 -22.018 271 HG23 THR 47 HG23 THR 47 7.102 20.419 -23.101 272 H CYS 48 H CYS 48 5.954 21.863 -17.990 273 HA CYS 48 HA CYS 48 5.466 19.001 -17.622 274 HB2 CYS 48 HB2 CYS 48 7.582 19.969 -16.746 275 HB3 CYS 48 HB3 CYS 48 6.642 21.031 -15.706 276 H LYS 49 H LYS 49 3.838 21.877 -17.404 277 HA LYS 49 HA LYS 49 2.265 21.296 -15.054 278 HB2 LYS 49 HB2 LYS 49 1.497 23.269 -17.191 279 HB3 LYS 49 HB3 LYS 49 1.083 23.273 -15.485 280 HG2 LYS 49 HG2 LYS 49 3.765 23.826 -16.680 281 HG3 LYS 49 HG3 LYS 49 2.669 25.001 -15.952 282 HD2 LYS 49 HD2 LYS 49 3.918 22.674 -14.530 283 HD3 LYS 49 HD3 LYS 49 4.531 24.322 -14.454 284 HE2 LYS 49 HE2 LYS 49 3.285 24.269 -12.522 285 HE3 LYS 49 HE3 LYS 49 2.061 24.830 -13.656 286 HZ1 LYS 49 HZ1 LYS 49 1.325 23.026 -12.154 287 HZ2 LYS 49 HZ2 LYS 49 2.425 21.979 -12.899 288 HZ3 LYS 49 HZ3 LYS 49 1.147 22.646 -13.787 289 H GLN 50 H GLN 50 2.324 20.085 -18.118 290 HA GLN 50 HA GLN 50 -0.490 19.892 -18.604 291 HB2 GLN 50 HB2 GLN 50 1.560 18.145 -19.912 292 HB3 GLN 50 HB3 GLN 50 0.068 18.796 -20.580 293 HG2 GLN 50 HG2 GLN 50 1.281 21.087 -20.156 294 HG3 GLN 50 HG3 GLN 50 2.718 20.079 -20.245 295 HE21 GLN 50 HE21 GLN 50 2.052 22.129 -21.984 296 HE22 GLN 50 HE22 GLN 50 1.807 21.437 -23.554 297 H THR 51 H THR 51 -0.895 17.302 -19.344 298 HA THR 51 HA THR 51 -0.185 15.618 -17.082 299 HB THR 51 HB THR 51 -3.067 16.054 -17.914 300 HG1 THR 51 HG1 THR 51 -1.480 17.419 -16.232 301 HG21 THR 51 HG21 THR 51 -2.603 13.767 -17.129 302 HG22 THR 51 HG22 THR 51 -3.595 14.650 -15.969 303 HG23 THR 51 HG23 THR 51 -1.875 14.420 -15.662 304 HA PRO 52 HA PRO 52 0.249 13.689 -16.588 305 HB2 PRO 52 HB2 PRO 52 2.384 12.134 -17.273 306 HB3 PRO 52 HB3 PRO 52 0.765 11.485 -16.990 307 HG2 PRO 52 HG2 PRO 52 2.118 12.134 -19.579 308 HG3 PRO 52 HG3 PRO 52 1.132 10.723 -19.154 309 HD2 PRO 52 HD2 PRO 52 0.149 12.788 -20.586 310 HD3 PRO 52 HD3 PRO 52 -0.851 11.864 -19.449 311 H CYS 53 H CYS 53 2.191 14.296 -19.491 312 HA CYS 53 HA CYS 53 3.303 16.688 -18.472 313 HB2 CYS 53 HB2 CYS 53 4.606 14.941 -17.232 314 HB3 CYS 53 HB3 CYS 53 5.202 14.359 -18.776 315 H GLY 54 H GLY 54 4.367 17.845 -20.131 316 HA2 GLY 54 HA2 GLY 54 4.108 16.586 -22.770 317 HA3 GLY 54 HA3 GLY 54 4.129 18.313 -22.454 318 H CYS 55 H CYS 55 6.476 17.363 -20.471 319 HA CYS 55 HA CYS 55 8.539 18.322 -22.111 320 HB2 CYS 55 HB2 CYS 55 8.657 16.790 -19.513 321 HB3 CYS 55 HB3 CYS 55 10.031 17.598 -20.253 322 H GLY 56 H GLY 56 8.452 15.107 -20.597 323 HA2 GLY 56 HA2 GLY 56 9.202 13.059 -21.336 324 HA3 GLY 56 HA3 GLY 56 8.812 13.615 -22.958 325 H SER 57 H SER 57 10.445 13.969 -24.333 326 HA SER 57 HA SER 57 13.167 13.936 -23.256 327 HB2 SER 57 HB2 SER 57 13.747 13.499 -25.723 328 HB3 SER 57 HB3 SER 57 12.921 12.209 -24.848 329 HG SER 57 HG SER 57 11.983 13.885 -26.879 330 H GLY 58 H GLY 58 10.899 16.098 -24.115 331 HA2 GLY 58 HA2 GLY 58 12.889 18.038 -25.124 332 HA3 GLY 58 HA3 GLY 58 11.186 18.072 -25.577 333 H CYS 59 H CYS 59 13.039 17.822 -22.600 334 HA CYS 59 HA CYS 59 11.046 19.218 -21.100 335 HB2 CYS 59 HB2 CYS 59 12.139 17.419 -20.039 336 HB3 CYS 59 HB3 CYS 59 13.736 18.046 -20.432 337 H ASN 60 H ASN 60 11.585 21.034 -19.672 338 HA ASN 60 HA ASN 60 13.705 22.834 -20.499 339 HB2 ASN 60 HB2 ASN 60 11.840 23.271 -22.101 340 HB3 ASN 60 HB3 ASN 60 10.794 23.650 -20.739 341 HD21 ASN 60 HD21 ASN 60 10.419 25.705 -21.340 342 HD22 ASN 60 HD22 ASN 60 11.613 26.958 -21.305 343 H CYS 61 H CYS 61 12.603 21.339 -18.085 344 HA CYS 61 HA CYS 61 11.578 23.279 -16.277 345 HB2 CYS 61 HB2 CYS 61 12.571 20.482 -15.982 346 HB3 CYS 61 HB3 CYS 61 12.325 21.466 -14.543 347 H LYS 62 H LYS 62 12.768 23.285 -13.986 348 HA LYS 62 HA LYS 62 15.263 24.704 -14.542 349 HB2 LYS 62 HB2 LYS 62 13.454 24.865 -12.128 350 HB3 LYS 62 HB3 LYS 62 14.871 25.859 -12.392 351 HG2 LYS 62 HG2 LYS 62 13.152 26.117 -14.665 352 HG3 LYS 62 HG3 LYS 62 12.182 26.311 -13.211 353 HD2 LYS 62 HD2 LYS 62 13.069 28.471 -14.017 354 HD3 LYS 62 HD3 LYS 62 13.672 28.071 -12.409 355 HE2 LYS 62 HE2 LYS 62 15.749 27.260 -13.398 356 HE3 LYS 62 HE3 LYS 62 15.146 27.674 -15.002 357 HZ1 LYS 62 HZ1 LYS 62 15.022 29.991 -14.278 358 HZ2 LYS 62 HZ2 LYS 62 16.597 29.393 -14.195 359 HZ3 LYS 62 HZ3 LYS 62 15.685 29.569 -12.783 360 H GLU 63 H GLU 63 14.456 23.597 -11.315 361 HA GLU 63 HA GLU 63 16.555 21.544 -11.399 362 HB2 GLU 63 HB2 GLU 63 17.674 23.620 -10.691 363 HB3 GLU 63 HB3 GLU 63 16.471 23.859 -9.438 364 HG2 GLU 63 HG2 GLU 63 18.014 22.926 -8.103 365 HG3 GLU 63 HG3 GLU 63 17.415 21.407 -8.762 366 H ASP 64 H ASP 64 14.081 23.147 -9.478 367 HA ASP 64 HA ASP 64 13.855 21.021 -7.566 368 HB2 ASP 64 HB2 ASP 64 12.567 23.688 -7.989 369 HB3 ASP 64 HB3 ASP 64 11.879 22.566 -6.838 370 H CYS 65 H CYS 65 13.246 19.958 -10.102 371 HA CYS 65 HA CYS 65 10.318 19.881 -10.186 372 HB2 CYS 65 HB2 CYS 65 11.351 20.132 -12.337 373 HB3 CYS 65 HB3 CYS 65 12.377 18.728 -12.067 374 H ARG 66 H ARG 66 9.112 18.247 -9.524 375 HA ARG 66 HA ARG 66 10.488 16.055 -8.144 376 HB2 ARG 66 HB2 ARG 66 7.609 16.979 -7.934 377 HB3 ARG 66 HB3 ARG 66 8.334 15.696 -6.986 378 HG2 ARG 66 HG2 ARG 66 8.275 17.536 -5.544 379 HG3 ARG 66 HG3 ARG 66 9.944 17.482 -6.110 380 HD2 ARG 66 HD2 ARG 66 8.953 19.781 -6.071 381 HD3 ARG 66 HD3 ARG 66 9.547 19.285 -7.652 382 HE ARG 66 HE ARG 66 6.722 18.863 -7.131 383 HH11 ARG 66 HH11 ARG 66 9.198 20.939 -8.512 384 HH12 ARG 66 HH12 ARG 66 8.126 21.698 -9.634 385 HH21 ARG 66 HH21 ARG 66 5.276 19.899 -8.616 386 HH22 ARG 66 HH22 ARG 66 5.886 21.108 -9.688 387 H CYS 67 H CYS 67 9.418 16.510 -11.118 388 HA CYS 67 HA CYS 67 7.793 14.108 -11.393 389 HB2 CYS 67 HB2 CYS 67 7.299 16.228 -12.665 390 HB3 CYS 67 HB3 CYS 67 8.780 15.956 -13.562 391 H GLN 68 H GLN 68 8.474 12.234 -12.029 392 HA GLN 68 HA GLN 68 11.278 11.942 -12.732 393 HB2 GLN 68 HB2 GLN 68 10.939 9.533 -12.318 394 HB3 GLN 68 HB3 GLN 68 10.597 10.539 -10.922 395 HG2 GLN 68 HG2 GLN 68 8.449 9.538 -12.757 396 HG3 GLN 68 HG3 GLN 68 9.002 8.620 -11.352 397 HE21 GLN 68 HE21 GLN 68 8.870 9.729 -9.332 398 HE22 GLN 68 HE22 GLN 68 7.565 10.826 -9.059 399 H SER 69 H SER 69 8.660 12.577 -14.425 400 HA SER 69 HA SER 69 8.845 10.452 -16.377 401 HB2 SER 69 HB2 SER 69 6.638 11.457 -15.742 402 HB3 SER 69 HB3 SER 69 7.162 12.969 -16.480 403 HG SER 69 HG SER 69 7.516 10.858 -18.154 404 H CYS 70 H CYS 70 9.795 13.810 -15.977 405 HA CYS 70 HA CYS 70 11.042 13.657 -18.606 406 HB2 CYS 70 HB2 CYS 70 11.146 16.131 -18.552 407 HB3 CYS 70 HB3 CYS 70 9.515 15.498 -18.421 408 H SER 71 H SER 71 11.721 13.718 -15.257 409 HA SER 71 HA SER 71 14.347 14.778 -15.309 410 HB2 SER 71 HB2 SER 71 14.643 13.632 -13.150 411 HB3 SER 71 HB3 SER 71 13.102 14.486 -13.218 412 HG SER 71 HG SER 71 13.312 12.101 -12.495 413 H THR 72 H THR 72 16.345 13.535 -14.959 414 HA THR 72 HA THR 72 16.441 11.303 -16.818 415 HB THR 72 HB THR 72 18.236 13.144 -16.723 416 HG1 THR 72 HG1 THR 72 18.654 11.300 -17.901 417 HG21 THR 72 HG21 THR 72 20.059 12.791 -15.125 418 HG22 THR 72 HG22 THR 72 19.152 11.483 -14.367 419 HG23 THR 72 HG23 THR 72 18.553 13.137 -14.274 420 H ALA 73 H ALA 73 17.532 9.312 -16.298 421 HA ALA 73 HA ALA 73 16.377 8.067 -14.064 422 HB1 ALA 73 HB1 ALA 73 16.935 6.866 -16.117 423 HB2 ALA 73 HB2 ALA 73 17.683 6.116 -14.706 424 HB3 ALA 73 HB3 ALA 73 18.651 7.111 -15.793 425 H CYS 74 H CYS 74 16.917 8.166 -12.088 426 HA CYS 74 HA CYS 74 19.179 9.354 -10.981 427 HB2 CYS 74 HB2 CYS 74 17.252 7.334 -9.850 428 HB3 CYS 74 HB3 CYS 74 18.466 8.182 -8.892 429 H LYS 75 H LYS 75 20.649 8.207 -9.411 430 HA LYS 75 HA LYS 75 21.956 6.007 -10.751 431 HB2 LYS 75 HB2 LYS 75 22.638 7.527 -8.229 432 HB3 LYS 75 HB3 LYS 75 23.610 6.207 -8.865 433 HG2 LYS 75 HG2 LYS 75 23.064 8.856 -10.186 434 HG3 LYS 75 HG3 LYS 75 24.593 8.298 -9.504 435 HD2 LYS 75 HD2 LYS 75 24.651 6.486 -11.163 436 HD3 LYS 75 HD3 LYS 75 23.143 7.080 -11.850 437 HE2 LYS 75 HE2 LYS 75 24.898 7.938 -13.222 438 HE3 LYS 75 HE3 LYS 75 24.302 9.279 -12.249 439 HZ1 LYS 75 HZ1 LYS 75 26.784 7.723 -11.832 440 HZ2 LYS 75 HZ2 LYS 75 26.180 8.815 -10.697 441 HZ3 LYS 75 HZ3 LYS 75 26.655 9.361 -12.220 442 H CYS 76 H CYS 76 19.325 6.166 -8.968 443 HA CYS 76 HA CYS 76 19.880 3.996 -7.194 444 HB2 CYS 76 HB2 CYS 76 17.129 4.994 -7.875 445 HB3 CYS 76 HB3 CYS 76 17.689 4.268 -6.380 446 H ALA 77 H ALA 77 20.102 2.071 -8.146 447 HA ALA 77 HA ALA 77 17.986 0.876 -9.645 448 HB1 ALA 77 HB1 ALA 77 20.533 1.496 -11.148 449 HB2 ALA 77 HB2 ALA 77 18.958 2.232 -11.440 450 HB3 ALA 77 HB3 ALA 77 19.198 0.512 -11.745 451 H ALA 78 H ALA 78 18.106 -1.314 -9.584 452 HA ALA 78 HA ALA 78 18.753 -3.384 -8.882 453 HB1 ALA 78 HB1 ALA 78 21.428 -2.459 -9.920 454 HB2 ALA 78 HB2 ALA 78 20.129 -3.159 -10.888 455 HB3 ALA 78 HB3 ALA 78 20.937 -4.132 -9.658 456 H GLY 79 H GLY 79 18.929 -1.271 -6.875 457 HA2 GLY 79 HA2 GLY 79 19.430 -1.427 -4.597 458 HA3 GLY 79 HA3 GLY 79 20.578 -2.705 -4.960 459 H SER 80 H SER 80 20.320 0.592 -6.218 460 HA SER 80 HA SER 80 22.989 1.125 -5.117 461 HB2 SER 80 HB2 SER 80 22.889 0.753 -7.635 462 HB3 SER 80 HB3 SER 80 21.948 2.237 -7.728 463 HG SER 80 HG SER 80 23.699 3.352 -6.848 464 H CYS 81 H CYS 81 20.060 1.745 -4.346 465 HA CYS 81 HA CYS 81 19.744 4.553 -4.508 466 HB2 CYS 81 HB2 CYS 81 17.821 3.201 -4.231 467 HB3 CYS 81 HB3 CYS 81 18.515 2.362 -2.851 468 H LYS 82 H LYS 82 19.994 6.076 -2.724 469 HA LYS 82 HA LYS 82 21.333 5.142 -0.322 470 HB2 LYS 82 HB2 LYS 82 23.232 6.596 -0.474 471 HB3 LYS 82 HB3 LYS 82 23.191 5.519 -1.861 472 HG2 LYS 82 HG2 LYS 82 22.868 7.205 -3.331 473 HG3 LYS 82 HG3 LYS 82 21.925 8.168 -2.188 474 HD2 LYS 82 HD2 LYS 82 23.861 8.888 -1.052 475 HD3 LYS 82 HD3 LYS 82 24.870 7.698 -1.872 476 HE2 LYS 82 HE2 LYS 82 23.469 9.997 -3.236 477 HE3 LYS 82 HE3 LYS 82 25.160 10.011 -2.741 478 HZ1 LYS 82 HZ1 LYS 82 24.936 9.460 -5.076 479 HZ2 LYS 82 HZ2 LYS 82 23.949 8.141 -4.713 480 HZ3 LYS 82 HZ3 LYS 82 25.567 8.145 -4.227 481 H CYS 83 H CYS 83 19.113 7.171 -1.711 482 HA CYS 83 HA CYS 83 19.558 9.434 0.029 483 HB2 CYS 83 HB2 CYS 83 17.378 10.235 -0.935 484 HB3 CYS 83 HB3 CYS 83 18.659 9.942 -2.109 485 H GLY 84 H GLY 84 18.051 6.419 0.302 486 HA2 GLY 84 HA2 GLY 84 17.338 5.623 2.417 487 HA3 GLY 84 HA3 GLY 84 16.951 7.271 2.874 488 H LYS 85 H LYS 85 15.819 6.555 -0.224 489 HA LYS 85 HA LYS 85 13.099 6.339 0.817 490 HB2 LYS 85 HB2 LYS 85 13.978 6.551 -2.065 491 HB3 LYS 85 HB3 LYS 85 12.355 6.792 -1.434 492 HG2 LYS 85 HG2 LYS 85 14.733 8.517 -0.802 493 HG3 LYS 85 HG3 LYS 85 13.495 8.887 -2.000 494 HD2 LYS 85 HD2 LYS 85 11.858 9.245 -0.372 495 HD3 LYS 85 HD3 LYS 85 12.759 8.351 0.859 496 HE2 LYS 85 HE2 LYS 85 12.812 10.819 1.170 497 HE3 LYS 85 HE3 LYS 85 14.397 10.055 1.010 498 HZ1 LYS 85 HZ1 LYS 85 12.950 11.588 -1.090 499 HZ2 LYS 85 HZ2 LYS 85 14.369 10.721 -1.367 500 HZ3 LYS 85 HZ3 LYS 85 14.376 12.033 -0.305 501 H GLY 86 H GLY 86 15.553 4.466 -0.663 502 HA2 GLY 86 HA2 GLY 86 15.683 2.236 -1.239 503 HA3 GLY 86 HA3 GLY 86 14.301 1.992 -0.176 504 H CYS 87 H CYS 87 14.735 3.762 -3.211 505 HA CYS 87 HA CYS 87 12.223 2.578 -4.155 506 HB2 CYS 87 HB2 CYS 87 12.495 4.452 -5.921 507 HB3 CYS 87 HB3 CYS 87 12.070 4.916 -4.278 508 H THR 88 H THR 88 15.559 3.096 -5.060 509 HA THR 88 HA THR 88 16.895 2.269 -6.677 510 HB THR 88 HB THR 88 16.755 -0.209 -7.060 511 HG1 THR 88 HG1 THR 88 14.267 0.108 -6.259 512 HG21 THR 88 HG21 THR 88 17.306 -0.805 -4.736 513 HG22 THR 88 HG22 THR 88 16.650 0.741 -4.195 514 HG23 THR 88 HG23 THR 88 18.076 0.701 -5.233 515 H GLY 89 H GLY 89 15.416 3.794 -8.017 516 HA2 GLY 89 HA2 GLY 89 15.517 3.235 -10.573 517 HA3 GLY 89 HA3 GLY 89 14.078 2.308 -10.152 518 HA PRO 90 HA PRO 90 13.508 7.097 -10.702 519 HB2 PRO 90 HB2 PRO 90 12.859 7.241 -13.359 520 HB3 PRO 90 HB3 PRO 90 14.493 7.486 -12.732 521 HG2 PRO 90 HG2 PRO 90 13.280 5.038 -13.953 522 HG3 PRO 90 HG3 PRO 90 14.890 5.736 -14.211 523 HD2 PRO 90 HD2 PRO 90 14.493 3.613 -12.603 524 HD3 PRO 90 HD3 PRO 90 15.729 4.839 -12.254 525 H ASP 91 H ASP 91 11.836 4.283 -11.970 526 HA ASP 91 HA ASP 91 9.290 5.473 -12.355 527 HB2 ASP 91 HB2 ASP 91 9.897 2.578 -11.707 528 HB3 ASP 91 HB3 ASP 91 8.412 3.200 -12.407 529 H SER 92 H SER 92 10.864 3.961 -9.611 530 HA SER 92 HA SER 92 8.445 4.190 -8.016 531 HB2 SER 92 HB2 SER 92 11.129 3.008 -7.292 532 HB3 SER 92 HB3 SER 92 9.630 2.861 -6.370 533 HG SER 92 HG SER 92 8.748 1.847 -8.307 534 H CYS 93 H CYS 93 11.532 5.674 -8.491 535 HA CYS 93 HA CYS 93 11.720 6.975 -6.026 536 HB2 CYS 93 HB2 CYS 93 13.558 6.634 -7.791 537 HB3 CYS 93 HB3 CYS 93 12.877 8.042 -8.596 538 H LYS 94 H LYS 94 10.855 8.767 -5.317 539 HA LYS 94 HA LYS 94 9.170 10.355 -7.136 540 HB2 LYS 94 HB2 LYS 94 7.702 10.657 -5.030 541 HB3 LYS 94 HB3 LYS 94 7.584 9.154 -5.933 542 HG2 LYS 94 HG2 LYS 94 9.067 8.067 -4.324 543 HG3 LYS 94 HG3 LYS 94 9.170 9.572 -3.404 544 HD2 LYS 94 HD2 LYS 94 6.717 9.495 -3.071 545 HD3 LYS 94 HD3 LYS 94 6.675 7.950 -3.921 546 HE2 LYS 94 HE2 LYS 94 8.046 6.926 -2.226 547 HE3 LYS 94 HE3 LYS 94 8.269 8.478 -1.417 548 HZ1 LYS 94 HZ1 LYS 94 6.581 7.036 -0.371 549 HZ2 LYS 94 HZ2 LYS 94 5.641 7.147 -1.771 550 HZ3 LYS 94 HZ3 LYS 94 5.962 8.534 -0.860 551 H CYS 95 H CYS 95 11.759 10.956 -6.584 552 HA CYS 95 HA CYS 95 11.675 13.108 -4.589 553 HB2 CYS 95 HB2 CYS 95 14.082 11.808 -5.882 554 HB3 CYS 95 HB3 CYS 95 14.103 12.973 -4.563 555 H ASP 96 H ASP 96 13.373 14.898 -5.266 556 HA ASP 96 HA ASP 96 12.577 15.841 -7.909 557 HB2 ASP 96 HB2 ASP 96 13.216 18.032 -7.139 558 HB3 ASP 96 HB3 ASP 96 12.239 17.286 -5.880 559 H ARG 97 H ARG 97 14.735 17.617 -8.333 560 HA ARG 97 HA ARG 97 16.734 15.647 -9.159 561 HB2 ARG 97 HB2 ARG 97 16.496 18.516 -10.039 562 HB3 ARG 97 HB3 ARG 97 17.526 17.280 -10.742 563 HG2 ARG 97 HG2 ARG 97 15.355 16.031 -11.260 564 HG3 ARG 97 HG3 ARG 97 14.573 17.568 -10.856 565 HD2 ARG 97 HD2 ARG 97 15.681 18.729 -12.565 566 HD3 ARG 97 HD3 ARG 97 16.817 17.430 -12.846 567 HE ARG 97 HE ARG 97 15.392 17.146 -14.611 568 HH11 ARG 97 HH11 ARG 97 13.406 16.762 -11.715 569 HH12 ARG 97 HH12 ARG 97 11.945 16.614 -12.619 570 HH21 ARG 97 HH21 ARG 97 13.450 16.949 -15.753 571 HH22 ARG 97 HH22 ARG 97 11.955 16.732 -14.907 572 H SER 98 H SER 98 16.343 17.614 -6.591 573 HA SER 98 HA SER 98 19.205 18.286 -6.462 574 HB2 SER 98 HB2 SER 98 17.508 20.159 -6.293 575 HB3 SER 98 HB3 SER 98 16.994 19.453 -4.763 576 HG SER 98 HG SER 98 18.560 20.533 -3.893 577 H CYS 99 H CYS 99 17.387 15.794 -5.585 578 HA CYS 99 HA CYS 99 17.985 15.637 -2.800 579 HB2 CYS 99 HB2 CYS 99 16.056 14.435 -3.991 580 HB3 CYS 99 HB3 CYS 99 17.268 13.274 -4.515 581 H SER 100 H SER 100 19.063 13.510 -2.033 582 HA SER 100 HA SER 100 21.814 13.781 -2.655 583 HB2 SER 100 HB2 SER 100 20.420 11.652 -1.042 584 HB3 SER 100 HB3 SER 100 22.140 12.050 -0.985 585 HG SER 100 HG SER 100 20.532 14.229 -0.588 586 H CYS 101 H CYS 101 19.318 11.772 -3.931 587 HA CYS 101 HA CYS 101 20.978 9.608 -4.774 588 HB2 CYS 101 HB2 CYS 101 18.992 8.989 -6.127 589 HB3 CYS 101 HB3 CYS 101 18.636 9.244 -4.418 590 H LYS 102 H LYS 102 20.052 12.699 -6.131 591 HA LYS 102 HA LYS 102 21.057 11.984 -8.767 592 HB2 LYS 102 HB2 LYS 102 20.034 14.603 -7.655 593 HB3 LYS 102 HB3 LYS 102 20.610 14.404 -9.299 594 HG2 LYS 102 HG2 LYS 102 18.229 13.024 -8.059 595 HG3 LYS 102 HG3 LYS 102 18.187 14.361 -9.205 596 HD2 LYS 102 HD2 LYS 102 19.208 11.566 -9.728 597 HD3 LYS 102 HD3 LYS 102 17.722 12.275 -10.350 598 HE2 LYS 102 HE2 LYS 102 20.509 13.250 -10.970 599 HE3 LYS 102 HE3 LYS 102 19.543 12.215 -12.015 600 HZ1 LYS 102 HZ1 LYS 102 18.814 14.964 -11.165 601 HZ2 LYS 102 HZ2 LYS 102 17.914 13.981 -12.209 602 HZ3 LYS 102 HZ3 LYS 102 19.438 14.540 -12.673 Start of MODEL 8 1 HA2 GLY 1 HA2 GLY 1 23.241 14.525 -1.826 2 HA3 GLY 1 HA3 GLY 1 22.446 13.315 -2.824 3 H SER 2 H SER 2 21.109 12.285 -0.287 4 HA SER 2 HA SER 2 18.638 13.482 -0.594 5 HB2 SER 2 HB2 SER 2 18.161 12.471 1.705 6 HB3 SER 2 HB3 SER 2 18.714 11.361 0.449 7 HG SER 2 HG SER 2 20.468 12.586 2.323 8 H MET 3 H MET 3 17.600 15.179 0.273 9 HA MET 3 HA MET 3 19.214 17.164 1.566 10 HB2 MET 3 HB2 MET 3 16.279 17.238 0.855 11 HB3 MET 3 HB3 MET 3 17.253 18.614 1.358 12 HG2 MET 3 HG2 MET 3 18.703 18.187 -0.638 13 HG3 MET 3 HG3 MET 3 17.510 17.011 -1.168 14 HE1 MET 3 HE1 MET 3 16.909 19.922 -3.654 15 HE2 MET 3 HE2 MET 3 17.150 18.185 -3.472 16 HE3 MET 3 HE3 MET 3 18.435 19.306 -3.023 17 H SER 4 H SER 4 19.689 16.696 3.609 18 HA SER 4 HA SER 4 17.993 15.435 5.448 19 HB2 SER 4 HB2 SER 4 20.433 15.547 5.753 20 HB3 SER 4 HB3 SER 4 20.331 17.293 5.973 21 HG SER 4 HG SER 4 20.012 16.868 7.990 22 H SER 5 H SER 5 16.152 16.169 6.168 23 HA SER 5 HA SER 5 14.496 17.490 6.902 24 HB2 SER 5 HB2 SER 5 16.665 19.437 7.726 25 HB3 SER 5 HB3 SER 5 15.034 19.315 8.391 26 HG SER 5 HG SER 5 16.788 17.117 8.440 27 H VAL 6 H VAL 6 14.017 17.648 4.642 28 HA VAL 6 HA VAL 6 14.751 19.868 3.078 29 HB VAL 6 HB VAL 6 13.844 17.740 2.188 30 HG11 VAL 6 HG11 VAL 6 11.196 18.746 3.206 31 HG12 VAL 6 HG12 VAL 6 12.069 17.316 3.759 32 HG13 VAL 6 HG13 VAL 6 11.415 17.372 2.121 33 HG21 VAL 6 HG21 VAL 6 12.483 18.735 0.392 34 HG22 VAL 6 HG22 VAL 6 13.910 19.706 0.756 35 HG23 VAL 6 HG23 VAL 6 12.326 20.210 1.346 36 H PHE 7 H PHE 7 12.274 19.377 5.455 37 HA PHE 7 HA PHE 7 10.798 21.742 4.814 38 HB2 PHE 7 HB2 PHE 7 9.612 21.298 6.958 39 HB3 PHE 7 HB3 PHE 7 9.628 19.900 5.887 40 HD1 PHE 7 HD1 PHE 7 10.621 21.226 9.097 41 HD2 PHE 7 HD2 PHE 7 11.144 17.985 6.391 42 HE1 PHE 7 HE1 PHE 7 11.562 19.868 10.913 43 HE2 PHE 7 HE2 PHE 7 12.089 16.623 8.204 44 HZ PHE 7 HZ PHE 7 12.299 17.561 10.468 45 H GLY 8 H GLY 8 10.746 23.642 6.002 46 HA2 GLY 8 HA2 GLY 8 13.291 24.425 7.090 47 HA3 GLY 8 HA3 GLY 8 11.878 25.446 6.873 48 H ALA 9 H ALA 9 11.590 26.374 8.738 49 HA ALA 9 HA ALA 9 11.230 24.666 11.089 50 HB1 ALA 9 HB1 ALA 9 12.622 27.337 11.016 51 HB2 ALA 9 HB2 ALA 9 13.369 25.774 11.344 52 HB3 ALA 9 HB3 ALA 9 12.201 26.450 12.479 53 H GLY 10 H GLY 10 9.142 24.934 9.967 54 HA2 GLY 10 HA2 GLY 10 7.144 25.878 11.269 55 HA3 GLY 10 HA3 GLY 10 7.783 27.426 10.724 56 H CYS 11 H CYS 11 7.711 24.401 8.886 57 HA CYS 11 HA CYS 11 6.519 25.728 6.685 58 HB2 CYS 11 HB2 CYS 11 7.271 22.883 7.232 59 HB3 CYS 11 HB3 CYS 11 6.354 23.322 5.796 60 H THR 12 H THR 12 4.521 25.532 5.855 61 HA THR 12 HA THR 12 2.416 24.822 7.623 62 HB THR 12 HB THR 12 1.147 25.328 5.374 63 HG1 THR 12 HG1 THR 12 2.946 25.317 3.982 64 HG21 THR 12 HG21 THR 12 1.152 26.815 7.325 65 HG22 THR 12 HG22 THR 12 1.322 27.734 5.826 66 HG23 THR 12 HG23 THR 12 2.730 27.440 6.839 67 H ASP 13 H ASP 13 0.912 23.102 7.169 68 HA ASP 13 HA ASP 13 2.187 20.771 6.186 69 HB2 ASP 13 HB2 ASP 13 -0.644 21.304 7.053 70 HB3 ASP 13 HB3 ASP 13 -0.118 19.724 6.472 71 H VAL 14 H VAL 14 0.602 23.270 4.636 72 HA VAL 14 HA VAL 14 -0.405 21.902 2.378 73 HB VAL 14 HB VAL 14 -0.910 24.329 3.054 74 HG11 VAL 14 HG11 VAL 14 0.516 26.059 2.077 75 HG12 VAL 14 HG12 VAL 14 1.698 24.821 1.651 76 HG13 VAL 14 HG13 VAL 14 1.331 25.145 3.349 77 HG21 VAL 14 HG21 VAL 14 -1.196 25.098 0.744 78 HG22 VAL 14 HG22 VAL 14 -1.714 23.428 0.966 79 HG23 VAL 14 HG23 VAL 14 -0.164 23.779 0.193 80 H CYS 15 H CYS 15 2.768 22.809 3.435 81 HA CYS 15 HA CYS 15 4.055 22.733 0.867 82 HB2 CYS 15 HB2 CYS 15 4.872 24.073 2.821 83 HB3 CYS 15 HB3 CYS 15 5.247 22.575 3.654 84 H LYS 16 H LYS 16 3.422 20.477 3.484 85 HA LYS 16 HA LYS 16 5.198 18.448 2.449 86 HB2 LYS 16 HB2 LYS 16 3.139 18.248 4.649 87 HB3 LYS 16 HB3 LYS 16 4.442 17.113 4.328 88 HG2 LYS 16 HG2 LYS 16 6.089 18.647 5.028 89 HG3 LYS 16 HG3 LYS 16 4.946 19.992 5.013 90 HD2 LYS 16 HD2 LYS 16 3.721 18.309 6.729 91 HD3 LYS 16 HD3 LYS 16 5.417 17.933 7.064 92 HE2 LYS 16 HE2 LYS 16 5.891 20.243 7.541 93 HE3 LYS 16 HE3 LYS 16 4.292 20.729 6.974 94 HZ1 LYS 16 HZ1 LYS 16 4.751 18.958 9.317 95 HZ2 LYS 16 HZ2 LYS 16 3.277 19.635 8.824 96 HZ3 LYS 16 HZ3 LYS 16 4.507 20.624 9.431 97 H GLN 17 H GLN 17 2.317 19.525 1.419 98 HA GLN 17 HA GLN 17 0.787 17.161 1.049 99 HB2 GLN 17 HB2 GLN 17 0.771 19.780 -0.431 100 HB3 GLN 17 HB3 GLN 17 -0.320 18.466 -0.834 101 HG2 GLN 17 HG2 GLN 17 -1.025 18.572 1.624 102 HG3 GLN 17 HG3 GLN 17 -0.215 20.138 1.637 103 HE21 GLN 17 HE21 GLN 17 -1.015 21.775 0.272 104 HE22 GLN 17 HE22 GLN 17 -2.650 21.752 -0.298 105 H THR 18 H THR 18 0.118 16.739 -1.431 106 HA THR 18 HA THR 18 2.513 16.374 -3.055 107 HB THR 18 HB THR 18 0.694 14.022 -2.516 108 HG1 THR 18 HG1 THR 18 2.804 15.036 -1.028 109 HG21 THR 18 HG21 THR 18 1.975 13.988 -4.616 110 HG22 THR 18 HG22 THR 18 2.544 12.748 -3.500 111 HG23 THR 18 HG23 THR 18 3.466 14.236 -3.709 112 HA PRO 19 HA PRO 19 3.076 17.021 -4.819 113 HB2 PRO 19 HB2 PRO 19 2.870 19.192 -6.417 114 HB3 PRO 19 HB3 PRO 19 2.817 17.544 -7.058 115 HG2 PRO 19 HG2 PRO 19 0.554 19.414 -6.459 116 HG3 PRO 19 HG3 PRO 19 0.803 18.382 -7.879 117 HD2 PRO 19 HD2 PRO 19 -0.849 17.694 -5.842 118 HD3 PRO 19 HD3 PRO 19 0.049 16.493 -6.793 119 H CYS 20 H CYS 20 4.252 19.190 -4.426 120 HA CYS 20 HA CYS 20 3.671 20.207 -1.929 121 HB2 CYS 20 HB2 CYS 20 5.842 20.499 -3.074 122 HB3 CYS 20 HB3 CYS 20 5.087 21.646 -4.172 123 H GLY 21 H GLY 21 2.037 21.261 -1.230 124 HA2 GLY 21 HA2 GLY 21 0.153 22.457 -2.988 125 HA3 GLY 21 HA3 GLY 21 0.071 22.412 -1.236 126 H CYS 22 H CYS 22 2.989 23.648 -1.583 127 HA CYS 22 HA CYS 22 2.147 26.326 -1.170 128 HB2 CYS 22 HB2 CYS 22 4.845 25.082 -1.595 129 HB3 CYS 22 HB3 CYS 22 4.618 26.817 -1.381 130 H ALA 23 H ALA 23 2.853 24.502 -3.973 131 HA ALA 23 HA ALA 23 3.196 26.940 -5.545 132 HB1 ALA 23 HB1 ALA 23 4.868 25.186 -5.881 133 HB2 ALA 23 HB2 ALA 23 3.938 25.472 -7.352 134 HB3 ALA 23 HB3 ALA 23 3.592 24.062 -6.351 135 H THR 24 H THR 24 0.943 24.472 -4.818 136 HA THR 24 HA THR 24 -0.657 25.078 -7.169 137 HB THR 24 HB THR 24 -2.028 23.164 -6.376 138 HG1 THR 24 HG1 THR 24 -1.167 21.898 -4.685 139 HG21 THR 24 HG21 THR 24 0.915 22.625 -6.683 140 HG22 THR 24 HG22 THR 24 -0.233 22.841 -8.007 141 HG23 THR 24 HG23 THR 24 -0.371 21.444 -6.934 142 H SER 25 H SER 25 -0.736 25.224 -3.663 143 HA SER 25 HA SER 25 -3.393 26.463 -3.743 144 HB2 SER 25 HB2 SER 25 -2.806 24.414 -2.250 145 HB3 SER 25 HB3 SER 25 -1.941 25.578 -1.263 146 HG SER 25 HG SER 25 -4.549 26.248 -1.959 147 H GLY 26 H GLY 26 -0.081 26.903 -2.541 148 HA2 GLY 26 HA2 GLY 26 0.375 29.474 -2.839 149 HA3 GLY 26 HA3 GLY 26 -0.785 29.550 -1.519 150 H CYS 27 H CYS 27 2.109 30.201 -1.733 151 HA CYS 27 HA CYS 27 3.419 28.277 0.002 152 HB2 CYS 27 HB2 CYS 27 4.455 29.560 -1.981 153 HB3 CYS 27 HB3 CYS 27 4.497 30.943 -0.896 154 H ASN 28 H ASN 28 3.528 28.487 2.223 155 HA ASN 28 HA ASN 28 3.074 31.133 3.396 156 HB2 ASN 28 HB2 ASN 28 0.869 30.002 3.099 157 HB3 ASN 28 HB3 ASN 28 1.424 28.726 4.171 158 HD21 ASN 28 HD21 ASN 28 0.036 29.021 5.796 159 HD22 ASN 28 HD22 ASN 28 -0.070 30.455 6.759 160 H CYS 29 H CYS 29 5.141 28.713 3.305 161 HA CYS 29 HA CYS 29 5.420 28.166 6.131 162 HB2 CYS 29 HB2 CYS 29 7.479 26.923 5.313 163 HB3 CYS 29 HB3 CYS 29 5.921 26.335 4.722 164 H THR 30 H THR 30 8.094 28.137 6.545 165 HA THR 30 HA THR 30 8.697 30.967 6.707 166 HB THR 30 HB THR 30 10.640 30.092 8.134 167 HG1 THR 30 HG1 THR 30 9.477 27.802 8.814 168 HG21 THR 30 HG21 THR 30 8.607 31.034 9.125 169 HG22 THR 30 HG22 THR 30 9.195 29.669 10.077 170 HG23 THR 30 HG23 THR 30 7.815 29.463 9.001 171 H ASP 31 H ASP 31 11.059 31.586 6.359 172 HA ASP 31 HA ASP 31 11.805 30.727 3.714 173 HB2 ASP 31 HB2 ASP 31 12.887 32.814 5.588 174 HB3 ASP 31 HB3 ASP 31 13.741 32.383 4.111 175 H ASP 32 H ASP 32 12.321 29.459 6.658 176 HA ASP 32 HA ASP 32 15.034 28.557 6.313 177 HB2 ASP 32 HB2 ASP 32 12.836 27.642 8.191 178 HB3 ASP 32 HB3 ASP 32 14.478 27.011 8.219 179 H CYS 33 H CYS 33 12.061 27.788 4.989 180 HA CYS 33 HA CYS 33 12.123 25.029 4.633 181 HB2 CYS 33 HB2 CYS 33 10.138 26.313 4.106 182 HB3 CYS 33 HB3 CYS 33 11.018 27.239 2.898 183 H LYS 34 H LYS 34 13.402 23.735 3.475 184 HA LYS 34 HA LYS 34 15.214 24.954 1.507 185 HB2 LYS 34 HB2 LYS 34 15.443 22.431 3.142 186 HB3 LYS 34 HB3 LYS 34 16.567 22.840 1.847 187 HG2 LYS 34 HG2 LYS 34 17.025 24.985 3.165 188 HG3 LYS 34 HG3 LYS 34 16.161 24.209 4.496 189 HD2 LYS 34 HD2 LYS 34 18.659 23.173 3.120 190 HD3 LYS 34 HD3 LYS 34 18.564 23.845 4.749 191 HE2 LYS 34 HE2 LYS 34 17.219 22.003 5.495 192 HE3 LYS 34 HE3 LYS 34 17.057 21.391 3.852 193 HZ1 LYS 34 HZ1 LYS 34 19.609 21.554 5.355 194 HZ2 LYS 34 HZ2 LYS 34 19.394 20.885 3.820 195 HZ3 LYS 34 HZ3 LYS 34 18.679 20.155 5.168 196 H CYS 35 H CYS 35 12.365 23.966 1.207 197 HA CYS 35 HA CYS 35 12.582 21.617 -0.424 198 HB2 CYS 35 HB2 CYS 35 10.598 22.099 0.997 199 HB3 CYS 35 HB3 CYS 35 10.225 23.466 -0.047 200 H GLN 36 H GLN 36 12.629 21.488 -2.581 201 HA GLN 36 HA GLN 36 13.334 23.878 -4.058 202 HB2 GLN 36 HB2 GLN 36 13.082 21.083 -5.147 203 HB3 GLN 36 HB3 GLN 36 14.042 22.408 -5.785 204 HG2 GLN 36 HG2 GLN 36 14.535 20.955 -3.201 205 HG3 GLN 36 HG3 GLN 36 15.422 20.736 -4.709 206 HE21 GLN 36 HE21 GLN 36 16.279 21.614 -2.026 207 HE22 GLN 36 HE22 GLN 36 17.062 23.135 -2.281 208 H SER 37 H SER 37 10.492 22.332 -3.369 209 HA SER 37 HA SER 37 9.279 22.377 -5.959 210 HB2 SER 37 HB2 SER 37 7.811 22.237 -3.340 211 HB3 SER 37 HB3 SER 37 7.354 21.539 -4.894 212 HG SER 37 HG SER 37 8.942 20.538 -2.923 213 H CYS 38 H CYS 38 8.921 24.322 -3.005 214 HA CYS 38 HA CYS 38 7.317 26.205 -4.477 215 HB2 CYS 38 HB2 CYS 38 7.272 27.385 -2.199 216 HB3 CYS 38 HB3 CYS 38 6.472 25.829 -2.339 217 H LYS 39 H LYS 39 10.569 25.711 -3.857 218 HA LYS 39 HA LYS 39 11.200 28.548 -4.290 219 HB2 LYS 39 HB2 LYS 39 12.778 26.309 -3.037 220 HB3 LYS 39 HB3 LYS 39 13.596 27.722 -3.681 221 HG2 LYS 39 HG2 LYS 39 13.221 27.880 -1.257 222 HG3 LYS 39 HG3 LYS 39 12.394 29.165 -2.139 223 HD2 LYS 39 HD2 LYS 39 10.301 27.947 -1.980 224 HD3 LYS 39 HD3 LYS 39 11.117 26.613 -1.172 225 HE2 LYS 39 HE2 LYS 39 11.657 28.063 0.711 226 HE3 LYS 39 HE3 LYS 39 10.898 29.428 -0.109 227 HZ1 LYS 39 HZ1 LYS 39 9.503 26.947 0.774 228 HZ2 LYS 39 HZ2 LYS 39 8.783 28.244 -0.026 229 HZ3 LYS 39 HZ3 LYS 39 9.403 28.460 1.528 230 H TYR 40 H TYR 40 10.244 27.456 -6.418 231 HA TYR 40 HA TYR 40 11.973 26.056 -8.111 232 HB2 TYR 40 HB2 TYR 40 10.491 26.776 -9.930 233 HB3 TYR 40 HB3 TYR 40 9.569 26.228 -8.537 234 HD1 TYR 40 HD1 TYR 40 10.163 28.920 -10.830 235 HD2 TYR 40 HD2 TYR 40 8.556 27.998 -7.001 236 HE1 TYR 40 HE1 TYR 40 8.907 31.027 -10.855 237 HE2 TYR 40 HE2 TYR 40 7.296 30.110 -7.017 238 HH TYR 40 HH TYR 40 6.896 31.973 -9.819 239 H GLY 41 H GLY 41 12.600 27.114 -10.327 240 HA2 GLY 41 HA2 GLY 41 13.538 29.105 -11.344 241 HA3 GLY 41 HA3 GLY 41 14.041 29.614 -9.738 242 H ALA 42 H ALA 42 15.007 27.046 -8.908 243 HA ALA 42 HA ALA 42 17.414 26.896 -10.598 244 HB1 ALA 42 HB1 ALA 42 17.167 26.352 -7.642 245 HB2 ALA 42 HB2 ALA 42 17.844 27.807 -8.372 246 HB3 ALA 42 HB3 ALA 42 18.647 26.253 -8.595 247 H GLY 43 H GLY 43 14.686 25.237 -10.026 248 HA2 GLY 43 HA2 GLY 43 15.996 22.708 -10.667 249 HA3 GLY 43 HA3 GLY 43 14.941 22.747 -9.273 250 H CYS 44 H CYS 44 13.416 24.782 -11.153 251 HA CYS 44 HA CYS 44 11.891 22.665 -12.510 252 HB2 CYS 44 HB2 CYS 44 10.932 24.690 -10.551 253 HB3 CYS 44 HB3 CYS 44 9.855 24.221 -11.858 254 H THR 45 H THR 45 9.928 23.994 -13.612 255 HA THR 45 HA THR 45 10.815 26.360 -14.976 256 HB THR 45 HB THR 45 11.770 24.578 -16.402 257 HG1 THR 45 HG1 THR 45 11.182 25.791 -18.022 258 HG21 THR 45 HG21 THR 45 8.931 23.545 -16.544 259 HG22 THR 45 HG22 THR 45 10.303 22.735 -15.791 260 HG23 THR 45 HG23 THR 45 10.270 22.973 -17.538 261 H ASP 46 H ASP 46 8.926 26.867 -16.619 262 HA ASP 46 HA ASP 46 6.543 26.975 -15.020 263 HB2 ASP 46 HB2 ASP 46 7.144 27.946 -17.814 264 HB3 ASP 46 HB3 ASP 46 5.579 28.161 -17.038 265 H THR 47 H THR 47 7.775 24.752 -17.187 266 HA THR 47 HA THR 47 5.295 23.814 -18.281 267 HB THR 47 HB THR 47 7.752 22.118 -18.282 268 HG1 THR 47 HG1 THR 47 7.496 24.678 -19.477 269 HG21 THR 47 HG21 THR 47 5.749 21.412 -19.499 270 HG22 THR 47 HG22 THR 47 7.068 21.765 -20.616 271 HG23 THR 47 HG23 THR 47 5.757 22.927 -20.405 272 H CYS 48 H CYS 48 7.182 23.189 -15.434 273 HA CYS 48 HA CYS 48 6.065 20.562 -14.980 274 HB2 CYS 48 HB2 CYS 48 8.401 21.150 -14.323 275 HB3 CYS 48 HB3 CYS 48 7.753 22.263 -13.127 276 H LYS 49 H LYS 49 5.715 23.806 -13.553 277 HA LYS 49 HA LYS 49 3.878 22.915 -11.540 278 HB2 LYS 49 HB2 LYS 49 3.579 25.477 -11.272 279 HB3 LYS 49 HB3 LYS 49 5.100 24.718 -10.826 280 HG2 LYS 49 HG2 LYS 49 6.209 25.553 -12.705 281 HG3 LYS 49 HG3 LYS 49 4.701 25.908 -13.547 282 HD2 LYS 49 HD2 LYS 49 5.938 27.885 -12.649 283 HD3 LYS 49 HD3 LYS 49 4.253 27.763 -12.134 284 HE2 LYS 49 HE2 LYS 49 5.154 26.632 -10.031 285 HE3 LYS 49 HE3 LYS 49 6.750 27.168 -10.552 286 HZ1 LYS 49 HZ1 LYS 49 4.417 28.907 -9.975 287 HZ2 LYS 49 HZ2 LYS 49 5.918 29.455 -10.523 288 HZ3 LYS 49 HZ3 LYS 49 5.787 28.723 -9.003 289 H GLN 50 H GLN 50 3.234 22.780 -14.563 290 HA GLN 50 HA GLN 50 1.001 24.473 -15.000 291 HB2 GLN 50 HB2 GLN 50 1.627 21.825 -16.267 292 HB3 GLN 50 HB3 GLN 50 0.467 23.005 -16.876 293 HG2 GLN 50 HG2 GLN 50 2.520 24.595 -16.851 294 HG3 GLN 50 HG3 GLN 50 3.436 23.095 -16.846 295 HE21 GLN 50 HE21 GLN 50 3.342 25.093 -18.857 296 HE22 GLN 50 HE22 GLN 50 2.753 24.348 -20.301 297 H THR 51 H THR 51 1.324 21.268 -13.606 298 HA THR 51 HA THR 51 -0.052 20.043 -12.280 299 HB THR 51 HB THR 51 -2.096 22.273 -12.445 300 HG1 THR 51 HG1 THR 51 0.335 22.455 -11.517 301 HG21 THR 51 HG21 THR 51 -2.926 20.163 -11.507 302 HG22 THR 51 HG22 THR 51 -2.792 21.395 -10.250 303 HG23 THR 51 HG23 THR 51 -1.573 20.128 -10.376 304 HA PRO 52 HA PRO 52 -0.541 18.072 -12.078 305 HB2 PRO 52 HB2 PRO 52 0.017 16.056 -14.155 306 HB3 PRO 52 HB3 PRO 52 -0.751 15.850 -12.579 307 HG2 PRO 52 HG2 PRO 52 -2.158 15.671 -14.855 308 HG3 PRO 52 HG3 PRO 52 -2.852 16.374 -13.383 309 HD2 PRO 52 HD2 PRO 52 -1.735 17.759 -15.795 310 HD3 PRO 52 HD3 PRO 52 -3.206 18.123 -14.868 311 H CYS 53 H CYS 53 0.597 17.724 -15.431 312 HA CYS 53 HA CYS 53 2.897 19.333 -14.914 313 HB2 CYS 53 HB2 CYS 53 3.426 17.037 -13.945 314 HB3 CYS 53 HB3 CYS 53 3.368 16.453 -15.599 315 H GLY 54 H GLY 54 3.637 20.213 -16.816 316 HA2 GLY 54 HA2 GLY 54 2.347 19.176 -19.240 317 HA3 GLY 54 HA3 GLY 54 2.952 20.811 -19.021 318 H CYS 55 H CYS 55 5.313 18.930 -17.710 319 HA CYS 55 HA CYS 55 7.027 19.322 -19.922 320 HB2 CYS 55 HB2 CYS 55 7.346 17.844 -17.323 321 HB3 CYS 55 HB3 CYS 55 8.642 17.981 -18.506 322 H GLY 56 H GLY 56 6.361 16.243 -18.252 323 HA2 GLY 56 HA2 GLY 56 6.163 14.100 -19.068 324 HA3 GLY 56 HA3 GLY 56 5.585 14.818 -20.567 325 H SER 57 H SER 57 6.852 14.684 -22.315 326 HA SER 57 HA SER 57 9.598 13.744 -21.939 327 HB2 SER 57 HB2 SER 57 8.066 12.453 -23.461 328 HB3 SER 57 HB3 SER 57 7.980 13.871 -24.503 329 HG SER 57 HG SER 57 9.621 12.102 -24.932 330 H GLY 58 H GLY 58 7.899 16.531 -22.360 331 HA2 GLY 58 HA2 GLY 58 10.086 17.873 -23.824 332 HA3 GLY 58 HA3 GLY 58 8.420 18.445 -23.775 333 H CYS 59 H CYS 59 10.999 17.552 -21.569 334 HA CYS 59 HA CYS 59 9.991 19.363 -19.568 335 HB2 CYS 59 HB2 CYS 59 10.687 17.303 -18.733 336 HB3 CYS 59 HB3 CYS 59 12.186 17.319 -19.657 337 H ASN 60 H ASN 60 11.019 21.154 -18.783 338 HA ASN 60 HA ASN 60 13.441 22.070 -20.172 339 HB2 ASN 60 HB2 ASN 60 10.947 23.736 -19.717 340 HB3 ASN 60 HB3 ASN 60 12.484 24.369 -20.290 341 HD21 ASN 60 HD21 ASN 60 9.625 22.634 -21.096 342 HD22 ASN 60 HD22 ASN 60 9.919 22.502 -22.794 343 H CYS 61 H CYS 61 12.749 20.956 -17.457 344 HA CYS 61 HA CYS 61 12.929 23.079 -15.577 345 HB2 CYS 61 HB2 CYS 61 13.232 20.106 -15.392 346 HB3 CYS 61 HB3 CYS 61 13.646 21.127 -14.019 347 H LYS 62 H LYS 62 14.787 22.559 -13.778 348 HA LYS 62 HA LYS 62 17.229 23.244 -15.209 349 HB2 LYS 62 HB2 LYS 62 16.518 23.577 -12.286 350 HB3 LYS 62 HB3 LYS 62 17.989 24.152 -13.028 351 HG2 LYS 62 HG2 LYS 62 15.344 25.120 -14.034 352 HG3 LYS 62 HG3 LYS 62 16.018 25.786 -12.550 353 HD2 LYS 62 HD2 LYS 62 16.671 27.246 -14.321 354 HD3 LYS 62 HD3 LYS 62 18.107 26.325 -13.877 355 HE2 LYS 62 HE2 LYS 62 17.822 24.884 -15.761 356 HE3 LYS 62 HE3 LYS 62 16.276 25.638 -16.158 357 HZ1 LYS 62 HZ1 LYS 62 17.416 27.670 -16.672 358 HZ2 LYS 62 HZ2 LYS 62 18.151 26.417 -17.539 359 HZ3 LYS 62 HZ3 LYS 62 18.888 27.036 -16.153 360 H GLU 63 H GLU 63 17.215 21.963 -11.958 361 HA GLU 63 HA GLU 63 17.892 19.294 -12.816 362 HB2 GLU 63 HB2 GLU 63 19.920 21.124 -11.591 363 HB3 GLU 63 HB3 GLU 63 20.009 19.390 -11.319 364 HG2 GLU 63 HG2 GLU 63 19.889 19.248 -13.906 365 HG3 GLU 63 HG3 GLU 63 20.377 20.940 -13.842 366 H ASP 64 H ASP 64 17.478 21.596 -10.212 367 HA ASP 64 HA ASP 64 17.216 19.569 -8.222 368 HB2 ASP 64 HB2 ASP 64 17.029 22.546 -8.291 369 HB3 ASP 64 HB3 ASP 64 16.473 21.679 -6.878 370 H CYS 65 H CYS 65 15.463 18.863 -10.036 371 HA CYS 65 HA CYS 65 12.827 19.853 -9.212 372 HB2 CYS 65 HB2 CYS 65 13.192 19.670 -11.628 373 HB3 CYS 65 HB3 CYS 65 13.614 17.972 -11.454 374 H ARG 66 H ARG 66 11.305 18.513 -8.272 375 HA ARG 66 HA ARG 66 12.419 16.022 -7.158 376 HB2 ARG 66 HB2 ARG 66 10.172 17.639 -5.995 377 HB3 ARG 66 HB3 ARG 66 11.098 16.358 -5.224 378 HG2 ARG 66 HG2 ARG 66 13.113 17.849 -5.524 379 HG3 ARG 66 HG3 ARG 66 11.957 19.156 -5.857 380 HD2 ARG 66 HD2 ARG 66 12.347 19.319 -3.569 381 HD3 ARG 66 HD3 ARG 66 10.852 18.378 -3.658 382 HE ARG 66 HE ARG 66 13.521 17.175 -3.351 383 HH11 ARG 66 HH11 ARG 66 10.137 17.332 -2.395 384 HH12 ARG 66 HH12 ARG 66 10.216 15.900 -1.430 385 HH21 ARG 66 HH21 ARG 66 13.623 15.301 -2.128 386 HH22 ARG 66 HH22 ARG 66 12.234 14.708 -1.273 387 H CYS 67 H CYS 67 10.585 16.928 -9.556 388 HA CYS 67 HA CYS 67 8.273 15.269 -9.082 389 HB2 CYS 67 HB2 CYS 67 8.289 17.457 -10.388 390 HB3 CYS 67 HB3 CYS 67 9.097 16.566 -11.670 391 H GLN 68 H GLN 68 7.784 13.389 -10.345 392 HA GLN 68 HA GLN 68 10.214 12.080 -11.374 393 HB2 GLN 68 HB2 GLN 68 9.203 9.953 -10.789 394 HB3 GLN 68 HB3 GLN 68 9.272 11.003 -9.383 395 HG2 GLN 68 HG2 GLN 68 6.775 11.370 -10.727 396 HG3 GLN 68 HG3 GLN 68 7.046 9.656 -10.442 397 HE21 GLN 68 HE21 GLN 68 8.347 12.148 -8.364 398 HE22 GLN 68 HE22 GLN 68 7.333 11.806 -7.013 399 H SER 69 H SER 69 7.617 13.627 -12.526 400 HA SER 69 HA SER 69 6.676 11.677 -14.414 401 HB2 SER 69 HB2 SER 69 5.259 13.538 -15.216 402 HB3 SER 69 HB3 SER 69 5.141 13.365 -13.464 403 HG SER 69 HG SER 69 5.763 15.375 -13.370 404 H CYS 70 H CYS 70 8.603 14.627 -14.424 405 HA CYS 70 HA CYS 70 9.162 14.250 -17.241 406 HB2 CYS 70 HB2 CYS 70 9.973 16.584 -17.129 407 HB3 CYS 70 HB3 CYS 70 8.309 16.373 -16.620 408 H SER 71 H SER 71 10.743 14.146 -14.134 409 HA SER 71 HA SER 71 13.394 14.504 -14.925 410 HB2 SER 71 HB2 SER 71 12.285 12.812 -12.684 411 HB3 SER 71 HB3 SER 71 13.979 13.279 -12.854 412 HG SER 71 HG SER 71 12.029 14.642 -11.713 413 H THR 72 H THR 72 15.038 13.116 -15.518 414 HA THR 72 HA THR 72 14.297 11.017 -17.251 415 HB THR 72 HB THR 72 16.316 12.432 -17.598 416 HG1 THR 72 HG1 THR 72 17.047 10.827 -18.751 417 HG21 THR 72 HG21 THR 72 17.481 10.781 -15.350 418 HG22 THR 72 HG22 THR 72 17.111 12.503 -15.277 419 HG23 THR 72 HG23 THR 72 18.370 11.917 -16.365 420 H ALA 73 H ALA 73 15.387 8.866 -17.183 421 HA ALA 73 HA ALA 73 14.311 7.513 -14.933 422 HB1 ALA 73 HB1 ALA 73 14.932 5.481 -16.085 423 HB2 ALA 73 HB2 ALA 73 15.917 6.401 -17.224 424 HB3 ALA 73 HB3 ALA 73 14.166 6.612 -17.199 425 H CYS 74 H CYS 74 15.240 7.291 -13.116 426 HA CYS 74 HA CYS 74 17.974 7.523 -12.380 427 HB2 CYS 74 HB2 CYS 74 15.460 6.531 -11.178 428 HB3 CYS 74 HB3 CYS 74 17.000 6.051 -10.439 429 H LYS 75 H LYS 75 18.668 5.447 -10.939 430 HA LYS 75 HA LYS 75 18.797 3.193 -12.808 431 HB2 LYS 75 HB2 LYS 75 20.667 4.053 -10.610 432 HB3 LYS 75 HB3 LYS 75 20.757 2.463 -11.349 433 HG2 LYS 75 HG2 LYS 75 21.083 5.099 -12.773 434 HG3 LYS 75 HG3 LYS 75 22.379 3.988 -12.326 435 HD2 LYS 75 HD2 LYS 75 22.100 2.963 -14.304 436 HD3 LYS 75 HD3 LYS 75 20.499 2.461 -13.733 437 HE2 LYS 75 HE2 LYS 75 19.476 4.420 -14.662 438 HE3 LYS 75 HE3 LYS 75 21.044 5.117 -15.057 439 HZ1 LYS 75 HZ1 LYS 75 19.936 2.639 -16.256 440 HZ2 LYS 75 HZ2 LYS 75 21.390 3.398 -16.675 441 HZ3 LYS 75 HZ3 LYS 75 19.920 4.165 -16.985 442 H CYS 76 H CYS 76 16.770 3.997 -10.562 443 HA CYS 76 HA CYS 76 16.955 1.689 -8.866 444 HB2 CYS 76 HB2 CYS 76 14.492 3.438 -9.103 445 HB3 CYS 76 HB3 CYS 76 15.024 2.481 -7.727 446 H ALA 77 H ALA 77 16.111 -0.284 -9.344 447 HA ALA 77 HA ALA 77 13.717 -0.631 -10.865 448 HB1 ALA 77 HB1 ALA 77 14.655 -1.669 -12.847 449 HB2 ALA 77 HB2 ALA 77 16.286 -1.365 -12.250 450 HB3 ALA 77 HB3 ALA 77 15.244 -0.010 -12.693 451 H ALA 78 H ALA 78 12.896 -2.647 -10.669 452 HA ALA 78 HA ALA 78 12.572 -4.727 -9.824 453 HB1 ALA 78 HB1 ALA 78 13.979 -5.273 -11.750 454 HB2 ALA 78 HB2 ALA 78 14.232 -6.403 -10.419 455 HB3 ALA 78 HB3 ALA 78 15.417 -5.135 -10.737 456 H GLY 79 H GLY 79 12.721 -3.327 -7.747 457 HA2 GLY 79 HA2 GLY 79 13.234 -3.287 -5.505 458 HA3 GLY 79 HA3 GLY 79 13.812 -4.930 -5.726 459 H SER 80 H SER 80 14.988 -1.798 -6.982 460 HA SER 80 HA SER 80 17.426 -2.179 -5.460 461 HB2 SER 80 HB2 SER 80 17.592 -3.262 -7.810 462 HB3 SER 80 HB3 SER 80 17.640 -1.602 -8.384 463 HG SER 80 HG SER 80 19.493 -2.955 -6.757 464 H CYS 81 H CYS 81 16.842 -0.352 -4.347 465 HA CYS 81 HA CYS 81 17.214 2.161 -5.808 466 HB2 CYS 81 HB2 CYS 81 15.184 2.247 -4.519 467 HB3 CYS 81 HB3 CYS 81 15.982 1.592 -3.097 468 H LYS 82 H LYS 82 18.682 3.677 -4.748 469 HA LYS 82 HA LYS 82 20.631 2.338 -3.033 470 HB2 LYS 82 HB2 LYS 82 22.400 3.607 -4.310 471 HB3 LYS 82 HB3 LYS 82 21.645 2.254 -5.136 472 HG2 LYS 82 HG2 LYS 82 20.091 4.016 -6.166 473 HG3 LYS 82 HG3 LYS 82 21.306 5.168 -5.603 474 HD2 LYS 82 HD2 LYS 82 23.020 3.833 -6.764 475 HD3 LYS 82 HD3 LYS 82 21.719 2.859 -7.446 476 HE2 LYS 82 HE2 LYS 82 20.851 4.710 -8.649 477 HE3 LYS 82 HE3 LYS 82 21.885 5.843 -7.781 478 HZ1 LYS 82 HZ1 LYS 82 22.851 3.729 -9.631 479 HZ2 LYS 82 HZ2 LYS 82 23.808 4.867 -8.828 480 HZ3 LYS 82 HZ3 LYS 82 22.719 5.375 -10.010 481 H CYS 83 H CYS 83 18.439 4.146 -2.558 482 HA CYS 83 HA CYS 83 19.914 6.331 -1.251 483 HB2 CYS 83 HB2 CYS 83 18.604 7.428 -2.856 484 HB3 CYS 83 HB3 CYS 83 17.237 6.341 -2.619 485 H GLY 84 H GLY 84 17.179 4.094 -1.071 486 HA2 GLY 84 HA2 GLY 84 16.884 2.932 1.075 487 HA3 GLY 84 HA3 GLY 84 17.206 4.472 1.858 488 H LYS 85 H LYS 85 15.410 5.074 -0.850 489 HA LYS 85 HA LYS 85 12.991 5.364 0.740 490 HB2 LYS 85 HB2 LYS 85 13.671 6.343 -2.036 491 HB3 LYS 85 HB3 LYS 85 12.167 6.686 -1.196 492 HG2 LYS 85 HG2 LYS 85 14.903 7.508 -0.228 493 HG3 LYS 85 HG3 LYS 85 13.791 8.546 -1.118 494 HD2 LYS 85 HD2 LYS 85 13.180 7.259 1.552 495 HD3 LYS 85 HD3 LYS 85 13.739 8.919 1.345 496 HE2 LYS 85 HE2 LYS 85 11.756 9.445 0.031 497 HE3 LYS 85 HE3 LYS 85 11.205 7.775 0.162 498 HZ1 LYS 85 HZ1 LYS 85 11.571 9.645 2.435 499 HZ2 LYS 85 HZ2 LYS 85 11.002 8.058 2.541 500 HZ3 LYS 85 HZ3 LYS 85 10.092 9.231 1.734 501 H GLY 86 H GLY 86 14.336 3.255 -1.546 502 HA2 GLY 86 HA2 GLY 86 13.538 1.302 -2.453 503 HA3 GLY 86 HA3 GLY 86 12.123 1.491 -1.432 504 H CYS 87 H CYS 87 13.193 3.810 -3.854 505 HA CYS 87 HA CYS 87 10.700 4.131 -5.049 506 HB2 CYS 87 HB2 CYS 87 13.322 4.506 -6.475 507 HB3 CYS 87 HB3 CYS 87 11.823 5.403 -6.705 508 H THR 88 H THR 88 13.514 2.370 -6.273 509 HA THR 88 HA THR 88 13.806 0.714 -7.781 510 HB THR 88 HB THR 88 12.372 -1.234 -7.603 511 HG1 THR 88 HG1 THR 88 10.534 0.652 -6.651 512 HG21 THR 88 HG21 THR 88 12.812 0.177 -4.976 513 HG22 THR 88 HG22 THR 88 13.937 -0.896 -5.814 514 HG23 THR 88 HG23 THR 88 12.437 -1.537 -5.142 515 H GLY 89 H GLY 89 12.486 3.099 -8.738 516 HA2 GLY 89 HA2 GLY 89 12.054 2.580 -11.351 517 HA3 GLY 89 HA3 GLY 89 10.478 2.267 -10.630 518 HA PRO 90 HA PRO 90 11.677 6.935 -11.140 519 HB2 PRO 90 HB2 PRO 90 10.726 7.458 -13.655 520 HB3 PRO 90 HB3 PRO 90 12.411 7.068 -13.298 521 HG2 PRO 90 HG2 PRO 90 10.237 5.306 -14.340 522 HG3 PRO 90 HG3 PRO 90 11.946 5.376 -14.803 523 HD2 PRO 90 HD2 PRO 90 10.961 3.460 -13.165 524 HD3 PRO 90 HD3 PRO 90 12.614 4.085 -13.018 525 H ASP 91 H ASP 91 8.872 5.092 -12.259 526 HA ASP 91 HA ASP 91 7.020 7.258 -12.055 527 HB2 ASP 91 HB2 ASP 91 6.467 4.284 -12.079 528 HB3 ASP 91 HB3 ASP 91 5.278 5.553 -12.330 529 H SER 92 H SER 92 8.500 5.274 -9.764 530 HA SER 92 HA SER 92 6.535 6.087 -7.735 531 HB2 SER 92 HB2 SER 92 8.224 3.574 -7.755 532 HB3 SER 92 HB3 SER 92 7.073 4.039 -6.500 533 HG SER 92 HG SER 92 5.632 4.169 -8.564 534 H CYS 93 H CYS 93 9.086 7.214 -8.866 535 HA CYS 93 HA CYS 93 10.889 7.118 -6.600 536 HB2 CYS 93 HB2 CYS 93 11.563 7.000 -9.092 537 HB3 CYS 93 HB3 CYS 93 11.241 8.729 -9.121 538 H LYS 94 H LYS 94 10.138 8.336 -4.972 539 HA LYS 94 HA LYS 94 8.795 10.883 -5.456 540 HB2 LYS 94 HB2 LYS 94 9.372 9.422 -2.858 541 HB3 LYS 94 HB3 LYS 94 8.355 10.840 -3.026 542 HG2 LYS 94 HG2 LYS 94 7.711 8.310 -4.504 543 HG3 LYS 94 HG3 LYS 94 7.246 8.517 -2.817 544 HD2 LYS 94 HD2 LYS 94 5.969 10.520 -3.409 545 HD3 LYS 94 HD3 LYS 94 6.470 10.352 -5.093 546 HE2 LYS 94 HE2 LYS 94 4.253 9.475 -4.876 547 HE3 LYS 94 HE3 LYS 94 5.369 8.133 -5.133 548 HZ1 LYS 94 HZ1 LYS 94 5.284 7.596 -2.822 549 HZ2 LYS 94 HZ2 LYS 94 3.689 7.734 -3.374 550 HZ3 LYS 94 HZ3 LYS 94 4.378 8.977 -2.469 551 H CYS 95 H CYS 95 11.682 10.650 -6.035 552 HA CYS 95 HA CYS 95 12.739 12.476 -3.983 553 HB2 CYS 95 HB2 CYS 95 14.271 10.393 -5.535 554 HB3 CYS 95 HB3 CYS 95 14.955 11.507 -4.353 555 H ASP 96 H ASP 96 14.720 13.714 -4.757 556 HA ASP 96 HA ASP 96 14.066 15.376 -6.973 557 HB2 ASP 96 HB2 ASP 96 16.681 15.279 -5.503 558 HB3 ASP 96 HB3 ASP 96 15.970 16.651 -6.325 559 H ARG 97 H ARG 97 16.392 16.055 -8.115 560 HA ARG 97 HA ARG 97 17.349 13.636 -9.497 561 HB2 ARG 97 HB2 ARG 97 17.800 16.469 -10.391 562 HB3 ARG 97 HB3 ARG 97 17.947 14.998 -11.334 563 HG2 ARG 97 HG2 ARG 97 15.482 14.724 -11.133 564 HG3 ARG 97 HG3 ARG 97 15.446 16.319 -10.371 565 HD2 ARG 97 HD2 ARG 97 16.488 17.312 -12.319 566 HD3 ARG 97 HD3 ARG 97 16.567 15.732 -13.099 567 HE ARG 97 HE ARG 97 13.905 16.159 -12.489 568 HH11 ARG 97 HH11 ARG 97 16.376 17.710 -14.466 569 HH12 ARG 97 HH12 ARG 97 15.248 18.358 -15.609 570 HH21 ARG 97 HH21 ARG 97 12.392 17.042 -13.989 571 HH22 ARG 97 HH22 ARG 97 12.950 17.973 -15.329 572 H SER 98 H SER 98 18.072 15.490 -7.024 573 HA SER 98 HA SER 98 20.974 15.273 -7.385 574 HB2 SER 98 HB2 SER 98 21.088 17.364 -5.932 575 HB3 SER 98 HB3 SER 98 20.441 17.608 -7.556 576 HG SER 98 HG SER 98 18.964 18.602 -6.355 577 H CYS 99 H CYS 99 19.387 13.256 -6.353 578 HA CYS 99 HA CYS 99 19.527 13.561 -3.415 579 HB2 CYS 99 HB2 CYS 99 17.373 12.928 -4.811 580 HB3 CYS 99 HB3 CYS 99 18.081 11.319 -4.756 581 H SER 100 H SER 100 19.611 11.018 -2.521 582 HA SER 100 HA SER 100 22.344 10.361 -2.879 583 HB2 SER 100 HB2 SER 100 20.170 8.785 -1.487 584 HB3 SER 100 HB3 SER 100 21.905 8.512 -1.320 585 HG SER 100 HG SER 100 21.563 9.830 0.323 586 H CYS 101 H CYS 101 19.365 8.948 -4.071 587 HA CYS 101 HA CYS 101 20.723 6.811 -5.449 588 HB2 CYS 101 HB2 CYS 101 18.443 6.466 -6.445 589 HB3 CYS 101 HB3 CYS 101 18.428 6.457 -4.684 590 H LYS 102 H LYS 102 18.892 9.596 -6.117 591 HA LYS 102 HA LYS 102 20.358 11.008 -7.722 592 HB2 LYS 102 HB2 LYS 102 20.367 9.250 -9.323 593 HB3 LYS 102 HB3 LYS 102 18.594 9.309 -9.362 594 HG2 LYS 102 HG2 LYS 102 19.864 11.856 -9.496 595 HG3 LYS 102 HG3 LYS 102 20.224 10.867 -10.888 596 HD2 LYS 102 HD2 LYS 102 17.441 10.996 -9.900 597 HD3 LYS 102 HD3 LYS 102 18.086 12.412 -10.745 598 HE2 LYS 102 HE2 LYS 102 17.940 9.595 -11.787 599 HE3 LYS 102 HE3 LYS 102 16.942 10.955 -12.301 600 HZ1 LYS 102 HZ1 LYS 102 18.929 12.048 -13.143 601 HZ2 LYS 102 HZ2 LYS 102 18.764 10.521 -13.848 602 HZ3 LYS 102 HZ3 LYS 102 19.888 10.761 -12.626 Start of MODEL 9 1 HA2 GLY 1 HA2 GLY 1 18.653 11.809 7.207 2 HA3 GLY 1 HA3 GLY 1 18.246 12.666 8.685 3 H SER 2 H SER 2 19.727 14.693 6.454 4 HA SER 2 HA SER 2 17.408 16.286 6.118 5 HB2 SER 2 HB2 SER 2 20.007 16.445 4.584 6 HB3 SER 2 HB3 SER 2 18.823 17.736 4.804 7 HG SER 2 HG SER 2 20.065 18.207 6.453 8 H MET 3 H MET 3 18.720 13.654 4.338 9 HA MET 3 HA MET 3 17.507 14.224 1.823 10 HB2 MET 3 HB2 MET 3 19.414 12.669 2.074 11 HB3 MET 3 HB3 MET 3 18.387 11.570 2.984 12 HG2 MET 3 HG2 MET 3 16.994 11.216 1.026 13 HG3 MET 3 HG3 MET 3 17.963 12.369 0.111 14 HE1 MET 3 HE1 MET 3 19.315 9.711 2.711 15 HE2 MET 3 HE2 MET 3 19.571 8.321 1.657 16 HE3 MET 3 HE3 MET 3 17.937 8.912 1.955 17 H SER 4 H SER 4 16.461 12.782 4.786 18 HA SER 4 HA SER 4 13.939 11.902 3.618 19 HB2 SER 4 HB2 SER 4 14.920 11.694 6.479 20 HB3 SER 4 HB3 SER 4 13.509 10.890 5.790 21 HG SER 4 HG SER 4 14.868 9.340 5.413 22 H SER 5 H SER 5 15.079 13.913 6.330 23 HA SER 5 HA SER 5 12.552 15.325 6.401 24 HB2 SER 5 HB2 SER 5 15.052 15.812 8.040 25 HB3 SER 5 HB3 SER 5 13.421 16.384 8.393 26 HG SER 5 HG SER 5 13.011 13.912 8.261 27 H VAL 6 H VAL 6 12.725 16.204 4.302 28 HA VAL 6 HA VAL 6 14.898 18.006 3.711 29 HB VAL 6 HB VAL 6 13.817 16.472 2.040 30 HG11 VAL 6 HG11 VAL 6 11.494 16.838 2.641 31 HG12 VAL 6 HG12 VAL 6 11.767 17.204 0.939 32 HG13 VAL 6 HG13 VAL 6 11.603 18.516 2.107 33 HG21 VAL 6 HG21 VAL 6 13.948 18.103 0.195 34 HG22 VAL 6 HG22 VAL 6 15.286 18.251 1.331 35 HG23 VAL 6 HG23 VAL 6 13.957 19.410 1.379 36 H PHE 7 H PHE 7 12.023 18.258 5.364 37 HA PHE 7 HA PHE 7 11.280 20.901 4.570 38 HB2 PHE 7 HB2 PHE 7 9.887 20.809 6.718 39 HB3 PHE 7 HB3 PHE 7 9.506 19.620 5.476 40 HD1 PHE 7 HD1 PHE 7 11.075 20.134 8.767 41 HD2 PHE 7 HD2 PHE 7 9.813 17.285 5.869 42 HE1 PHE 7 HE1 PHE 7 11.357 18.334 10.418 43 HE2 PHE 7 HE2 PHE 7 10.093 15.481 7.515 44 HZ PHE 7 HZ PHE 7 10.865 16.003 9.792 45 H GLY 8 H GLY 8 11.322 22.748 6.041 46 HA2 GLY 8 HA2 GLY 8 13.935 23.107 7.186 47 HA3 GLY 8 HA3 GLY 8 12.639 24.287 7.109 48 H ALA 9 H ALA 9 12.737 24.974 9.160 49 HA ALA 9 HA ALA 9 12.358 22.987 11.297 50 HB1 ALA 9 HB1 ALA 9 13.203 25.871 11.494 51 HB2 ALA 9 HB2 ALA 9 14.286 24.483 11.518 52 HB3 ALA 9 HB3 ALA 9 13.123 24.715 12.824 53 H GLY 10 H GLY 10 10.976 25.786 9.754 54 HA2 GLY 10 HA2 GLY 10 8.635 25.497 11.519 55 HA3 GLY 10 HA3 GLY 10 9.200 27.055 10.936 56 H CYS 11 H CYS 11 8.708 23.925 9.251 57 HA CYS 11 HA CYS 11 7.483 25.254 7.094 58 HB2 CYS 11 HB2 CYS 11 7.809 22.358 7.783 59 HB3 CYS 11 HB3 CYS 11 6.867 22.868 6.389 60 H THR 12 H THR 12 5.290 25.096 6.405 61 HA THR 12 HA THR 12 3.393 24.794 8.568 62 HB THR 12 HB THR 12 1.764 25.616 6.864 63 HG1 THR 12 HG1 THR 12 3.555 26.483 5.044 64 HG21 THR 12 HG21 THR 12 3.053 27.165 8.314 65 HG22 THR 12 HG22 THR 12 2.598 27.870 6.764 66 HG23 THR 12 HG23 THR 12 4.251 27.313 7.027 67 H ASP 13 H ASP 13 1.331 23.593 8.015 68 HA ASP 13 HA ASP 13 1.919 20.945 7.166 69 HB2 ASP 13 HB2 ASP 13 -0.697 22.344 7.732 70 HB3 ASP 13 HB3 ASP 13 -0.596 20.645 7.287 71 H VAL 14 H VAL 14 1.170 23.788 5.578 72 HA VAL 14 HA VAL 14 -0.150 22.769 3.274 73 HB VAL 14 HB VAL 14 1.431 25.331 3.623 74 HG11 VAL 14 HG11 VAL 14 -0.631 24.609 1.548 75 HG12 VAL 14 HG12 VAL 14 1.106 24.702 1.273 76 HG13 VAL 14 HG13 VAL 14 0.200 26.158 1.700 77 HG21 VAL 14 HG21 VAL 14 -1.527 24.814 3.915 78 HG22 VAL 14 HG22 VAL 14 -0.748 26.395 3.992 79 HG23 VAL 14 HG23 VAL 14 -0.399 25.179 5.221 80 H CYS 15 H CYS 15 3.165 23.151 4.281 81 HA CYS 15 HA CYS 15 4.256 22.783 1.657 82 HB2 CYS 15 HB2 CYS 15 5.379 24.086 3.462 83 HB3 CYS 15 HB3 CYS 15 5.624 22.582 4.343 84 H LYS 16 H LYS 16 3.057 20.758 4.128 85 HA LYS 16 HA LYS 16 4.571 18.417 3.286 86 HB2 LYS 16 HB2 LYS 16 2.231 18.456 5.194 87 HB3 LYS 16 HB3 LYS 16 3.505 17.253 5.075 88 HG2 LYS 16 HG2 LYS 16 3.875 20.091 6.011 89 HG3 LYS 16 HG3 LYS 16 3.718 18.680 7.053 90 HD2 LYS 16 HD2 LYS 16 5.794 17.789 6.305 91 HD3 LYS 16 HD3 LYS 16 5.883 18.943 4.970 92 HE2 LYS 16 HE2 LYS 16 7.371 19.628 6.765 93 HE3 LYS 16 HE3 LYS 16 6.041 20.774 6.569 94 HZ1 LYS 16 HZ1 LYS 16 6.146 18.632 8.626 95 HZ2 LYS 16 HZ2 LYS 16 4.925 19.786 8.457 96 HZ3 LYS 16 HZ3 LYS 16 6.478 20.262 8.907 97 H GLN 17 H GLN 17 2.194 20.093 1.976 98 HA GLN 17 HA GLN 17 0.229 18.101 1.369 99 HB2 GLN 17 HB2 GLN 17 0.818 20.809 0.187 100 HB3 GLN 17 HB3 GLN 17 -0.428 19.761 -0.471 101 HG2 GLN 17 HG2 GLN 17 -1.588 19.792 1.680 102 HG3 GLN 17 HG3 GLN 17 -0.332 20.838 2.342 103 HE21 GLN 17 HE21 GLN 17 -1.944 22.406 2.794 104 HE22 GLN 17 HE22 GLN 17 -2.598 23.406 1.541 105 H THR 18 H THR 18 -0.275 17.693 -1.048 106 HA THR 18 HA THR 18 2.112 17.310 -2.649 107 HB THR 18 HB THR 18 0.369 14.943 -1.905 108 HG1 THR 18 HG1 THR 18 2.514 16.062 -0.680 109 HG21 THR 18 HG21 THR 18 2.057 13.629 -3.118 110 HG22 THR 18 HG22 THR 18 2.911 15.113 -3.540 111 HG23 THR 18 HG23 THR 18 1.297 14.814 -4.182 112 HA PRO 19 HA PRO 19 2.683 17.824 -4.455 113 HB2 PRO 19 HB2 PRO 19 2.534 20.045 -5.995 114 HB3 PRO 19 HB3 PRO 19 2.452 18.414 -6.671 115 HG2 PRO 19 HG2 PRO 19 0.242 20.329 -6.075 116 HG3 PRO 19 HG3 PRO 19 0.457 19.270 -7.479 117 HD2 PRO 19 HD2 PRO 19 -1.200 18.678 -5.407 118 HD3 PRO 19 HD3 PRO 19 -0.386 17.440 -6.382 119 H CYS 20 H CYS 20 3.951 19.806 -3.952 120 HA CYS 20 HA CYS 20 3.501 20.743 -1.440 121 HB2 CYS 20 HB2 CYS 20 5.594 20.889 -2.803 122 HB3 CYS 20 HB3 CYS 20 4.896 22.287 -3.613 123 H GLY 21 H GLY 21 2.053 21.996 -0.557 124 HA2 GLY 21 HA2 GLY 21 0.108 23.301 -2.144 125 HA3 GLY 21 HA3 GLY 21 0.215 23.305 -0.392 126 H CYS 22 H CYS 22 3.105 24.326 -0.761 127 HA CYS 22 HA CYS 22 2.475 27.064 -0.432 128 HB2 CYS 22 HB2 CYS 22 5.133 25.754 -1.013 129 HB3 CYS 22 HB3 CYS 22 4.921 27.438 -0.553 130 H ALA 23 H ALA 23 2.707 25.199 -3.219 131 HA ALA 23 HA ALA 23 3.577 27.375 -4.926 132 HB1 ALA 23 HB1 ALA 23 2.753 24.572 -5.660 133 HB2 ALA 23 HB2 ALA 23 4.406 25.111 -5.360 134 HB3 ALA 23 HB3 ALA 23 3.504 25.751 -6.734 135 H THR 24 H THR 24 0.652 26.301 -3.656 136 HA THR 24 HA THR 24 -0.764 27.831 -5.724 137 HB THR 24 HB THR 24 -1.208 25.472 -6.197 138 HG1 THR 24 HG1 THR 24 -3.171 27.257 -5.404 139 HG21 THR 24 HG21 THR 24 -0.862 24.552 -3.949 140 HG22 THR 24 HG22 THR 24 -2.435 24.073 -4.587 141 HG23 THR 24 HG23 THR 24 -2.326 25.360 -3.387 142 H SER 25 H SER 25 -0.390 27.005 -2.405 143 HA SER 25 HA SER 25 -2.690 28.675 -1.687 144 HB2 SER 25 HB2 SER 25 -1.147 26.642 -0.054 145 HB3 SER 25 HB3 SER 25 -2.529 27.581 0.530 146 HG SER 25 HG SER 25 -3.587 26.606 -1.458 147 H GLY 26 H GLY 26 0.558 28.910 -2.118 148 HA2 GLY 26 HA2 GLY 26 1.702 30.937 -1.733 149 HA3 GLY 26 HA3 GLY 26 0.650 31.236 -0.355 150 H CYS 27 H CYS 27 3.623 31.083 -0.748 151 HA CYS 27 HA CYS 27 4.434 28.828 0.846 152 HB2 CYS 27 HB2 CYS 27 5.791 29.875 -1.007 153 HB3 CYS 27 HB3 CYS 27 6.032 31.259 0.052 154 H ASN 28 H ASN 28 4.775 28.833 3.049 155 HA ASN 28 HA ASN 28 4.609 31.428 4.419 156 HB2 ASN 28 HB2 ASN 28 2.325 30.387 4.219 157 HB3 ASN 28 HB3 ASN 28 2.904 29.082 5.244 158 HD21 ASN 28 HD21 ASN 28 1.663 29.430 6.994 159 HD22 ASN 28 HD22 ASN 28 1.700 30.868 7.951 160 H CYS 29 H CYS 29 6.540 28.914 4.054 161 HA CYS 29 HA CYS 29 6.982 28.501 6.902 162 HB2 CYS 29 HB2 CYS 29 8.655 26.756 6.043 163 HB3 CYS 29 HB3 CYS 29 6.923 26.447 5.850 164 H THR 30 H THR 30 9.591 27.964 7.087 165 HA THR 30 HA THR 30 10.647 30.637 7.035 166 HB THR 30 HB THR 30 12.571 29.352 8.244 167 HG1 THR 30 HG1 THR 30 12.197 27.276 8.466 168 HG21 THR 30 HG21 THR 30 11.328 29.486 10.357 169 HG22 THR 30 HG22 THR 30 9.810 29.580 9.464 170 HG23 THR 30 HG23 THR 30 10.986 30.890 9.344 171 H ASP 31 H ASP 31 13.062 30.856 6.535 172 HA ASP 31 HA ASP 31 13.439 30.092 3.804 173 HB2 ASP 31 HB2 ASP 31 15.385 31.495 3.831 174 HB3 ASP 31 HB3 ASP 31 14.111 32.310 4.725 175 H ASP 32 H ASP 32 14.071 28.555 6.663 176 HA ASP 32 HA ASP 32 16.455 27.151 5.813 177 HB2 ASP 32 HB2 ASP 32 15.920 25.749 7.906 178 HB3 ASP 32 HB3 ASP 32 16.401 27.428 8.113 179 H CYS 33 H CYS 33 13.275 26.946 5.031 180 HA CYS 33 HA CYS 33 12.849 24.188 4.845 181 HB2 CYS 33 HB2 CYS 33 11.019 25.722 4.486 182 HB3 CYS 33 HB3 CYS 33 11.854 26.453 3.118 183 H LYS 34 H LYS 34 13.848 22.689 3.678 184 HA LYS 34 HA LYS 34 15.686 23.511 1.553 185 HB2 LYS 34 HB2 LYS 34 15.444 21.038 3.239 186 HB3 LYS 34 HB3 LYS 34 16.460 21.085 1.808 187 HG2 LYS 34 HG2 LYS 34 16.821 23.235 3.790 188 HG3 LYS 34 HG3 LYS 34 17.356 21.615 4.242 189 HD2 LYS 34 HD2 LYS 34 19.196 22.815 3.219 190 HD3 LYS 34 HD3 LYS 34 18.689 21.498 2.168 191 HE2 LYS 34 HE2 LYS 34 17.428 23.091 0.798 192 HE3 LYS 34 HE3 LYS 34 17.949 24.407 1.853 193 HZ1 LYS 34 HZ1 LYS 34 20.231 23.928 1.240 194 HZ2 LYS 34 HZ2 LYS 34 19.298 24.272 -0.127 195 HZ3 LYS 34 HZ3 LYS 34 19.716 22.672 0.225 196 H CYS 35 H CYS 35 12.676 23.083 1.356 197 HA CYS 35 HA CYS 35 12.404 20.697 -0.178 198 HB2 CYS 35 HB2 CYS 35 10.592 21.667 1.217 199 HB3 CYS 35 HB3 CYS 35 10.482 23.003 0.071 200 H GLN 36 H GLN 36 12.300 20.461 -2.367 201 HA GLN 36 HA GLN 36 13.226 22.730 -3.950 202 HB2 GLN 36 HB2 GLN 36 12.872 19.840 -4.765 203 HB3 GLN 36 HB3 GLN 36 13.676 21.094 -5.697 204 HG2 GLN 36 HG2 GLN 36 14.584 19.926 -3.081 205 HG3 GLN 36 HG3 GLN 36 15.302 19.661 -4.665 206 HE21 GLN 36 HE21 GLN 36 16.516 20.691 -2.259 207 HE22 GLN 36 HE22 GLN 36 17.125 22.264 -2.639 208 H SER 37 H SER 37 10.342 21.548 -2.996 209 HA SER 37 HA SER 37 9.031 21.683 -5.568 210 HB2 SER 37 HB2 SER 37 7.922 21.085 -2.824 211 HB3 SER 37 HB3 SER 37 7.018 20.988 -4.338 212 HG SER 37 HG SER 37 8.378 19.355 -5.024 213 H CYS 38 H CYS 38 8.936 23.496 -2.464 214 HA CYS 38 HA CYS 38 7.189 25.420 -3.730 215 HB2 CYS 38 HB2 CYS 38 7.112 26.555 -1.579 216 HB3 CYS 38 HB3 CYS 38 6.800 24.835 -1.384 217 H LYS 39 H LYS 39 10.466 24.890 -3.581 218 HA LYS 39 HA LYS 39 11.136 27.708 -4.001 219 HB2 LYS 39 HB2 LYS 39 12.781 25.253 -3.430 220 HB3 LYS 39 HB3 LYS 39 13.536 26.620 -4.228 221 HG2 LYS 39 HG2 LYS 39 14.029 26.919 -1.962 222 HG3 LYS 39 HG3 LYS 39 12.678 28.017 -2.248 223 HD2 LYS 39 HD2 LYS 39 11.223 26.051 -1.453 224 HD3 LYS 39 HD3 LYS 39 12.730 25.390 -0.819 225 HE2 LYS 39 HE2 LYS 39 11.557 28.083 -0.141 226 HE3 LYS 39 HE3 LYS 39 11.495 26.650 0.880 227 HZ1 LYS 39 HZ1 LYS 39 14.002 27.976 0.004 228 HZ2 LYS 39 HZ2 LYS 39 13.865 26.707 1.118 229 HZ3 LYS 39 HZ3 LYS 39 13.248 28.237 1.490 230 H TYR 40 H TYR 40 9.530 26.159 -5.853 231 HA TYR 40 HA TYR 40 10.904 25.209 -8.066 232 HB2 TYR 40 HB2 TYR 40 8.807 25.690 -9.350 233 HB3 TYR 40 HB3 TYR 40 8.556 24.770 -7.875 234 HD1 TYR 40 HD1 TYR 40 7.774 27.830 -9.670 235 HD2 TYR 40 HD2 TYR 40 7.541 25.897 -5.888 236 HE1 TYR 40 HE1 TYR 40 6.052 29.438 -8.955 237 HE2 TYR 40 HE2 TYR 40 5.827 27.498 -5.165 238 HH TYR 40 HH TYR 40 4.233 29.587 -7.327 239 H GLY 41 H GLY 41 11.692 26.064 -9.900 240 HA2 GLY 41 HA2 GLY 41 11.651 28.121 -11.364 241 HA3 GLY 41 HA3 GLY 41 12.071 28.981 -9.884 242 H ALA 42 H ALA 42 13.865 27.467 -8.695 243 HA ALA 42 HA ALA 42 16.185 27.679 -10.408 244 HB1 ALA 42 HB1 ALA 42 15.949 26.772 -7.539 245 HB2 ALA 42 HB2 ALA 42 16.290 28.419 -8.070 246 HB3 ALA 42 HB3 ALA 42 17.450 27.129 -8.392 247 H GLY 43 H GLY 43 13.896 25.468 -10.136 248 HA2 GLY 43 HA2 GLY 43 15.670 23.255 -10.850 249 HA3 GLY 43 HA3 GLY 43 14.435 23.035 -9.634 250 H CYS 44 H CYS 44 13.137 25.164 -11.732 251 HA CYS 44 HA CYS 44 11.802 23.007 -13.230 252 HB2 CYS 44 HB2 CYS 44 10.590 25.168 -11.567 253 HB3 CYS 44 HB3 CYS 44 9.713 24.577 -12.968 254 H THR 45 H THR 45 10.034 24.325 -14.680 255 HA THR 45 HA THR 45 11.187 26.581 -16.028 256 HB THR 45 HB THR 45 12.256 24.652 -17.190 257 HG1 THR 45 HG1 THR 45 11.936 25.577 -19.080 258 HG21 THR 45 HG21 THR 45 9.411 23.777 -17.719 259 HG22 THR 45 HG22 THR 45 10.605 22.926 -16.742 260 HG23 THR 45 HG23 THR 45 10.840 23.082 -18.482 261 H ASP 46 H ASP 46 9.536 26.988 -17.964 262 HA ASP 46 HA ASP 46 7.006 27.431 -16.697 263 HB2 ASP 46 HB2 ASP 46 6.327 28.438 -18.828 264 HB3 ASP 46 HB3 ASP 46 7.920 29.010 -18.343 265 H THR 47 H THR 47 8.276 24.901 -18.520 266 HA THR 47 HA THR 47 5.806 23.998 -19.666 267 HB THR 47 HB THR 47 8.402 22.487 -19.635 268 HG1 THR 47 HG1 THR 47 7.801 24.971 -20.776 269 HG21 THR 47 HG21 THR 47 7.645 21.838 -21.888 270 HG22 THR 47 HG22 THR 47 6.193 22.819 -21.678 271 HG23 THR 47 HG23 THR 47 6.458 21.402 -20.660 272 H CYS 48 H CYS 48 7.465 23.562 -16.711 273 HA CYS 48 HA CYS 48 6.239 20.955 -16.220 274 HB2 CYS 48 HB2 CYS 48 8.638 21.370 -15.599 275 HB3 CYS 48 HB3 CYS 48 8.084 22.550 -14.420 276 H LYS 49 H LYS 49 5.462 24.186 -15.919 277 HA LYS 49 HA LYS 49 3.990 24.013 -13.429 278 HB2 LYS 49 HB2 LYS 49 3.868 26.176 -15.520 279 HB3 LYS 49 HB3 LYS 49 3.406 26.295 -13.827 280 HG2 LYS 49 HG2 LYS 49 5.779 25.878 -13.227 281 HG3 LYS 49 HG3 LYS 49 6.143 25.950 -14.960 282 HD2 LYS 49 HD2 LYS 49 5.599 28.165 -15.122 283 HD3 LYS 49 HD3 LYS 49 4.694 28.184 -13.599 284 HE2 LYS 49 HE2 LYS 49 6.853 27.765 -12.413 285 HE3 LYS 49 HE3 LYS 49 7.680 27.933 -13.959 286 HZ1 LYS 49 HZ1 LYS 49 7.750 29.970 -12.675 287 HZ2 LYS 49 HZ2 LYS 49 6.065 30.040 -12.627 288 HZ3 LYS 49 HZ3 LYS 49 6.875 30.202 -14.103 289 H GLN 50 H GLN 50 3.470 22.702 -16.282 290 HA GLN 50 HA GLN 50 0.714 23.482 -16.674 291 HB2 GLN 50 HB2 GLN 50 2.075 21.231 -18.098 292 HB3 GLN 50 HB3 GLN 50 0.797 22.300 -18.674 293 HG2 GLN 50 HG2 GLN 50 2.620 24.137 -18.296 294 HG3 GLN 50 HG3 GLN 50 3.713 22.769 -18.463 295 HE21 GLN 50 HE21 GLN 50 3.453 25.033 -20.098 296 HE22 GLN 50 HE22 GLN 50 3.015 24.483 -21.685 297 H THR 51 H THR 51 -0.422 21.083 -17.471 298 HA THR 51 HA THR 51 -0.267 19.274 -15.210 299 HB THR 51 HB THR 51 -2.871 20.627 -15.961 300 HG1 THR 51 HG1 THR 51 -0.874 21.259 -14.189 301 HG21 THR 51 HG21 THR 51 -2.199 18.681 -13.743 302 HG22 THR 51 HG22 THR 51 -3.137 18.306 -15.188 303 HG23 THR 51 HG23 THR 51 -3.766 19.450 -14.002 304 HA PRO 52 HA PRO 52 -0.370 17.328 -14.769 305 HB2 PRO 52 HB2 PRO 52 1.125 15.189 -15.548 306 HB3 PRO 52 HB3 PRO 52 -0.601 15.074 -15.189 307 HG2 PRO 52 HG2 PRO 52 0.776 15.263 -17.836 308 HG3 PRO 52 HG3 PRO 52 -0.606 14.261 -17.359 309 HD2 PRO 52 HD2 PRO 52 -0.869 16.571 -18.768 310 HD3 PRO 52 HD3 PRO 52 -2.110 15.976 -17.648 311 H CYS 53 H CYS 53 1.468 17.272 -17.798 312 HA CYS 53 HA CYS 53 3.326 19.204 -16.867 313 HB2 CYS 53 HB2 CYS 53 4.090 17.011 -15.823 314 HB3 CYS 53 HB3 CYS 53 4.435 16.464 -17.456 315 H GLY 54 H GLY 54 4.439 20.114 -18.618 316 HA2 GLY 54 HA2 GLY 54 3.388 19.244 -21.204 317 HA3 GLY 54 HA3 GLY 54 4.107 20.804 -20.848 318 H CYS 55 H CYS 55 6.270 18.921 -19.420 319 HA CYS 55 HA CYS 55 8.178 19.205 -21.441 320 HB2 CYS 55 HB2 CYS 55 8.203 17.438 -18.999 321 HB3 CYS 55 HB3 CYS 55 9.610 17.794 -19.993 322 H GLY 56 H GLY 56 7.075 16.076 -20.103 323 HA2 GLY 56 HA2 GLY 56 6.946 13.977 -21.069 324 HA3 GLY 56 HA3 GLY 56 6.176 14.838 -22.390 325 H SER 57 H SER 57 9.393 14.038 -21.102 326 HA SER 57 HA SER 57 11.299 13.330 -22.069 327 HB2 SER 57 HB2 SER 57 9.861 11.815 -23.432 328 HB3 SER 57 HB3 SER 57 9.753 13.071 -24.664 329 HG SER 57 HG SER 57 11.866 12.819 -25.134 330 H GLY 58 H GLY 58 9.693 16.078 -22.983 331 HA2 GLY 58 HA2 GLY 58 12.096 17.158 -24.323 332 HA3 GLY 58 HA3 GLY 58 10.464 17.757 -24.601 333 H CYS 59 H CYS 59 12.135 16.930 -21.623 334 HA CYS 59 HA CYS 59 11.105 19.095 -20.173 335 HB2 CYS 59 HB2 CYS 59 11.690 17.235 -18.936 336 HB3 CYS 59 HB3 CYS 59 13.273 17.090 -19.695 337 H ASN 60 H ASN 60 12.060 20.928 -19.329 338 HA ASN 60 HA ASN 60 14.530 21.902 -20.584 339 HB2 ASN 60 HB2 ASN 60 12.597 22.681 -21.949 340 HB3 ASN 60 HB3 ASN 60 11.896 23.421 -20.520 341 HD21 ASN 60 HD21 ASN 60 14.511 23.570 -22.833 342 HD22 ASN 60 HD22 ASN 60 14.925 25.225 -22.545 343 H CYS 61 H CYS 61 13.546 20.994 -17.852 344 HA CYS 61 HA CYS 61 13.395 23.303 -16.188 345 HB2 CYS 61 HB2 CYS 61 13.702 20.374 -15.655 346 HB3 CYS 61 HB3 CYS 61 13.837 21.545 -14.348 347 H LYS 62 H LYS 62 14.952 22.905 -14.060 348 HA LYS 62 HA LYS 62 17.548 23.767 -15.090 349 HB2 LYS 62 HB2 LYS 62 16.344 23.954 -12.333 350 HB3 LYS 62 HB3 LYS 62 17.913 24.582 -12.761 351 HG2 LYS 62 HG2 LYS 62 15.357 25.514 -14.035 352 HG3 LYS 62 HG3 LYS 62 16.026 26.258 -12.587 353 HD2 LYS 62 HD2 LYS 62 16.983 27.620 -14.165 354 HD3 LYS 62 HD3 LYS 62 18.201 26.341 -14.168 355 HE2 LYS 62 HE2 LYS 62 16.904 25.249 -16.013 356 HE3 LYS 62 HE3 LYS 62 15.894 26.685 -16.056 357 HZ1 LYS 62 HZ1 LYS 62 18.823 26.633 -16.550 358 HZ2 LYS 62 HZ2 LYS 62 17.843 28.003 -16.590 359 HZ3 LYS 62 HZ3 LYS 62 17.623 26.780 -17.731 360 H GLU 63 H GLU 63 16.656 22.095 -12.103 361 HA GLU 63 HA GLU 63 17.945 19.661 -12.667 362 HB2 GLU 63 HB2 GLU 63 19.748 21.712 -12.112 363 HB3 GLU 63 HB3 GLU 63 19.580 20.874 -10.579 364 HG2 GLU 63 HG2 GLU 63 20.407 19.677 -13.209 365 HG3 GLU 63 HG3 GLU 63 21.442 19.981 -11.815 366 H ASP 64 H ASP 64 17.108 22.042 -10.189 367 HA ASP 64 HA ASP 64 16.664 20.063 -8.176 368 HB2 ASP 64 HB2 ASP 64 16.232 23.033 -8.345 369 HB3 ASP 64 HB3 ASP 64 15.839 22.106 -6.915 370 H CYS 65 H CYS 65 15.076 19.261 -10.184 371 HA CYS 65 HA CYS 65 12.385 20.278 -9.621 372 HB2 CYS 65 HB2 CYS 65 12.959 20.147 -11.978 373 HB3 CYS 65 HB3 CYS 65 13.364 18.442 -11.809 374 H ARG 66 H ARG 66 10.766 19.014 -8.845 375 HA ARG 66 HA ARG 66 11.595 16.501 -7.561 376 HB2 ARG 66 HB2 ARG 66 9.563 18.597 -6.951 377 HB3 ARG 66 HB3 ARG 66 9.313 16.964 -6.357 378 HG2 ARG 66 HG2 ARG 66 11.922 18.290 -5.876 379 HG3 ARG 66 HG3 ARG 66 10.523 18.745 -4.897 380 HD2 ARG 66 HD2 ARG 66 10.201 16.387 -4.304 381 HD3 ARG 66 HD3 ARG 66 11.622 15.963 -5.258 382 HE ARG 66 HE ARG 66 12.968 16.708 -3.572 383 HH11 ARG 66 HH11 ARG 66 9.704 17.955 -3.019 384 HH12 ARG 66 HH12 ARG 66 10.035 18.489 -1.412 385 HH21 ARG 66 HH21 ARG 66 13.400 17.420 -1.445 386 HH22 ARG 66 HH22 ARG 66 12.158 18.177 -0.509 387 H CYS 67 H CYS 67 10.182 17.367 -10.335 388 HA CYS 67 HA CYS 67 7.870 15.656 -10.190 389 HB2 CYS 67 HB2 CYS 67 7.959 17.809 -11.493 390 HB3 CYS 67 HB3 CYS 67 9.015 16.985 -12.633 391 H GLN 68 H GLN 68 7.793 13.589 -10.717 392 HA GLN 68 HA GLN 68 10.182 12.345 -11.863 393 HB2 GLN 68 HB2 GLN 68 9.206 10.215 -11.132 394 HB3 GLN 68 HB3 GLN 68 9.296 11.352 -9.796 395 HG2 GLN 68 HG2 GLN 68 6.751 11.490 -11.192 396 HG3 GLN 68 HG3 GLN 68 7.088 9.880 -10.569 397 HE21 GLN 68 HE21 GLN 68 8.359 12.720 -9.001 398 HE22 GLN 68 HE22 GLN 68 7.333 12.656 -7.618 399 H SER 69 H SER 69 7.627 13.796 -13.105 400 HA SER 69 HA SER 69 6.762 11.726 -14.925 401 HB2 SER 69 HB2 SER 69 5.899 14.616 -14.792 402 HB3 SER 69 HB3 SER 69 5.069 13.285 -15.597 403 HG SER 69 HG SER 69 4.637 12.369 -13.596 404 H CYS 70 H CYS 70 8.582 14.769 -14.968 405 HA CYS 70 HA CYS 70 8.974 14.425 -17.831 406 HB2 CYS 70 HB2 CYS 70 9.817 16.693 -17.851 407 HB3 CYS 70 HB3 CYS 70 8.255 16.628 -17.041 408 H SER 71 H SER 71 10.693 14.287 -14.817 409 HA SER 71 HA SER 71 13.319 14.472 -15.815 410 HB2 SER 71 HB2 SER 71 12.618 14.647 -13.389 411 HB3 SER 71 HB3 SER 71 12.440 12.894 -13.394 412 HG SER 71 HG SER 71 14.458 13.174 -12.706 413 H THR 72 H THR 72 14.886 12.611 -15.739 414 HA THR 72 HA THR 72 13.761 10.452 -17.332 415 HB THR 72 HB THR 72 15.814 11.584 -18.180 416 HG1 THR 72 HG1 THR 72 16.287 9.723 -19.047 417 HG21 THR 72 HG21 THR 72 17.127 10.328 -15.763 418 HG22 THR 72 HG22 THR 72 16.921 12.056 -16.055 419 HG23 THR 72 HG23 THR 72 17.977 11.103 -17.097 420 H ALA 73 H ALA 73 14.312 8.259 -16.955 421 HA ALA 73 HA ALA 73 13.523 7.396 -14.459 422 HB1 ALA 73 HB1 ALA 73 15.103 5.856 -16.508 423 HB2 ALA 73 HB2 ALA 73 13.350 6.039 -16.480 424 HB3 ALA 73 HB3 ALA 73 14.166 5.164 -15.183 425 H CYS 74 H CYS 74 14.439 7.341 -12.616 426 HA CYS 74 HA CYS 74 17.191 7.834 -12.145 427 HB2 CYS 74 HB2 CYS 74 15.091 6.686 -10.299 428 HB3 CYS 74 HB3 CYS 74 16.652 7.327 -9.809 429 H LYS 75 H LYS 75 18.249 6.202 -10.445 430 HA LYS 75 HA LYS 75 18.574 3.753 -11.924 431 HB2 LYS 75 HB2 LYS 75 19.972 4.910 -9.530 432 HB3 LYS 75 HB3 LYS 75 20.295 3.273 -10.092 433 HG2 LYS 75 HG2 LYS 75 20.648 5.795 -11.688 434 HG3 LYS 75 HG3 LYS 75 21.935 4.834 -10.950 435 HD2 LYS 75 HD2 LYS 75 21.485 2.984 -12.375 436 HD3 LYS 75 HD3 LYS 75 19.997 3.711 -12.964 437 HE2 LYS 75 HE2 LYS 75 21.727 3.947 -14.637 438 HE3 LYS 75 HE3 LYS 75 21.285 5.525 -13.990 439 HZ1 LYS 75 HZ1 LYS 75 23.682 5.281 -14.217 440 HZ2 LYS 75 HZ2 LYS 75 23.668 3.943 -13.196 441 HZ3 LYS 75 HZ3 LYS 75 23.252 5.466 -12.593 442 H CYS 76 H CYS 76 16.286 4.645 -9.991 443 HA CYS 76 HA CYS 76 16.240 2.401 -8.245 444 HB2 CYS 76 HB2 CYS 76 13.928 4.205 -8.857 445 HB3 CYS 76 HB3 CYS 76 14.287 3.343 -7.366 446 H ALA 77 H ALA 77 15.767 0.488 -9.057 447 HA ALA 77 HA ALA 77 13.365 0.058 -10.567 448 HB1 ALA 77 HB1 ALA 77 14.929 0.652 -12.376 449 HB2 ALA 77 HB2 ALA 77 14.408 -1.030 -12.484 450 HB3 ALA 77 HB3 ALA 77 16.007 -0.641 -11.851 451 H ALA 78 H ALA 78 12.459 -1.611 -9.702 452 HA ALA 78 HA ALA 78 12.081 -3.637 -8.770 453 HB1 ALA 78 HB1 ALA 78 14.853 -4.369 -9.676 454 HB2 ALA 78 HB2 ALA 78 13.393 -4.508 -10.655 455 HB3 ALA 78 HB3 ALA 78 13.575 -5.486 -9.199 456 H GLY 79 H GLY 79 15.448 -3.000 -8.116 457 HA2 GLY 79 HA2 GLY 79 14.943 -2.673 -5.274 458 HA3 GLY 79 HA3 GLY 79 15.809 -4.151 -5.674 459 H SER 80 H SER 80 16.342 -1.506 -7.742 460 HA SER 80 HA SER 80 19.082 -1.334 -6.859 461 HB2 SER 80 HB2 SER 80 17.615 -0.250 -9.254 462 HB3 SER 80 HB3 SER 80 19.353 -0.112 -8.991 463 HG SER 80 HG SER 80 19.515 -2.345 -9.083 464 H CYS 81 H CYS 81 16.688 0.007 -5.453 465 HA CYS 81 HA CYS 81 16.864 2.783 -5.843 466 HB2 CYS 81 HB2 CYS 81 15.019 1.535 -4.706 467 HB3 CYS 81 HB3 CYS 81 16.086 1.322 -3.326 468 H LYS 82 H LYS 82 18.476 4.113 -5.358 469 HA LYS 82 HA LYS 82 20.682 3.133 -3.744 470 HB2 LYS 82 HB2 LYS 82 21.299 4.023 -5.876 471 HB3 LYS 82 HB3 LYS 82 20.392 5.494 -5.590 472 HG2 LYS 82 HG2 LYS 82 22.796 5.867 -5.409 473 HG3 LYS 82 HG3 LYS 82 21.981 6.175 -3.877 474 HD2 LYS 82 HD2 LYS 82 24.024 4.965 -3.463 475 HD3 LYS 82 HD3 LYS 82 22.652 3.913 -3.118 476 HE2 LYS 82 HE2 LYS 82 22.922 2.880 -5.344 477 HE3 LYS 82 HE3 LYS 82 24.333 3.899 -5.624 478 HZ1 LYS 82 HZ1 LYS 82 25.024 1.746 -4.889 479 HZ2 LYS 82 HZ2 LYS 82 24.039 1.830 -3.521 480 HZ3 LYS 82 HZ3 LYS 82 25.368 2.864 -3.670 481 H CYS 83 H CYS 83 18.151 5.475 -3.496 482 HA CYS 83 HA CYS 83 19.548 6.914 -1.393 483 HB2 CYS 83 HB2 CYS 83 17.446 8.321 -1.380 484 HB3 CYS 83 HB3 CYS 83 18.361 8.310 -2.879 485 H GLY 84 H GLY 84 17.459 4.269 -1.613 486 HA2 GLY 84 HA2 GLY 84 16.828 2.866 0.132 487 HA3 GLY 84 HA3 GLY 84 17.374 4.086 1.273 488 H LYS 85 H LYS 85 15.301 5.178 -1.186 489 HA LYS 85 HA LYS 85 13.231 5.725 0.752 490 HB2 LYS 85 HB2 LYS 85 13.514 6.409 -2.169 491 HB3 LYS 85 HB3 LYS 85 12.174 6.931 -1.158 492 HG2 LYS 85 HG2 LYS 85 15.041 7.559 -0.525 493 HG3 LYS 85 HG3 LYS 85 14.014 8.605 -1.507 494 HD2 LYS 85 HD2 LYS 85 13.305 7.708 1.280 495 HD3 LYS 85 HD3 LYS 85 14.149 9.217 0.925 496 HE2 LYS 85 HE2 LYS 85 11.413 8.412 -0.054 497 HE3 LYS 85 HE3 LYS 85 11.770 9.637 1.164 498 HZ1 LYS 85 HZ1 LYS 85 12.952 10.910 -0.559 499 HZ2 LYS 85 HZ2 LYS 85 11.329 10.673 -0.957 500 HZ3 LYS 85 HZ3 LYS 85 12.523 9.755 -1.720 501 H GLY 86 H GLY 86 13.944 3.358 -1.541 502 HA2 GLY 86 HA2 GLY 86 12.819 1.405 -2.030 503 HA3 GLY 86 HA3 GLY 86 11.540 1.920 -0.939 504 H CYS 87 H CYS 87 12.752 3.740 -3.691 505 HA CYS 87 HA CYS 87 10.076 4.013 -4.715 506 HB2 CYS 87 HB2 CYS 87 12.649 4.811 -6.093 507 HB3 CYS 87 HB3 CYS 87 11.038 5.469 -6.359 508 H THR 88 H THR 88 13.094 2.591 -5.816 509 HA THR 88 HA THR 88 13.643 1.049 -7.362 510 HB THR 88 HB THR 88 12.371 -1.064 -7.296 511 HG1 THR 88 HG1 THR 88 10.399 0.580 -6.376 512 HG21 THR 88 HG21 THR 88 14.050 -0.602 -5.596 513 HG22 THR 88 HG22 THR 88 12.709 -1.513 -4.899 514 HG23 THR 88 HG23 THR 88 12.845 0.220 -4.603 515 H GLY 89 H GLY 89 12.017 3.249 -8.324 516 HA2 GLY 89 HA2 GLY 89 11.794 2.561 -10.969 517 HA3 GLY 89 HA3 GLY 89 10.185 2.349 -10.272 518 HA PRO 90 HA PRO 90 11.427 6.919 -10.943 519 HB2 PRO 90 HB2 PRO 90 10.720 7.429 -13.495 520 HB3 PRO 90 HB3 PRO 90 12.326 6.835 -13.053 521 HG2 PRO 90 HG2 PRO 90 9.994 5.336 -14.168 522 HG3 PRO 90 HG3 PRO 90 11.716 5.184 -14.562 523 HD2 PRO 90 HD2 PRO 90 10.372 3.477 -12.883 524 HD3 PRO 90 HD3 PRO 90 12.118 3.783 -12.796 525 H ASP 91 H ASP 91 8.707 5.092 -12.201 526 HA ASP 91 HA ASP 91 6.868 7.299 -12.045 527 HB2 ASP 91 HB2 ASP 91 6.680 5.380 -13.672 528 HB3 ASP 91 HB3 ASP 91 6.260 4.344 -12.316 529 H SER 92 H SER 92 8.171 4.993 -9.932 530 HA SER 92 HA SER 92 6.058 5.411 -7.944 531 HB2 SER 92 HB2 SER 92 8.272 3.350 -7.931 532 HB3 SER 92 HB3 SER 92 6.871 3.415 -6.859 533 HG SER 92 HG SER 92 5.706 3.363 -9.066 534 H CYS 93 H CYS 93 8.780 6.844 -8.851 535 HA CYS 93 HA CYS 93 9.968 7.177 -6.207 536 HB2 CYS 93 HB2 CYS 93 11.435 6.805 -8.208 537 HB3 CYS 93 HB3 CYS 93 10.834 8.309 -8.887 538 H LYS 94 H LYS 94 10.223 9.299 -5.328 539 HA LYS 94 HA LYS 94 8.614 11.436 -6.539 540 HB2 LYS 94 HB2 LYS 94 8.234 10.285 -3.802 541 HB3 LYS 94 HB3 LYS 94 7.948 12.000 -4.057 542 HG2 LYS 94 HG2 LYS 94 6.355 11.378 -5.876 543 HG3 LYS 94 HG3 LYS 94 6.568 9.695 -5.385 544 HD2 LYS 94 HD2 LYS 94 5.701 11.837 -3.445 545 HD3 LYS 94 HD3 LYS 94 4.541 10.933 -4.417 546 HE2 LYS 94 HE2 LYS 94 6.552 9.714 -2.529 547 HE3 LYS 94 HE3 LYS 94 4.850 9.985 -2.156 548 HZ1 LYS 94 HZ1 LYS 94 5.919 8.203 -4.283 549 HZ2 LYS 94 HZ2 LYS 94 4.281 8.520 -4.021 550 HZ3 LYS 94 HZ3 LYS 94 5.183 7.719 -2.840 551 H CYS 95 H CYS 95 11.464 10.875 -6.273 552 HA CYS 95 HA CYS 95 12.323 12.939 -4.401 553 HB2 CYS 95 HB2 CYS 95 14.007 10.993 -5.965 554 HB3 CYS 95 HB3 CYS 95 14.498 11.967 -4.580 555 H ASP 96 H ASP 96 13.971 14.457 -5.092 556 HA ASP 96 HA ASP 96 13.430 15.486 -7.728 557 HB2 ASP 96 HB2 ASP 96 14.984 17.341 -7.007 558 HB3 ASP 96 HB3 ASP 96 13.538 17.145 -6.027 559 H ARG 97 H ARG 97 15.439 16.407 -8.893 560 HA ARG 97 HA ARG 97 16.911 14.073 -9.680 561 HB2 ARG 97 HB2 ARG 97 17.666 16.735 -10.748 562 HB3 ARG 97 HB3 ARG 97 17.504 15.196 -11.576 563 HG2 ARG 97 HG2 ARG 97 15.002 15.451 -11.218 564 HG3 ARG 97 HG3 ARG 97 15.356 17.123 -10.782 565 HD2 ARG 97 HD2 ARG 97 15.666 15.747 -13.420 566 HD3 ARG 97 HD3 ARG 97 14.879 17.275 -13.037 567 HE ARG 97 HE ARG 97 17.733 17.286 -12.615 568 HH11 ARG 97 HH11 ARG 97 15.112 17.885 -14.894 569 HH12 ARG 97 HH12 ARG 97 16.092 18.827 -15.960 570 HH21 ARG 97 HH21 ARG 97 19.010 18.518 -14.022 571 HH22 ARG 97 HH22 ARG 97 18.326 19.212 -15.458 572 H SER 98 H SER 98 17.417 16.042 -7.154 573 HA SER 98 HA SER 98 20.330 16.012 -7.460 574 HB2 SER 98 HB2 SER 98 19.172 18.227 -7.070 575 HB3 SER 98 HB3 SER 98 18.708 17.625 -5.481 576 HG SER 98 HG SER 98 21.398 17.669 -6.364 577 H CYS 99 H CYS 99 18.111 14.018 -6.386 578 HA CYS 99 HA CYS 99 19.052 13.599 -3.696 579 HB2 CYS 99 HB2 CYS 99 16.656 13.172 -4.610 580 HB3 CYS 99 HB3 CYS 99 17.330 11.656 -5.196 581 H SER 100 H SER 100 19.493 11.159 -3.162 582 HA SER 100 HA SER 100 22.033 10.603 -4.280 583 HB2 SER 100 HB2 SER 100 20.331 8.847 -2.514 584 HB3 SER 100 HB3 SER 100 22.078 8.735 -2.740 585 HG SER 100 HG SER 100 20.917 10.073 -0.888 586 H CYS 101 H CYS 101 18.852 9.534 -5.097 587 HA CYS 101 HA CYS 101 19.594 7.100 -6.404 588 HB2 CYS 101 HB2 CYS 101 17.290 7.252 -7.322 589 HB3 CYS 101 HB3 CYS 101 17.360 7.401 -5.566 590 H LYS 102 H LYS 102 19.571 10.433 -7.267 591 HA LYS 102 HA LYS 102 19.743 9.821 -10.123 592 HB2 LYS 102 HB2 LYS 102 19.362 12.426 -8.652 593 HB3 LYS 102 HB3 LYS 102 19.565 12.309 -10.393 594 HG2 LYS 102 HG2 LYS 102 17.453 10.607 -9.258 595 HG3 LYS 102 HG3 LYS 102 17.168 12.337 -9.133 596 HD2 LYS 102 HD2 LYS 102 16.191 11.490 -11.193 597 HD3 LYS 102 HD3 LYS 102 17.557 12.536 -11.580 598 HE2 LYS 102 HE2 LYS 102 18.963 10.621 -11.970 599 HE3 LYS 102 HE3 LYS 102 17.684 9.533 -11.432 600 HZ1 LYS 102 HZ1 LYS 102 16.342 10.245 -13.315 601 HZ2 LYS 102 HZ2 LYS 102 17.828 9.628 -13.837 602 HZ3 LYS 102 HZ3 LYS 102 17.574 11.297 -13.812 Start of MODEL 10 1 HA2 GLY 1 HA2 GLY 1 23.675 17.600 -2.524 2 HA3 GLY 1 HA3 GLY 1 25.150 16.688 -2.811 3 H SER 2 H SER 2 25.708 18.925 -0.425 4 HA SER 2 HA SER 2 25.809 16.889 1.589 5 HB2 SER 2 HB2 SER 2 26.620 18.913 2.987 6 HB3 SER 2 HB3 SER 2 27.640 18.341 1.667 7 HG SER 2 HG SER 2 27.550 20.382 1.127 8 H MET 3 H MET 3 24.844 17.098 3.705 9 HA MET 3 HA MET 3 22.087 17.885 3.524 10 HB2 MET 3 HB2 MET 3 23.690 16.696 5.791 11 HB3 MET 3 HB3 MET 3 21.965 17.019 5.873 12 HG2 MET 3 HG2 MET 3 23.319 15.139 3.950 13 HG3 MET 3 HG3 MET 3 22.423 14.676 5.395 14 HE1 MET 3 HE1 MET 3 19.823 14.904 5.677 15 HE2 MET 3 HE2 MET 3 18.759 15.657 4.488 16 HE3 MET 3 HE3 MET 3 19.929 16.638 5.369 17 H SER 4 H SER 4 21.257 19.744 4.101 18 HA SER 4 HA SER 4 22.445 21.323 6.221 19 HB2 SER 4 HB2 SER 4 22.001 22.439 3.436 20 HB3 SER 4 HB3 SER 4 22.494 23.370 4.849 21 HG SER 4 HG SER 4 24.144 21.289 4.576 22 H SER 5 H SER 5 20.974 23.293 6.636 23 HA SER 5 HA SER 5 18.310 22.311 6.848 24 HB2 SER 5 HB2 SER 5 17.910 24.626 7.858 25 HB3 SER 5 HB3 SER 5 19.072 23.590 8.686 26 HG SER 5 HG SER 5 19.690 25.666 6.839 27 H VAL 6 H VAL 6 17.436 22.075 4.850 28 HA VAL 6 HA VAL 6 17.450 24.144 2.892 29 HB VAL 6 HB VAL 6 17.221 21.743 2.320 30 HG11 VAL 6 HG11 VAL 6 14.459 21.989 3.500 31 HG12 VAL 6 HG12 VAL 6 15.785 21.009 4.124 32 HG13 VAL 6 HG13 VAL 6 15.055 20.615 2.568 33 HG21 VAL 6 HG21 VAL 6 15.495 22.003 0.591 34 HG22 VAL 6 HG22 VAL 6 16.537 23.423 0.699 35 HG23 VAL 6 HG23 VAL 6 14.919 23.461 1.399 36 H PHE 7 H PHE 7 15.463 23.329 5.582 37 HA PHE 7 HA PHE 7 13.188 24.863 4.830 38 HB2 PHE 7 HB2 PHE 7 12.533 24.580 7.243 39 HB3 PHE 7 HB3 PHE 7 12.871 23.069 6.413 40 HD1 PHE 7 HD1 PHE 7 14.104 25.467 8.911 41 HD2 PHE 7 HD2 PHE 7 14.704 21.677 7.069 42 HE1 PHE 7 HE1 PHE 7 15.707 24.868 10.672 43 HE2 PHE 7 HE2 PHE 7 16.310 21.072 8.829 44 HZ PHE 7 HZ PHE 7 16.814 22.669 10.634 45 H GLY 8 H GLY 8 12.457 26.727 6.161 46 HA2 GLY 8 HA2 GLY 8 14.551 28.733 6.186 47 HA3 GLY 8 HA3 GLY 8 12.838 28.992 6.436 48 H ALA 9 H ALA 9 11.939 28.345 8.469 49 HA ALA 9 HA ALA 9 13.558 27.851 10.747 50 HB1 ALA 9 HB1 ALA 9 14.197 30.184 10.435 51 HB2 ALA 9 HB2 ALA 9 13.180 30.027 11.869 52 HB3 ALA 9 HB3 ALA 9 12.502 30.657 10.368 53 H GLY 10 H GLY 10 10.637 29.627 9.794 54 HA2 GLY 10 HA2 GLY 10 9.120 28.039 11.730 55 HA3 GLY 10 HA3 GLY 10 8.603 29.566 11.026 56 H CYS 11 H CYS 11 9.833 26.563 9.553 57 HA CYS 11 HA CYS 11 7.786 26.678 7.540 58 HB2 CYS 11 HB2 CYS 11 9.794 24.492 8.127 59 HB3 CYS 11 HB3 CYS 11 8.805 24.629 6.680 60 H THR 12 H THR 12 6.185 25.099 7.206 61 HA THR 12 HA THR 12 5.138 24.109 9.716 62 HB THR 12 HB THR 12 3.125 23.563 8.254 63 HG1 THR 12 HG1 THR 12 4.479 25.258 6.399 64 HG21 THR 12 HG21 THR 12 3.941 26.463 8.182 65 HG22 THR 12 HG22 THR 12 3.490 25.647 9.681 66 HG23 THR 12 HG23 THR 12 2.320 25.793 8.372 67 H ASP 13 H ASP 13 3.997 21.943 9.609 68 HA ASP 13 HA ASP 13 5.876 19.910 9.114 69 HB2 ASP 13 HB2 ASP 13 4.123 18.337 9.700 70 HB3 ASP 13 HB3 ASP 13 4.042 19.725 10.777 71 H VAL 14 H VAL 14 3.446 21.345 7.138 72 HA VAL 14 HA VAL 14 3.278 19.211 5.277 73 HB VAL 14 HB VAL 14 1.461 20.874 5.665 74 HG11 VAL 14 HG11 VAL 14 3.230 22.734 4.118 75 HG12 VAL 14 HG12 VAL 14 2.733 22.896 5.804 76 HG13 VAL 14 HG13 VAL 14 1.535 23.020 4.512 77 HG21 VAL 14 HG21 VAL 14 0.770 21.064 3.332 78 HG22 VAL 14 HG22 VAL 14 1.414 19.465 3.709 79 HG23 VAL 14 HG23 VAL 14 2.401 20.627 2.822 80 H CYS 15 H CYS 15 5.551 21.741 5.795 81 HA CYS 15 HA CYS 15 6.569 21.780 3.084 82 HB2 CYS 15 HB2 CYS 15 6.816 23.789 4.460 83 HB3 CYS 15 HB3 CYS 15 7.694 22.878 5.677 84 H LYS 16 H LYS 16 7.300 20.223 6.128 85 HA LYS 16 HA LYS 16 9.763 19.039 5.208 86 HB2 LYS 16 HB2 LYS 16 8.144 18.435 7.681 87 HB3 LYS 16 HB3 LYS 16 9.814 17.961 7.384 88 HG2 LYS 16 HG2 LYS 16 10.578 20.165 7.504 89 HG3 LYS 16 HG3 LYS 16 8.946 20.819 7.370 90 HD2 LYS 16 HD2 LYS 16 8.578 19.469 9.592 91 HD3 LYS 16 HD3 LYS 16 10.336 19.635 9.718 92 HE2 LYS 16 HE2 LYS 16 10.105 22.059 9.357 93 HE3 LYS 16 HE3 LYS 16 8.354 21.857 9.304 94 HZ1 LYS 16 HZ1 LYS 16 9.119 22.608 11.488 95 HZ2 LYS 16 HZ2 LYS 16 10.087 21.238 11.647 96 HZ3 LYS 16 HZ3 LYS 16 8.411 21.080 11.597 97 H GLN 17 H GLN 17 6.682 18.453 4.499 98 HA GLN 17 HA GLN 17 6.498 15.628 4.643 99 HB2 GLN 17 HB2 GLN 17 5.068 17.697 3.006 100 HB3 GLN 17 HB3 GLN 17 4.793 15.986 2.729 101 HG2 GLN 17 HG2 GLN 17 4.117 15.753 5.091 102 HG3 GLN 17 HG3 GLN 17 4.310 17.495 5.282 103 HE21 GLN 17 HE21 GLN 17 2.119 17.701 5.820 104 HE22 GLN 17 HE22 GLN 17 0.875 17.613 4.622 105 H THR 18 H THR 18 6.146 14.389 2.504 106 HA THR 18 HA THR 18 8.031 15.064 0.421 107 HB THR 18 HB THR 18 8.421 12.486 1.971 108 HG1 THR 18 HG1 THR 18 9.430 15.014 2.358 109 HG21 THR 18 HG21 THR 18 10.451 12.280 0.601 110 HG22 THR 18 HG22 THR 18 10.033 13.770 -0.242 111 HG23 THR 18 HG23 THR 18 9.006 12.345 -0.407 112 HA PRO 19 HA PRO 19 7.857 15.207 -1.588 113 HB2 PRO 19 HB2 PRO 19 5.979 16.229 -3.252 114 HB3 PRO 19 HB3 PRO 19 6.939 14.805 -3.661 115 HG2 PRO 19 HG2 PRO 19 4.142 14.969 -2.608 116 HG3 PRO 19 HG3 PRO 19 4.801 13.915 -3.873 117 HD2 PRO 19 HD2 PRO 19 4.368 13.071 -1.329 118 HD3 PRO 19 HD3 PRO 19 5.663 12.420 -2.351 119 H CYS 20 H CYS 20 7.617 17.565 -1.628 120 HA CYS 20 HA CYS 20 6.696 18.552 0.778 121 HB2 CYS 20 HB2 CYS 20 8.369 19.624 -0.763 122 HB3 CYS 20 HB3 CYS 20 7.009 20.179 -1.737 123 H GLY 21 H GLY 21 4.750 18.933 1.514 124 HA2 GLY 21 HA2 GLY 21 2.517 18.454 -0.207 125 HA3 GLY 21 HA3 GLY 21 2.485 18.714 1.527 126 H CYS 22 H CYS 22 4.165 21.292 0.752 127 HA CYS 22 HA CYS 22 1.980 23.066 0.984 128 HB2 CYS 22 HB2 CYS 22 4.822 23.550 0.140 129 HB3 CYS 22 HB3 CYS 22 3.654 24.846 0.350 130 H ALA 23 H ALA 23 3.342 21.551 -1.773 131 HA ALA 23 HA ALA 23 2.316 23.545 -3.606 132 HB1 ALA 23 HB1 ALA 23 4.478 22.491 -4.051 133 HB2 ALA 23 HB2 ALA 23 3.325 22.196 -5.354 134 HB3 ALA 23 HB3 ALA 23 3.675 20.927 -4.180 135 H THR 24 H THR 24 0.960 21.049 -1.963 136 HA THR 24 HA THR 24 -1.109 20.785 -4.026 137 HB THR 24 HB THR 24 0.150 18.681 -3.981 138 HG1 THR 24 HG1 THR 24 -1.951 18.298 -4.416 139 HG21 THR 24 HG21 THR 24 0.998 18.763 -1.692 140 HG22 THR 24 HG22 THR 24 0.153 17.244 -1.987 141 HG23 THR 24 HG23 THR 24 -0.633 18.526 -1.066 142 H SER 25 H SER 25 -0.289 21.108 -0.671 143 HA SER 25 HA SER 25 -3.117 21.121 0.090 144 HB2 SER 25 HB2 SER 25 -1.486 19.735 1.412 145 HB3 SER 25 HB3 SER 25 -0.671 21.224 1.869 146 HG SER 25 HG SER 25 -3.031 20.150 2.789 147 H GLY 26 H GLY 26 -0.202 23.128 0.079 148 HA2 GLY 26 HA2 GLY 26 -0.857 25.535 -0.396 149 HA3 GLY 26 HA3 GLY 26 -1.805 25.374 1.078 150 H CYS 27 H CYS 27 0.474 27.112 0.419 151 HA CYS 27 HA CYS 27 2.610 26.099 2.105 152 HB2 CYS 27 HB2 CYS 27 3.164 27.231 -0.000 153 HB3 CYS 27 HB3 CYS 27 2.379 28.695 0.583 154 H ASN 28 H ASN 28 3.175 26.907 4.091 155 HA ASN 28 HA ASN 28 1.536 29.086 5.206 156 HB2 ASN 28 HB2 ASN 28 2.036 26.438 6.579 157 HB3 ASN 28 HB3 ASN 28 1.195 27.810 7.287 158 HD21 ASN 28 HD21 ASN 28 1.024 25.152 5.091 159 HD22 ASN 28 HD22 ASN 28 -0.674 25.236 4.787 160 H CYS 29 H CYS 29 4.435 28.513 4.361 161 HA CYS 29 HA CYS 29 5.912 28.728 6.838 162 HB2 CYS 29 HB2 CYS 29 6.889 28.870 3.993 163 HB3 CYS 29 HB3 CYS 29 7.886 28.682 5.433 164 H THR 30 H THR 30 7.819 30.353 6.732 165 HA THR 30 HA THR 30 6.682 33.019 6.373 166 HB THR 30 HB THR 30 8.565 33.755 7.806 167 HG1 THR 30 HG1 THR 30 10.106 32.381 8.449 168 HG21 THR 30 HG21 THR 30 6.463 33.087 8.872 169 HG22 THR 30 HG22 THR 30 7.843 32.657 9.884 170 HG23 THR 30 HG23 THR 30 7.023 31.416 8.938 171 H ASP 31 H ASP 31 8.844 34.594 6.021 172 HA ASP 31 HA ASP 31 9.624 34.031 3.318 173 HB2 ASP 31 HB2 ASP 31 10.285 36.274 5.214 174 HB3 ASP 31 HB3 ASP 31 11.004 36.158 3.613 175 H ASP 32 H ASP 32 10.793 32.931 6.189 176 HA ASP 32 HA ASP 32 13.613 33.072 5.671 177 HB2 ASP 32 HB2 ASP 32 12.060 31.306 7.578 178 HB3 ASP 32 HB3 ASP 32 13.807 31.508 7.564 179 H CYS 33 H CYS 33 11.014 31.110 4.724 180 HA CYS 33 HA CYS 33 12.163 28.598 4.493 181 HB2 CYS 33 HB2 CYS 33 9.760 29.055 4.302 182 HB3 CYS 33 HB3 CYS 33 10.038 29.824 2.743 183 H LYS 34 H LYS 34 13.963 28.115 3.478 184 HA LYS 34 HA LYS 34 14.590 29.380 0.933 185 HB2 LYS 34 HB2 LYS 34 16.276 27.652 2.761 186 HB3 LYS 34 HB3 LYS 34 16.829 28.377 1.260 187 HG2 LYS 34 HG2 LYS 34 16.446 30.620 2.220 188 HG3 LYS 34 HG3 LYS 34 15.945 29.867 3.735 189 HD2 LYS 34 HD2 LYS 34 18.308 30.643 3.781 190 HD3 LYS 34 HD3 LYS 34 18.162 28.900 4.026 191 HE2 LYS 34 HE2 LYS 34 18.727 28.503 1.701 192 HE3 LYS 34 HE3 LYS 34 18.785 30.236 1.403 193 HZ1 LYS 34 HZ1 LYS 34 20.649 30.359 2.979 194 HZ2 LYS 34 HZ2 LYS 34 20.985 29.352 1.666 195 HZ3 LYS 34 HZ3 LYS 34 20.600 28.675 3.162 196 H CYS 35 H CYS 35 12.570 27.097 1.504 197 HA CYS 35 HA CYS 35 13.788 24.821 0.229 198 HB2 CYS 35 HB2 CYS 35 12.041 24.542 1.997 199 HB3 CYS 35 HB3 CYS 35 10.864 25.257 0.899 200 H GLN 36 H GLN 36 13.667 24.262 -1.817 201 HA GLN 36 HA GLN 36 12.642 26.265 -3.655 202 HB2 GLN 36 HB2 GLN 36 13.903 24.934 -5.356 203 HB3 GLN 36 HB3 GLN 36 14.896 25.556 -4.046 204 HG2 GLN 36 HG2 GLN 36 14.732 23.322 -2.953 205 HG3 GLN 36 HG3 GLN 36 13.905 22.733 -4.391 206 HE21 GLN 36 HE21 GLN 36 16.529 25.048 -4.475 207 HE22 GLN 36 HE22 GLN 36 17.686 23.995 -5.199 208 H SER 37 H SER 37 11.433 23.592 -2.196 209 HA SER 37 HA SER 37 10.163 22.461 -4.529 210 HB2 SER 37 HB2 SER 37 9.913 21.650 -1.633 211 HB3 SER 37 HB3 SER 37 9.355 20.730 -3.031 212 HG SER 37 HG SER 37 11.664 20.838 -3.728 213 H CYS 38 H CYS 38 9.053 24.108 -1.503 214 HA CYS 38 HA CYS 38 6.365 24.019 -2.493 215 HB2 CYS 38 HB2 CYS 38 5.787 25.356 -0.490 216 HB3 CYS 38 HB3 CYS 38 6.683 23.891 -0.107 217 H LYS 39 H LYS 39 8.995 26.233 -2.479 218 HA LYS 39 HA LYS 39 7.461 28.349 -3.742 219 HB2 LYS 39 HB2 LYS 39 10.337 28.022 -2.894 220 HB3 LYS 39 HB3 LYS 39 9.907 29.277 -4.043 221 HG2 LYS 39 HG2 LYS 39 10.036 30.202 -1.834 222 HG3 LYS 39 HG3 LYS 39 8.349 30.225 -2.360 223 HD2 LYS 39 HD2 LYS 39 8.088 28.080 -1.066 224 HD3 LYS 39 HD3 LYS 39 9.698 28.380 -0.415 225 HE2 LYS 39 HE2 LYS 39 8.154 29.206 1.177 226 HE3 LYS 39 HE3 LYS 39 8.845 30.612 0.370 227 HZ1 LYS 39 HZ1 LYS 39 6.484 30.871 0.593 228 HZ2 LYS 39 HZ2 LYS 39 6.192 29.397 -0.166 229 HZ3 LYS 39 HZ3 LYS 39 6.852 30.680 -1.044 230 H TYR 40 H TYR 40 7.051 26.207 -5.173 231 HA TYR 40 HA TYR 40 8.922 25.325 -6.985 232 HB2 TYR 40 HB2 TYR 40 7.024 24.580 -8.421 233 HB3 TYR 40 HB3 TYR 40 6.893 24.085 -6.739 234 HD1 TYR 40 HD1 TYR 40 5.457 26.130 -9.400 235 HD2 TYR 40 HD2 TYR 40 5.169 25.065 -5.291 236 HE1 TYR 40 HE1 TYR 40 3.194 27.083 -9.317 237 HE2 TYR 40 HE2 TYR 40 2.904 26.021 -5.197 238 HH TYR 40 HH TYR 40 1.514 27.589 -6.360 239 H GLY 41 H GLY 41 9.649 25.850 -8.924 240 HA2 GLY 41 HA2 GLY 41 8.905 27.402 -10.916 241 HA3 GLY 41 HA3 GLY 41 9.298 28.629 -9.710 242 H ALA 42 H ALA 42 11.296 26.954 -8.476 243 HA ALA 42 HA ALA 42 13.491 27.475 -10.309 244 HB1 ALA 42 HB1 ALA 42 13.648 28.327 -8.013 245 HB2 ALA 42 HB2 ALA 42 14.919 27.151 -8.349 246 HB3 ALA 42 HB3 ALA 42 13.513 26.680 -7.395 247 H GLY 43 H GLY 43 11.455 25.076 -10.072 248 HA2 GLY 43 HA2 GLY 43 13.504 23.038 -10.577 249 HA3 GLY 43 HA3 GLY 43 12.066 22.691 -9.650 250 H CYS 44 H CYS 44 10.811 24.635 -11.804 251 HA CYS 44 HA CYS 44 10.299 22.439 -13.694 252 HB2 CYS 44 HB2 CYS 44 8.341 24.066 -12.143 253 HB3 CYS 44 HB3 CYS 44 7.893 23.467 -13.740 254 H THR 45 H THR 45 8.640 23.415 -15.423 255 HA THR 45 HA THR 45 9.452 26.006 -16.366 256 HB THR 45 HB THR 45 11.173 24.454 -17.314 257 HG1 THR 45 HG1 THR 45 10.429 26.293 -18.532 258 HG21 THR 45 HG21 THR 45 10.480 22.799 -19.008 259 HG22 THR 45 HG22 THR 45 8.791 23.129 -18.623 260 HG23 THR 45 HG23 THR 45 9.847 22.412 -17.409 261 H ASP 46 H ASP 46 8.211 26.327 -18.541 262 HA ASP 46 HA ASP 46 5.438 25.936 -17.930 263 HB2 ASP 46 HB2 ASP 46 5.029 27.169 -20.028 264 HB3 ASP 46 HB3 ASP 46 6.183 27.997 -18.988 265 H THR 47 H THR 47 7.720 24.139 -19.647 266 HA THR 47 HA THR 47 5.925 22.919 -21.520 267 HB THR 47 HB THR 47 8.651 21.901 -20.754 268 HG1 THR 47 HG1 THR 47 7.905 24.260 -22.097 269 HG21 THR 47 HG21 THR 47 7.122 21.965 -23.364 270 HG22 THR 47 HG22 THR 47 7.315 20.558 -22.318 271 HG23 THR 47 HG23 THR 47 8.718 21.258 -23.121 272 H CYS 48 H CYS 48 6.844 22.364 -18.258 273 HA CYS 48 HA CYS 48 6.252 19.526 -18.308 274 HB2 CYS 48 HB2 CYS 48 8.063 20.246 -16.885 275 HB3 CYS 48 HB3 CYS 48 7.013 21.384 -16.050 276 H LYS 49 H LYS 49 4.685 22.496 -17.430 277 HA LYS 49 HA LYS 49 2.612 21.258 -15.867 278 HB2 LYS 49 HB2 LYS 49 1.638 23.488 -15.796 279 HB3 LYS 49 HB3 LYS 49 3.350 23.527 -15.393 280 HG2 LYS 49 HG2 LYS 49 3.869 24.279 -17.658 281 HG3 LYS 49 HG3 LYS 49 2.150 24.251 -18.056 282 HD2 LYS 49 HD2 LYS 49 3.412 25.917 -15.899 283 HD3 LYS 49 HD3 LYS 49 2.984 26.502 -17.507 284 HE2 LYS 49 HE2 LYS 49 0.631 25.907 -17.076 285 HE3 LYS 49 HE3 LYS 49 1.072 25.390 -15.450 286 HZ1 LYS 49 HZ1 LYS 49 1.395 28.142 -16.513 287 HZ2 LYS 49 HZ2 LYS 49 1.723 27.640 -14.931 288 HZ3 LYS 49 HZ3 LYS 49 0.138 27.628 -15.511 289 H GLN 50 H GLN 50 3.129 20.918 -18.992 290 HA GLN 50 HA GLN 50 0.621 21.700 -20.117 291 HB2 GLN 50 HB2 GLN 50 2.635 19.767 -21.237 292 HB3 GLN 50 HB3 GLN 50 1.382 20.630 -22.121 293 HG2 GLN 50 HG2 GLN 50 2.533 22.751 -21.286 294 HG3 GLN 50 HG3 GLN 50 3.889 21.695 -20.903 295 HE21 GLN 50 HE21 GLN 50 3.861 23.819 -22.737 296 HE22 GLN 50 HE22 GLN 50 4.172 23.163 -24.301 297 H THR 51 H THR 51 -0.066 19.467 -21.638 298 HA THR 51 HA THR 51 -0.730 17.377 -19.708 299 HB THR 51 HB THR 51 -2.818 18.701 -21.456 300 HG1 THR 51 HG1 THR 51 -2.063 19.088 -18.751 301 HG21 THR 51 HG21 THR 51 -3.247 16.332 -20.931 302 HG22 THR 51 HG22 THR 51 -4.403 17.393 -20.126 303 HG23 THR 51 HG23 THR 51 -3.070 16.688 -19.213 304 HA PRO 52 HA PRO 52 -0.575 15.383 -19.513 305 HB2 PRO 52 HB2 PRO 52 1.611 13.682 -20.508 306 HB3 PRO 52 HB3 PRO 52 0.131 13.217 -19.666 307 HG2 PRO 52 HG2 PRO 52 0.495 12.674 -22.271 308 HG3 PRO 52 HG3 PRO 52 -1.096 13.088 -21.614 309 HD2 PRO 52 HD2 PRO 52 0.831 14.810 -23.127 310 HD3 PRO 52 HD3 PRO 52 -0.934 14.682 -23.292 311 H CYS 53 H CYS 53 2.317 15.683 -21.563 312 HA CYS 53 HA CYS 53 3.383 17.812 -20.011 313 HB2 CYS 53 HB2 CYS 53 3.911 15.856 -18.589 314 HB3 CYS 53 HB3 CYS 53 4.819 15.163 -19.922 315 H GLY 54 H GLY 54 4.874 18.943 -21.195 316 HA2 GLY 54 HA2 GLY 54 5.281 18.015 -23.914 317 HA3 GLY 54 HA3 GLY 54 5.688 19.601 -23.271 318 H CYS 55 H CYS 55 7.058 18.179 -20.942 319 HA CYS 55 HA CYS 55 9.646 18.216 -22.072 320 HB2 CYS 55 HB2 CYS 55 8.631 17.428 -19.351 321 HB3 CYS 55 HB3 CYS 55 10.336 17.552 -19.774 322 H GLY 56 H GLY 56 7.268 15.830 -21.741 323 HA2 GLY 56 HA2 GLY 56 8.820 13.499 -21.499 324 HA3 GLY 56 HA3 GLY 56 7.238 13.591 -22.264 325 H SER 57 H SER 57 8.525 15.733 -24.065 326 HA SER 57 HA SER 57 10.093 13.958 -25.799 327 HB2 SER 57 HB2 SER 57 7.950 15.896 -26.708 328 HB3 SER 57 HB3 SER 57 8.930 14.864 -27.750 329 HG SER 57 HG SER 57 7.692 13.455 -25.782 330 H GLY 58 H GLY 58 10.745 16.134 -23.849 331 HA2 GLY 58 HA2 GLY 58 12.908 17.331 -24.816 332 HA3 GLY 58 HA3 GLY 58 11.655 18.326 -25.548 333 H CYS 59 H CYS 59 13.103 17.295 -22.545 334 HA CYS 59 HA CYS 59 11.467 18.902 -20.864 335 HB2 CYS 59 HB2 CYS 59 12.449 16.974 -19.926 336 HB3 CYS 59 HB3 CYS 59 14.066 17.454 -20.431 337 H ASN 60 H ASN 60 11.973 20.767 -19.730 338 HA ASN 60 HA ASN 60 14.349 22.286 -20.505 339 HB2 ASN 60 HB2 ASN 60 12.528 22.869 -22.130 340 HB3 ASN 60 HB3 ASN 60 11.533 23.400 -20.785 341 HD21 ASN 60 HD21 ASN 60 11.791 25.423 -20.008 342 HD22 ASN 60 HD22 ASN 60 12.946 26.562 -20.610 343 H CYS 61 H CYS 61 13.019 20.952 -18.074 344 HA CYS 61 HA CYS 61 12.224 23.037 -16.308 345 HB2 CYS 61 HB2 CYS 61 12.856 20.138 -15.953 346 HB3 CYS 61 HB3 CYS 61 12.618 21.175 -14.550 347 H LYS 62 H LYS 62 13.350 22.795 -13.978 348 HA LYS 62 HA LYS 62 15.987 23.975 -14.411 349 HB2 LYS 62 HB2 LYS 62 14.198 23.927 -11.987 350 HB3 LYS 62 HB3 LYS 62 15.707 24.805 -12.091 351 HG2 LYS 62 HG2 LYS 62 13.489 25.365 -14.025 352 HG3 LYS 62 HG3 LYS 62 13.449 26.057 -12.400 353 HD2 LYS 62 HD2 LYS 62 15.745 26.392 -14.356 354 HD3 LYS 62 HD3 LYS 62 14.446 27.565 -14.147 355 HE2 LYS 62 HE2 LYS 62 15.081 27.773 -11.762 356 HE3 LYS 62 HE3 LYS 62 16.433 26.683 -12.053 357 HZ1 LYS 62 HZ1 LYS 62 17.349 28.269 -13.608 358 HZ2 LYS 62 HZ2 LYS 62 17.085 29.023 -12.116 359 HZ3 LYS 62 HZ3 LYS 62 16.025 29.294 -13.396 360 H GLU 63 H GLU 63 14.661 22.106 -11.658 361 HA GLU 63 HA GLU 63 16.364 19.876 -11.952 362 HB2 GLU 63 HB2 GLU 63 17.957 21.811 -11.244 363 HB3 GLU 63 HB3 GLU 63 17.236 21.620 -9.655 364 HG2 GLU 63 HG2 GLU 63 18.057 19.409 -9.446 365 HG3 GLU 63 HG3 GLU 63 18.510 19.344 -11.148 366 H ASP 64 H ASP 64 14.580 21.914 -9.691 367 HA ASP 64 HA ASP 64 13.843 19.720 -7.955 368 HB2 ASP 64 HB2 ASP 64 14.147 22.015 -7.019 369 HB3 ASP 64 HB3 ASP 64 12.845 22.597 -8.016 370 H CYS 65 H CYS 65 13.093 18.866 -10.290 371 HA CYS 65 HA CYS 65 10.264 19.489 -10.629 372 HB2 CYS 65 HB2 CYS 65 11.529 19.495 -12.663 373 HB3 CYS 65 HB3 CYS 65 12.148 17.878 -12.330 374 H ARG 66 H ARG 66 8.759 18.272 -9.752 375 HA ARG 66 HA ARG 66 9.425 15.712 -8.556 376 HB2 ARG 66 HB2 ARG 66 7.389 17.785 -8.205 377 HB3 ARG 66 HB3 ARG 66 6.795 16.143 -8.016 378 HG2 ARG 66 HG2 ARG 66 8.005 15.776 -6.142 379 HG3 ARG 66 HG3 ARG 66 9.288 16.881 -6.621 380 HD2 ARG 66 HD2 ARG 66 6.584 17.950 -6.010 381 HD3 ARG 66 HD3 ARG 66 7.682 17.536 -4.690 382 HE ARG 66 HE ARG 66 9.305 19.025 -6.073 383 HH11 ARG 66 HH11 ARG 66 5.894 19.597 -5.515 384 HH12 ARG 66 HH12 ARG 66 6.034 21.315 -5.642 385 HH21 ARG 66 HH21 ARG 66 9.505 21.307 -6.240 386 HH22 ARG 66 HH22 ARG 66 8.094 22.286 -6.023 387 H CYS 67 H CYS 67 8.727 16.390 -11.580 388 HA CYS 67 HA CYS 67 6.489 14.610 -11.991 389 HB2 CYS 67 HB2 CYS 67 6.916 16.637 -13.421 390 HB3 CYS 67 HB3 CYS 67 8.325 15.810 -14.066 391 H GLN 68 H GLN 68 6.605 12.615 -13.129 392 HA GLN 68 HA GLN 68 9.273 11.390 -13.002 393 HB2 GLN 68 HB2 GLN 68 7.973 9.185 -12.937 394 HB3 GLN 68 HB3 GLN 68 7.941 10.178 -11.489 395 HG2 GLN 68 HG2 GLN 68 5.734 10.723 -13.322 396 HG3 GLN 68 HG3 GLN 68 5.765 9.067 -12.725 397 HE21 GLN 68 HE21 GLN 68 7.062 11.683 -10.846 398 HE22 GLN 68 HE22 GLN 68 5.839 11.694 -9.630 399 H SER 69 H SER 69 7.572 12.829 -15.205 400 HA SER 69 HA SER 69 7.625 10.717 -17.203 401 HB2 SER 69 HB2 SER 69 5.630 12.197 -17.052 402 HB3 SER 69 HB3 SER 69 6.648 13.573 -17.471 403 HG SER 69 HG SER 69 5.585 11.624 -19.073 404 H CYS 70 H CYS 70 9.084 13.886 -16.550 405 HA CYS 70 HA CYS 70 10.785 13.474 -18.872 406 HB2 CYS 70 HB2 CYS 70 11.323 15.904 -18.644 407 HB3 CYS 70 HB3 CYS 70 9.631 15.541 -18.909 408 H SER 71 H SER 71 10.923 13.327 -15.469 409 HA SER 71 HA SER 71 13.655 13.881 -15.052 410 HB2 SER 71 HB2 SER 71 11.790 12.039 -13.537 411 HB3 SER 71 HB3 SER 71 13.378 12.558 -12.963 412 HG SER 71 HG SER 71 11.136 13.795 -12.571 413 H THR 72 H THR 72 15.416 12.319 -14.629 414 HA THR 72 HA THR 72 15.597 10.495 -16.810 415 HB THR 72 HB THR 72 17.523 11.869 -15.797 416 HG1 THR 72 HG1 THR 72 18.996 10.296 -16.436 417 HG21 THR 72 HG21 THR 72 17.187 11.184 -13.444 418 HG22 THR 72 HG22 THR 72 18.808 10.788 -14.016 419 HG23 THR 72 HG23 THR 72 17.591 9.522 -13.884 420 H ALA 73 H ALA 73 16.492 8.228 -16.419 421 HA ALA 73 HA ALA 73 14.579 6.791 -14.877 422 HB1 ALA 73 HB1 ALA 73 17.014 5.802 -16.363 423 HB2 ALA 73 HB2 ALA 73 15.389 5.946 -17.031 424 HB3 ALA 73 HB3 ALA 73 15.709 4.799 -15.731 425 H CYS 74 H CYS 74 14.778 6.886 -12.740 426 HA CYS 74 HA CYS 74 17.066 7.235 -11.234 427 HB2 CYS 74 HB2 CYS 74 14.319 6.612 -10.737 428 HB3 CYS 74 HB3 CYS 74 15.328 5.565 -9.745 429 H LYS 75 H LYS 75 18.494 5.914 -10.251 430 HA LYS 75 HA LYS 75 18.894 3.337 -11.570 431 HB2 LYS 75 HB2 LYS 75 20.594 5.035 -9.791 432 HB3 LYS 75 HB3 LYS 75 20.971 3.324 -9.932 433 HG2 LYS 75 HG2 LYS 75 20.806 5.273 -12.229 434 HG3 LYS 75 HG3 LYS 75 22.293 4.695 -11.476 435 HD2 LYS 75 HD2 LYS 75 21.722 2.393 -12.137 436 HD3 LYS 75 HD3 LYS 75 20.246 2.977 -12.903 437 HE2 LYS 75 HE2 LYS 75 21.683 2.831 -14.697 438 HE3 LYS 75 HE3 LYS 75 21.857 4.522 -14.222 439 HZ1 LYS 75 HZ1 LYS 75 23.677 2.309 -13.467 440 HZ2 LYS 75 HZ2 LYS 75 23.861 3.920 -12.993 441 HZ3 LYS 75 HZ3 LYS 75 23.999 3.494 -14.625 442 H CYS 76 H CYS 76 16.637 3.364 -9.995 443 HA CYS 76 HA CYS 76 17.333 1.870 -7.636 444 HB2 CYS 76 HB2 CYS 76 14.724 2.949 -8.625 445 HB3 CYS 76 HB3 CYS 76 14.905 1.980 -7.162 446 H ALA 77 H ALA 77 16.016 0.039 -7.093 447 HA ALA 77 HA ALA 77 14.684 -1.642 -8.830 448 HB1 ALA 77 HB1 ALA 77 17.584 -2.375 -8.425 449 HB2 ALA 77 HB2 ALA 77 16.899 -1.792 -9.941 450 HB3 ALA 77 HB3 ALA 77 16.366 -3.338 -9.271 451 H ALA 78 H ALA 78 15.412 -4.064 -7.763 452 HA ALA 78 HA ALA 78 13.912 -4.189 -5.496 453 HB1 ALA 78 HB1 ALA 78 16.226 -6.015 -6.102 454 HB2 ALA 78 HB2 ALA 78 14.620 -6.134 -6.819 455 HB3 ALA 78 HB3 ALA 78 14.831 -6.379 -5.085 456 H GLY 79 H GLY 79 14.440 -2.429 -4.215 457 HA2 GLY 79 HA2 GLY 79 15.054 -1.913 -1.991 458 HA3 GLY 79 HA3 GLY 79 16.257 -3.189 -2.054 459 H SER 80 H SER 80 16.058 -0.772 -4.555 460 HA SER 80 HA SER 80 18.606 0.289 -3.559 461 HB2 SER 80 HB2 SER 80 18.553 -0.859 -5.815 462 HB3 SER 80 HB3 SER 80 17.592 0.493 -6.392 463 HG SER 80 HG SER 80 19.345 1.667 -6.500 464 H CYS 81 H CYS 81 15.354 1.159 -3.858 465 HA CYS 81 HA CYS 81 15.846 3.964 -4.351 466 HB2 CYS 81 HB2 CYS 81 13.719 3.066 -5.119 467 HB3 CYS 81 HB3 CYS 81 13.315 2.527 -3.495 468 H LYS 82 H LYS 82 17.273 4.472 -2.657 469 HA LYS 82 HA LYS 82 16.550 3.885 0.071 470 HB2 LYS 82 HB2 LYS 82 18.681 5.009 0.678 471 HB3 LYS 82 HB3 LYS 82 18.876 3.685 -0.453 472 HG2 LYS 82 HG2 LYS 82 18.645 6.453 -1.532 473 HG3 LYS 82 HG3 LYS 82 20.151 5.975 -0.757 474 HD2 LYS 82 HD2 LYS 82 18.843 4.496 -3.050 475 HD3 LYS 82 HD3 LYS 82 20.166 5.645 -3.215 476 HE2 LYS 82 HE2 LYS 82 20.257 3.055 -1.661 477 HE3 LYS 82 HE3 LYS 82 20.961 3.332 -3.249 478 HZ1 LYS 82 HZ1 LYS 82 22.631 3.508 -1.542 479 HZ2 LYS 82 HZ2 LYS 82 21.748 4.695 -0.734 480 HZ3 LYS 82 HZ3 LYS 82 22.396 5.019 -2.260 481 H CYS 83 H CYS 83 15.064 5.939 -1.692 482 HA CYS 83 HA CYS 83 15.400 8.349 -0.161 483 HB2 CYS 83 HB2 CYS 83 14.752 8.487 -2.529 484 HB3 CYS 83 HB3 CYS 83 13.269 7.607 -2.179 485 H GLY 84 H GLY 84 13.159 5.680 -0.305 486 HA2 GLY 84 HA2 GLY 84 12.262 5.153 2.001 487 HA3 GLY 84 HA3 GLY 84 11.703 6.824 1.984 488 H LYS 85 H LYS 85 11.195 6.739 -0.861 489 HA LYS 85 HA LYS 85 8.504 6.045 -0.913 490 HB2 LYS 85 HB2 LYS 85 10.485 6.319 -3.189 491 HB3 LYS 85 HB3 LYS 85 8.738 6.288 -3.380 492 HG2 LYS 85 HG2 LYS 85 10.187 8.351 -1.732 493 HG3 LYS 85 HG3 LYS 85 9.778 8.568 -3.437 494 HD2 LYS 85 HD2 LYS 85 7.498 8.587 -3.012 495 HD3 LYS 85 HD3 LYS 85 7.693 7.771 -1.463 496 HE2 LYS 85 HE2 LYS 85 8.801 9.787 -0.612 497 HE3 LYS 85 HE3 LYS 85 8.406 10.601 -2.129 498 HZ1 LYS 85 HZ1 LYS 85 6.071 10.260 -1.700 499 HZ2 LYS 85 HZ2 LYS 85 6.744 11.026 -0.353 500 HZ3 LYS 85 HZ3 LYS 85 6.406 9.375 -0.308 501 H GLY 86 H GLY 86 11.364 4.340 -2.008 502 HA2 GLY 86 HA2 GLY 86 11.784 2.065 -2.213 503 HA3 GLY 86 HA3 GLY 86 10.278 1.782 -1.360 504 H CYS 87 H CYS 87 10.588 3.581 -4.321 505 HA CYS 87 HA CYS 87 8.533 2.080 -5.572 506 HB2 CYS 87 HB2 CYS 87 10.449 4.032 -6.832 507 HB3 CYS 87 HB3 CYS 87 8.834 3.600 -7.393 508 H THR 88 H THR 88 11.983 1.953 -5.595 509 HA THR 88 HA THR 88 13.510 0.564 -6.527 510 HB THR 88 HB THR 88 12.943 -1.830 -6.583 511 HG1 THR 88 HG1 THR 88 10.401 -0.861 -6.907 512 HG21 THR 88 HG21 THR 88 13.394 -0.775 -4.417 513 HG22 THR 88 HG22 THR 88 12.209 -2.071 -4.253 514 HG23 THR 88 HG23 THR 88 11.683 -0.388 -4.242 515 H GLY 89 H GLY 89 12.497 2.217 -8.431 516 HA2 GLY 89 HA2 GLY 89 13.242 1.203 -10.838 517 HA3 GLY 89 HA3 GLY 89 11.539 0.770 -10.724 518 HA PRO 90 HA PRO 90 12.402 5.427 -11.727 519 HB2 PRO 90 HB2 PRO 90 12.677 5.436 -14.425 520 HB3 PRO 90 HB3 PRO 90 14.048 5.301 -13.318 521 HG2 PRO 90 HG2 PRO 90 12.630 3.164 -14.848 522 HG3 PRO 90 HG3 PRO 90 14.368 3.383 -14.562 523 HD2 PRO 90 HD2 PRO 90 12.839 1.613 -13.157 524 HD3 PRO 90 HD3 PRO 90 14.270 2.410 -12.476 525 H ASP 91 H ASP 91 10.557 2.919 -13.224 526 HA ASP 91 HA ASP 91 8.574 4.659 -14.376 527 HB2 ASP 91 HB2 ASP 91 7.361 2.573 -14.829 528 HB3 ASP 91 HB3 ASP 91 9.038 2.469 -15.357 529 H SER 92 H SER 92 9.235 3.382 -11.325 530 HA SER 92 HA SER 92 6.466 3.721 -10.441 531 HB2 SER 92 HB2 SER 92 8.752 2.330 -9.041 532 HB3 SER 92 HB3 SER 92 7.063 2.344 -8.530 533 HG SER 92 HG SER 92 7.302 1.521 -11.104 534 H CYS 93 H CYS 93 9.673 5.020 -10.140 535 HA CYS 93 HA CYS 93 9.355 6.323 -7.676 536 HB2 CYS 93 HB2 CYS 93 11.226 6.747 -9.982 537 HB3 CYS 93 HB3 CYS 93 11.200 7.880 -8.635 538 H LYS 94 H LYS 94 8.386 8.056 -7.094 539 HA LYS 94 HA LYS 94 7.191 9.870 -9.127 540 HB2 LYS 94 HB2 LYS 94 6.433 9.499 -6.243 541 HB3 LYS 94 HB3 LYS 94 5.574 10.450 -7.446 542 HG2 LYS 94 HG2 LYS 94 4.898 8.542 -8.604 543 HG3 LYS 94 HG3 LYS 94 5.993 7.506 -7.677 544 HD2 LYS 94 HD2 LYS 94 4.756 7.959 -5.671 545 HD3 LYS 94 HD3 LYS 94 3.696 9.065 -6.550 546 HE2 LYS 94 HE2 LYS 94 3.999 6.112 -7.036 547 HE3 LYS 94 HE3 LYS 94 2.623 6.902 -6.267 548 HZ1 LYS 94 HZ1 LYS 94 2.219 6.365 -8.610 549 HZ2 LYS 94 HZ2 LYS 94 3.503 7.353 -9.074 550 HZ3 LYS 94 HZ3 LYS 94 2.145 8.030 -8.339 551 H CYS 95 H CYS 95 9.805 9.683 -7.615 552 HA CYS 95 HA CYS 95 9.844 11.926 -5.863 553 HB2 CYS 95 HB2 CYS 95 12.193 10.409 -6.925 554 HB3 CYS 95 HB3 CYS 95 12.014 11.224 -5.370 555 H ASP 96 H ASP 96 11.614 13.552 -6.137 556 HA ASP 96 HA ASP 96 11.363 14.686 -8.780 557 HB2 ASP 96 HB2 ASP 96 12.289 16.721 -7.771 558 HB3 ASP 96 HB3 ASP 96 10.908 16.116 -6.872 559 H ARG 97 H ARG 97 13.600 16.164 -9.051 560 HA ARG 97 HA ARG 97 15.478 14.044 -9.761 561 HB2 ARG 97 HB2 ARG 97 15.713 16.920 -10.631 562 HB3 ARG 97 HB3 ARG 97 16.296 15.476 -11.452 563 HG2 ARG 97 HG2 ARG 97 13.890 14.828 -11.814 564 HG3 ARG 97 HG3 ARG 97 13.464 16.412 -11.160 565 HD2 ARG 97 HD2 ARG 97 13.448 16.373 -13.633 566 HD3 ARG 97 HD3 ARG 97 14.596 17.529 -12.970 567 HE ARG 97 HE ARG 97 16.112 15.329 -13.395 568 HH11 ARG 97 HH11 ARG 97 13.876 17.095 -15.459 569 HH12 ARG 97 HH12 ARG 97 14.779 16.820 -16.903 570 HH21 ARG 97 HH21 ARG 97 17.321 14.963 -15.321 571 HH22 ARG 97 HH22 ARG 97 16.746 15.587 -16.826 572 H SER 98 H SER 98 15.101 15.725 -7.107 573 HA SER 98 HA SER 98 17.992 15.803 -6.585 574 HB2 SER 98 HB2 SER 98 16.003 17.943 -5.793 575 HB3 SER 98 HB3 SER 98 17.686 17.882 -5.267 576 HG SER 98 HG SER 98 16.853 17.980 -7.976 577 H CYS 99 H CYS 99 15.413 14.115 -5.902 578 HA CYS 99 HA CYS 99 15.005 14.357 -3.153 579 HB2 CYS 99 HB2 CYS 99 13.837 12.237 -3.440 580 HB3 CYS 99 HB3 CYS 99 13.359 13.425 -4.639 581 H SER 100 H SER 100 15.178 12.066 -1.935 582 HA SER 100 HA SER 100 17.841 11.945 -1.155 583 HB2 SER 100 HB2 SER 100 15.564 10.082 -0.586 584 HB3 SER 100 HB3 SER 100 17.110 10.050 0.273 585 HG SER 100 HG SER 100 16.182 11.473 1.504 586 H CYS 101 H CYS 101 16.096 9.803 -3.422 587 HA CYS 101 HA CYS 101 18.588 8.291 -3.602 588 HB2 CYS 101 HB2 CYS 101 17.270 6.688 -5.096 589 HB3 CYS 101 HB3 CYS 101 16.838 6.724 -3.398 590 H LYS 102 H LYS 102 16.579 10.456 -5.449 591 HA LYS 102 HA LYS 102 18.699 10.497 -7.447 592 HB2 LYS 102 HB2 LYS 102 16.896 9.680 -8.640 593 HB3 LYS 102 HB3 LYS 102 15.737 10.654 -7.746 594 HG2 LYS 102 HG2 LYS 102 15.751 11.712 -9.711 595 HG3 LYS 102 HG3 LYS 102 16.993 12.633 -8.856 596 HD2 LYS 102 HD2 LYS 102 17.326 10.525 -10.990 597 HD3 LYS 102 HD3 LYS 102 17.725 12.230 -11.100 598 HE2 LYS 102 HE2 LYS 102 19.110 10.280 -9.269 599 HE3 LYS 102 HE3 LYS 102 19.655 10.696 -10.888 600 HZ1 LYS 102 HZ1 LYS 102 20.820 11.971 -9.209 601 HZ2 LYS 102 HZ2 LYS 102 19.378 12.621 -8.626 602 HZ3 LYS 102 HZ3 LYS 102 19.906 12.986 -10.201 Start of MODEL 11 1 HA2 GLY 1 HA2 GLY 1 14.516 13.175 12.127 2 HA3 GLY 1 HA3 GLY 1 16.029 13.338 13.003 3 H SER 2 H SER 2 16.179 16.147 11.769 4 HA SER 2 HA SER 2 14.696 17.420 13.933 5 HB2 SER 2 HB2 SER 2 16.768 18.574 12.053 6 HB3 SER 2 HB3 SER 2 16.104 19.363 13.482 7 HG SER 2 HG SER 2 18.062 18.442 14.019 8 H MET 3 H MET 3 13.733 19.610 13.391 9 HA MET 3 HA MET 3 12.882 20.046 10.693 10 HB2 MET 3 HB2 MET 3 11.265 18.335 11.355 11 HB3 MET 3 HB3 MET 3 10.835 19.272 12.776 12 HG2 MET 3 HG2 MET 3 9.102 19.762 11.353 13 HG3 MET 3 HG3 MET 3 10.191 21.111 11.059 14 HE1 MET 3 HE1 MET 3 11.539 21.505 8.962 15 HE2 MET 3 HE2 MET 3 11.500 20.529 7.497 16 HE3 MET 3 HE3 MET 3 12.409 19.968 8.895 17 H SER 4 H SER 4 13.365 22.116 10.609 18 HA SER 4 HA SER 4 12.803 23.877 12.853 19 HB2 SER 4 HB2 SER 4 13.958 25.568 11.351 20 HB3 SER 4 HB3 SER 4 14.948 24.190 11.826 21 HG SER 4 HG SER 4 14.913 23.441 9.826 22 H SER 5 H SER 5 12.037 26.218 11.874 23 HA SER 5 HA SER 5 9.338 25.845 11.103 24 HB2 SER 5 HB2 SER 5 10.207 27.799 12.428 25 HB3 SER 5 HB3 SER 5 10.964 28.398 10.955 26 HG SER 5 HG SER 5 9.117 29.224 10.431 27 H VAL 6 H VAL 6 9.117 24.803 9.190 28 HA VAL 6 HA VAL 6 10.615 25.747 6.874 29 HB VAL 6 HB VAL 6 10.456 23.299 7.435 30 HG11 VAL 6 HG11 VAL 6 8.163 23.165 8.139 31 HG12 VAL 6 HG12 VAL 6 8.430 22.083 6.773 32 HG13 VAL 6 HG13 VAL 6 7.607 23.623 6.531 33 HG21 VAL 6 HG21 VAL 6 10.174 22.553 5.131 34 HG22 VAL 6 HG22 VAL 6 11.106 24.049 5.210 35 HG23 VAL 6 HG23 VAL 6 9.409 24.089 4.728 36 H PHE 7 H PHE 7 7.628 26.312 8.297 37 HA PHE 7 HA PHE 7 6.245 26.750 5.773 38 HB2 PHE 7 HB2 PHE 7 4.266 27.210 7.080 39 HB3 PHE 7 HB3 PHE 7 5.014 25.741 7.683 40 HD1 PHE 7 HD1 PHE 7 3.904 29.066 8.466 41 HD2 PHE 7 HD2 PHE 7 6.326 25.846 9.826 42 HE1 PHE 7 HE1 PHE 7 3.882 30.013 10.733 43 HE2 PHE 7 HE2 PHE 7 6.309 26.785 12.096 44 HZ PHE 7 HZ PHE 7 5.085 28.874 12.553 45 H GLY 8 H GLY 8 5.106 28.799 5.421 46 HA2 GLY 8 HA2 GLY 8 6.897 31.046 5.843 47 HA3 GLY 8 HA3 GLY 8 5.425 31.036 4.883 48 H ALA 9 H ALA 9 3.581 31.798 5.728 49 HA ALA 9 HA ALA 9 3.625 32.540 8.583 50 HB1 ALA 9 HB1 ALA 9 3.715 34.499 7.108 51 HB2 ALA 9 HB2 ALA 9 2.212 34.453 8.032 52 HB3 ALA 9 HB3 ALA 9 2.218 33.980 6.333 53 H GLY 10 H GLY 10 1.823 31.123 5.986 54 HA2 GLY 10 HA2 GLY 10 0.088 29.727 7.769 55 HA3 GLY 10 HA3 GLY 10 -0.753 31.023 6.927 56 H CYS 11 H CYS 11 1.381 28.290 6.333 57 HA CYS 11 HA CYS 11 0.763 28.124 3.573 58 HB2 CYS 11 HB2 CYS 11 2.015 26.048 5.361 59 HB3 CYS 11 HB3 CYS 11 2.096 26.108 3.603 60 H THR 12 H THR 12 -0.255 26.340 2.479 61 HA THR 12 HA THR 12 -2.730 25.616 3.703 62 HB THR 12 HB THR 12 -3.009 24.472 1.427 63 HG1 THR 12 HG1 THR 12 -1.440 24.894 -0.077 64 HG21 THR 12 HG21 THR 12 -3.404 26.603 0.299 65 HG22 THR 12 HG22 THR 12 -2.419 27.431 1.501 66 HG23 THR 12 HG23 THR 12 -3.950 26.690 1.977 67 H ASP 13 H ASP 13 -3.502 23.305 3.395 68 HA ASP 13 HA ASP 13 -1.792 21.591 4.877 69 HB2 ASP 13 HB2 ASP 13 -4.241 21.484 5.071 70 HB3 ASP 13 HB3 ASP 13 -4.351 20.931 3.402 71 H VAL 14 H VAL 14 -2.378 22.060 1.500 72 HA VAL 14 HA VAL 14 -1.307 19.606 0.577 73 HB VAL 14 HB VAL 14 -2.737 21.125 -0.818 74 HG11 VAL 14 HG11 VAL 14 -0.235 22.772 -1.009 75 HG12 VAL 14 HG12 VAL 14 -1.783 23.256 -0.307 76 HG13 VAL 14 HG13 VAL 14 -1.650 22.953 -2.043 77 HG21 VAL 14 HG21 VAL 14 -1.463 19.331 -1.858 78 HG22 VAL 14 HG22 VAL 14 -0.087 20.418 -2.053 79 HG23 VAL 14 HG23 VAL 14 -1.588 20.729 -2.924 80 H CYS 15 H CYS 15 0.137 22.475 1.819 81 HA CYS 15 HA CYS 15 2.726 22.030 0.638 82 HB2 CYS 15 HB2 CYS 15 2.038 24.308 1.178 83 HB3 CYS 15 HB3 CYS 15 1.789 23.864 2.861 84 H LYS 16 H LYS 16 1.007 21.296 3.580 85 HA LYS 16 HA LYS 16 3.301 20.292 4.967 86 HB2 LYS 16 HB2 LYS 16 0.371 19.952 5.610 87 HB3 LYS 16 HB3 LYS 16 1.721 19.678 6.699 88 HG2 LYS 16 HG2 LYS 16 0.868 22.337 5.552 89 HG3 LYS 16 HG3 LYS 16 0.616 21.782 7.205 90 HD2 LYS 16 HD2 LYS 16 2.534 22.890 7.631 91 HD3 LYS 16 HD3 LYS 16 3.298 21.464 6.918 92 HE2 LYS 16 HE2 LYS 16 3.184 22.606 4.700 93 HE3 LYS 16 HE3 LYS 16 2.626 24.054 5.534 94 HZ1 LYS 16 HZ1 LYS 16 5.215 22.688 6.003 95 HZ2 LYS 16 HZ2 LYS 16 4.699 24.098 6.771 96 HZ3 LYS 16 HZ3 LYS 16 5.004 24.098 5.099 97 H GLN 17 H GLN 17 1.890 19.146 2.345 98 HA GLN 17 HA GLN 17 1.347 16.426 2.998 99 HB2 GLN 17 HB2 GLN 17 1.762 17.926 0.436 100 HB3 GLN 17 HB3 GLN 17 1.750 16.171 0.421 101 HG2 GLN 17 HG2 GLN 17 -0.498 16.191 1.397 102 HG3 GLN 17 HG3 GLN 17 -0.477 17.952 1.385 103 HE21 GLN 17 HE21 GLN 17 -2.336 17.921 0.052 104 HE22 GLN 17 HE22 GLN 17 -2.220 17.575 -1.638 105 H THR 18 H THR 18 2.650 14.772 1.522 106 HA THR 18 HA THR 18 5.488 15.198 1.492 107 HB THR 18 HB THR 18 4.387 13.125 3.423 108 HG1 THR 18 HG1 THR 18 4.925 15.723 3.760 109 HG21 THR 18 HG21 THR 18 6.442 12.389 2.297 110 HG22 THR 18 HG22 THR 18 6.751 12.741 3.997 111 HG23 THR 18 HG23 THR 18 7.237 13.895 2.755 112 HA PRO 19 HA PRO 19 6.826 14.981 -0.028 113 HB2 PRO 19 HB2 PRO 19 6.138 15.112 -2.888 114 HB3 PRO 19 HB3 PRO 19 7.702 14.793 -2.131 115 HG2 PRO 19 HG2 PRO 19 6.334 12.861 -3.398 116 HG3 PRO 19 HG3 PRO 19 7.305 12.526 -1.952 117 HD2 PRO 19 HD2 PRO 19 4.338 12.889 -2.199 118 HD3 PRO 19 HD3 PRO 19 5.250 11.681 -1.269 119 H CYS 20 H CYS 20 6.732 17.261 -0.556 120 HA CYS 20 HA CYS 20 4.373 18.474 0.181 121 HB2 CYS 20 HB2 CYS 20 6.493 19.617 0.346 122 HB3 CYS 20 HB3 CYS 20 6.658 19.625 -1.407 123 H GLY 21 H GLY 21 2.576 18.935 -0.791 124 HA2 GLY 21 HA2 GLY 21 2.210 18.030 -3.477 125 HA3 GLY 21 HA3 GLY 21 0.978 18.636 -2.380 126 H CYS 22 H CYS 22 2.934 21.060 -2.032 127 HA CYS 22 HA CYS 22 1.548 22.770 -3.786 128 HB2 CYS 22 HB2 CYS 22 4.005 23.127 -2.105 129 HB3 CYS 22 HB3 CYS 22 3.482 24.394 -3.208 130 H ALA 23 H ALA 23 4.260 20.766 -4.380 131 HA ALA 23 HA ALA 23 5.110 22.407 -6.629 132 HB1 ALA 23 HB1 ALA 23 7.047 20.957 -6.776 133 HB2 ALA 23 HB2 ALA 23 6.356 19.882 -5.559 134 HB3 ALA 23 HB3 ALA 23 6.828 21.524 -5.120 135 H THR 24 H THR 24 3.038 19.776 -6.120 136 HA THR 24 HA THR 24 3.169 19.208 -9.002 137 HB THR 24 HB THR 24 4.217 17.342 -7.742 138 HG1 THR 24 HG1 THR 24 3.131 16.912 -9.720 139 HG21 THR 24 HG21 THR 24 2.912 17.466 -5.679 140 HG22 THR 24 HG22 THR 24 2.794 15.853 -6.384 141 HG23 THR 24 HG23 THR 24 1.457 16.989 -6.555 142 H SER 25 H SER 25 1.250 20.023 -6.332 143 HA SER 25 HA SER 25 -1.232 19.396 -7.779 144 HB2 SER 25 HB2 SER 25 -1.010 18.517 -5.424 145 HB3 SER 25 HB3 SER 25 -0.877 20.177 -4.873 146 HG SER 25 HG SER 25 -3.089 18.752 -5.615 147 H GLY 26 H GLY 26 0.637 21.936 -6.206 148 HA2 GLY 26 HA2 GLY 26 0.225 24.076 -7.617 149 HA3 GLY 26 HA3 GLY 26 -1.385 23.918 -6.917 150 H CYS 27 H CYS 27 0.961 25.835 -6.603 151 HA CYS 27 HA CYS 27 1.627 25.527 -3.802 152 HB2 CYS 27 HB2 CYS 27 3.167 26.320 -5.723 153 HB3 CYS 27 HB3 CYS 27 2.330 27.858 -5.553 154 H ASN 28 H ASN 28 0.127 26.191 -2.330 155 HA ASN 28 HA ASN 28 -1.599 28.448 -3.104 156 HB2 ASN 28 HB2 ASN 28 -2.226 26.206 -1.194 157 HB3 ASN 28 HB3 ASN 28 -3.325 27.485 -1.694 158 HD21 ASN 28 HD21 ASN 28 -3.483 24.577 -1.892 159 HD22 ASN 28 HD22 ASN 28 -3.743 24.228 -3.566 160 H CYS 29 H CYS 29 0.902 27.683 -0.998 161 HA CYS 29 HA CYS 29 -0.148 29.034 1.322 162 HB2 CYS 29 HB2 CYS 29 2.162 28.789 2.206 163 HB3 CYS 29 HB3 CYS 29 1.455 27.260 1.669 164 H THR 30 H THR 30 1.903 30.553 2.218 165 HA THR 30 HA THR 30 1.586 32.918 0.623 166 HB THR 30 HB THR 30 3.082 33.768 2.660 167 HG1 THR 30 HG1 THR 30 1.681 31.813 4.046 168 HG21 THR 30 HG21 THR 30 0.186 32.975 2.968 169 HG22 THR 30 HG22 THR 30 0.753 34.439 2.156 170 HG23 THR 30 HG23 THR 30 1.028 34.223 3.886 171 H ASP 31 H ASP 31 3.359 34.196 -0.084 172 HA ASP 31 HA ASP 31 5.396 32.740 -1.381 173 HB2 ASP 31 HB2 ASP 31 4.557 34.866 -2.242 174 HB3 ASP 31 HB3 ASP 31 5.179 35.708 -0.828 175 H ASP 32 H ASP 32 5.170 34.008 1.767 176 HA ASP 32 HA ASP 32 7.972 34.244 2.298 177 HB2 ASP 32 HB2 ASP 32 5.497 34.421 3.944 178 HB3 ASP 32 HB3 ASP 32 7.045 34.198 4.753 179 H CYS 33 H CYS 33 6.164 31.533 1.779 180 HA CYS 33 HA CYS 33 6.842 29.762 3.767 181 HB2 CYS 33 HB2 CYS 33 5.336 29.172 1.963 182 HB3 CYS 33 HB3 CYS 33 6.649 29.297 0.795 183 H LYS 34 H LYS 34 8.571 28.473 4.239 184 HA LYS 34 HA LYS 34 11.126 29.128 2.938 185 HB2 LYS 34 HB2 LYS 34 10.590 28.138 5.743 186 HB3 LYS 34 HB3 LYS 34 12.165 28.545 5.086 187 HG2 LYS 34 HG2 LYS 34 9.875 30.424 5.621 188 HG3 LYS 34 HG3 LYS 34 11.400 30.323 6.504 189 HD2 LYS 34 HD2 LYS 34 10.992 31.196 3.646 190 HD3 LYS 34 HD3 LYS 34 11.472 32.206 5.007 191 HE2 LYS 34 HE2 LYS 34 13.089 29.890 3.961 192 HE3 LYS 34 HE3 LYS 34 13.321 31.560 3.477 193 HZ1 LYS 34 HZ1 LYS 34 13.796 32.108 5.804 194 HZ2 LYS 34 HZ2 LYS 34 14.876 30.957 5.209 195 HZ3 LYS 34 HZ3 LYS 34 13.618 30.484 6.233 196 H CYS 35 H CYS 35 9.148 27.011 2.184 197 HA CYS 35 HA CYS 35 10.391 24.570 3.094 198 HB2 CYS 35 HB2 CYS 35 7.913 24.819 2.823 199 HB3 CYS 35 HB3 CYS 35 8.168 24.877 1.082 200 H GLN 36 H GLN 36 11.835 23.396 2.063 201 HA GLN 36 HA GLN 36 12.975 24.371 -0.398 202 HB2 GLN 36 HB2 GLN 36 14.634 22.539 -0.105 203 HB3 GLN 36 HB3 GLN 36 14.507 23.571 1.309 204 HG2 GLN 36 HG2 GLN 36 13.349 21.908 2.539 205 HG3 GLN 36 HG3 GLN 36 13.049 20.944 1.096 206 HE21 GLN 36 HE21 GLN 36 16.148 22.427 1.697 207 HE22 GLN 36 HE22 GLN 36 17.008 20.963 2.016 208 H SER 37 H SER 37 10.239 23.265 -0.479 209 HA SER 37 HA SER 37 10.768 21.171 -2.458 210 HB2 SER 37 HB2 SER 37 9.721 20.344 -0.297 211 HB3 SER 37 HB3 SER 37 8.276 21.238 -0.769 212 HG SER 37 HG SER 37 8.547 19.982 -2.840 213 H CYS 38 H CYS 38 8.501 23.802 -1.518 214 HA CYS 38 HA CYS 38 7.490 23.731 -4.247 215 HB2 CYS 38 HB2 CYS 38 5.917 25.560 -3.346 216 HB3 CYS 38 HB3 CYS 38 5.691 23.911 -2.782 217 H LYS 39 H LYS 39 9.592 25.561 -2.238 218 HA LYS 39 HA LYS 39 9.958 27.475 -4.432 219 HB2 LYS 39 HB2 LYS 39 10.291 27.858 -1.457 220 HB3 LYS 39 HB3 LYS 39 11.045 28.941 -2.615 221 HG2 LYS 39 HG2 LYS 39 9.058 30.000 -1.918 222 HG3 LYS 39 HG3 LYS 39 8.717 29.367 -3.529 223 HD2 LYS 39 HD2 LYS 39 7.530 27.500 -2.581 224 HD3 LYS 39 HD3 LYS 39 7.987 27.991 -0.951 225 HE2 LYS 39 HE2 LYS 39 5.744 28.682 -1.273 226 HE3 LYS 39 HE3 LYS 39 6.739 30.134 -1.367 227 HZ1 LYS 39 HZ1 LYS 39 5.616 28.620 -3.648 228 HZ2 LYS 39 HZ2 LYS 39 6.643 29.951 -3.792 229 HZ3 LYS 39 HZ3 LYS 39 5.110 30.135 -3.104 230 H TYR 40 H TYR 40 11.217 25.512 -5.152 231 HA TYR 40 HA TYR 40 13.672 24.838 -3.943 232 HB2 TYR 40 HB2 TYR 40 12.382 24.288 -6.518 233 HB3 TYR 40 HB3 TYR 40 14.140 24.250 -6.543 234 HD1 TYR 40 HD1 TYR 40 11.152 22.475 -5.675 235 HD2 TYR 40 HD2 TYR 40 15.323 22.726 -4.897 236 HE1 TYR 40 HE1 TYR 40 11.117 20.189 -4.768 237 HE2 TYR 40 HE2 TYR 40 15.300 20.445 -3.990 238 HH TYR 40 HH TYR 40 13.638 18.904 -2.961 239 H GLY 41 H GLY 41 13.474 26.321 -7.038 240 HA2 GLY 41 HA2 GLY 41 14.521 28.273 -7.834 241 HA3 GLY 41 HA3 GLY 41 15.302 28.451 -6.267 242 H ALA 42 H ALA 42 16.571 26.103 -5.934 243 HA ALA 42 HA ALA 42 18.592 26.196 -8.055 244 HB1 ALA 42 HB1 ALA 42 19.320 26.705 -5.771 245 HB2 ALA 42 HB2 ALA 42 20.111 25.260 -6.406 246 HB3 ALA 42 HB3 ALA 42 18.783 25.109 -5.253 247 H GLY 43 H GLY 43 15.955 24.452 -7.646 248 HA2 GLY 43 HA2 GLY 43 17.295 22.018 -8.577 249 HA3 GLY 43 HA3 GLY 43 16.096 21.899 -7.306 250 H CYS 44 H CYS 44 14.636 24.113 -8.891 251 HA CYS 44 HA CYS 44 13.453 22.294 -10.872 252 HB2 CYS 44 HB2 CYS 44 11.993 23.755 -8.685 253 HB3 CYS 44 HB3 CYS 44 11.180 23.117 -10.104 254 H THR 45 H THR 45 11.405 23.660 -11.769 255 HA THR 45 HA THR 45 12.245 26.340 -12.475 256 HB THR 45 HB THR 45 13.138 24.936 -14.290 257 HG1 THR 45 HG1 THR 45 12.535 26.546 -15.501 258 HG21 THR 45 HG21 THR 45 11.594 23.629 -15.726 259 HG22 THR 45 HG22 THR 45 10.298 23.939 -14.569 260 HG23 THR 45 HG23 THR 45 11.703 22.993 -14.085 261 H ASP 46 H ASP 46 10.304 27.131 -14.035 262 HA ASP 46 HA ASP 46 8.014 27.048 -12.267 263 HB2 ASP 46 HB2 ASP 46 8.984 29.106 -13.494 264 HB3 ASP 46 HB3 ASP 46 8.125 28.499 -14.904 265 H THR 47 H THR 47 9.019 25.142 -14.722 266 HA THR 47 HA THR 47 6.415 24.634 -15.912 267 HB THR 47 HB THR 47 8.948 23.152 -16.578 268 HG1 THR 47 HG1 THR 47 8.159 25.719 -17.562 269 HG21 THR 47 HG21 THR 47 6.886 22.396 -17.634 270 HG22 THR 47 HG22 THR 47 7.935 23.155 -18.831 271 HG23 THR 47 HG23 THR 47 6.547 24.035 -18.191 272 H CYS 48 H CYS 48 8.743 23.142 -13.742 273 HA CYS 48 HA CYS 48 7.633 20.516 -13.819 274 HB2 CYS 48 HB2 CYS 48 9.946 20.810 -13.209 275 HB3 CYS 48 HB3 CYS 48 9.507 21.859 -11.867 276 H LYS 49 H LYS 49 6.992 23.359 -11.957 277 HA LYS 49 HA LYS 49 5.696 22.133 -9.738 278 HB2 LYS 49 HB2 LYS 49 4.986 24.401 -9.192 279 HB3 LYS 49 HB3 LYS 49 6.694 24.340 -9.609 280 HG2 LYS 49 HG2 LYS 49 6.135 25.109 -11.883 281 HG3 LYS 49 HG3 LYS 49 4.450 25.259 -11.388 282 HD2 LYS 49 HD2 LYS 49 6.763 26.696 -10.120 283 HD3 LYS 49 HD3 LYS 49 5.698 27.391 -11.342 284 HE2 LYS 49 HE2 LYS 49 3.772 26.924 -9.789 285 HE3 LYS 49 HE3 LYS 49 4.958 26.489 -8.558 286 HZ1 LYS 49 HZ1 LYS 49 5.904 28.741 -8.802 287 HZ2 LYS 49 HZ2 LYS 49 4.304 28.763 -8.268 288 HZ3 LYS 49 HZ3 LYS 49 4.658 29.127 -9.873 289 H GLN 50 H GLN 50 4.671 22.070 -12.817 290 HA GLN 50 HA GLN 50 1.953 22.894 -12.489 291 HB2 GLN 50 HB2 GLN 50 3.294 21.392 -14.712 292 HB3 GLN 50 HB3 GLN 50 1.660 22.050 -14.760 293 HG2 GLN 50 HG2 GLN 50 2.739 24.275 -14.188 294 HG3 GLN 50 HG3 GLN 50 4.255 23.509 -14.616 295 HE21 GLN 50 HE21 GLN 50 4.511 24.963 -16.285 296 HE22 GLN 50 HE22 GLN 50 3.614 24.801 -17.747 297 H THR 51 H THR 51 0.478 20.970 -13.736 298 HA THR 51 HA THR 51 0.794 18.537 -12.138 299 HB THR 51 HB THR 51 -1.839 19.999 -12.470 300 HG1 THR 51 HG1 THR 51 -0.078 19.785 -10.230 301 HG21 THR 51 HG21 THR 51 -1.057 17.592 -10.814 302 HG22 THR 51 HG22 THR 51 -2.090 17.578 -12.243 303 HG23 THR 51 HG23 THR 51 -2.627 18.389 -10.771 304 HA PRO 52 HA PRO 52 0.738 16.526 -12.227 305 HB2 PRO 52 HB2 PRO 52 2.149 14.905 -14.246 306 HB3 PRO 52 HB3 PRO 52 1.114 14.374 -12.916 307 HG2 PRO 52 HG2 PRO 52 0.308 14.200 -15.473 308 HG3 PRO 52 HG3 PRO 52 -0.817 14.579 -14.159 309 HD2 PRO 52 HD2 PRO 52 0.460 16.426 -16.140 310 HD3 PRO 52 HD3 PRO 52 -1.217 16.390 -15.553 311 H CYS 53 H CYS 53 2.403 17.256 -15.256 312 HA CYS 53 HA CYS 53 4.285 18.955 -13.926 313 HB2 CYS 53 HB2 CYS 53 5.269 16.689 -13.620 314 HB3 CYS 53 HB3 CYS 53 5.308 16.503 -15.365 315 H GLY 54 H GLY 54 5.074 20.482 -15.349 316 HA2 GLY 54 HA2 GLY 54 3.895 20.443 -17.986 317 HA3 GLY 54 HA3 GLY 54 4.809 21.762 -17.267 318 H CYS 55 H CYS 55 7.029 19.799 -16.586 319 HA CYS 55 HA CYS 55 8.633 20.290 -18.827 320 HB2 CYS 55 HB2 CYS 55 8.951 18.366 -16.536 321 HB3 CYS 55 HB3 CYS 55 10.199 18.644 -17.739 322 H GLY 56 H GLY 56 7.709 17.098 -17.584 323 HA2 GLY 56 HA2 GLY 56 7.353 15.096 -18.653 324 HA3 GLY 56 HA3 GLY 56 6.797 16.047 -20.026 325 H SER 57 H SER 57 7.991 16.073 -21.797 326 HA SER 57 HA SER 57 10.590 14.751 -21.745 327 HB2 SER 57 HB2 SER 57 8.889 13.983 -23.387 328 HB3 SER 57 HB3 SER 57 8.871 15.593 -24.101 329 HG SER 57 HG SER 57 10.623 15.137 -25.146 330 H GLY 58 H GLY 58 9.279 17.815 -21.671 331 HA2 GLY 58 HA2 GLY 58 11.716 19.027 -22.832 332 HA3 GLY 58 HA3 GLY 58 10.131 19.791 -22.876 333 H CYS 59 H CYS 59 12.556 18.569 -20.658 334 HA CYS 59 HA CYS 59 11.523 20.095 -18.447 335 HB2 CYS 59 HB2 CYS 59 12.321 18.024 -17.829 336 HB3 CYS 59 HB3 CYS 59 13.752 18.142 -18.849 337 H ASN 60 H ASN 60 12.770 21.612 -17.216 338 HA ASN 60 HA ASN 60 15.058 22.875 -18.478 339 HB2 ASN 60 HB2 ASN 60 12.984 23.918 -19.506 340 HB3 ASN 60 HB3 ASN 60 12.582 24.523 -17.905 341 HD21 ASN 60 HD21 ASN 60 15.840 24.304 -19.204 342 HD22 ASN 60 HD22 ASN 60 16.112 26.005 -19.301 343 H CYS 61 H CYS 61 14.502 21.442 -15.986 344 HA CYS 61 HA CYS 61 14.370 23.332 -13.821 345 HB2 CYS 61 HB2 CYS 61 14.921 20.401 -14.013 346 HB3 CYS 61 HB3 CYS 61 15.183 21.255 -12.500 347 H LYS 62 H LYS 62 16.193 22.624 -12.028 348 HA LYS 62 HA LYS 62 18.621 23.800 -13.120 349 HB2 LYS 62 HB2 LYS 62 17.658 23.328 -10.298 350 HB3 LYS 62 HB3 LYS 62 19.237 23.983 -10.665 351 HG2 LYS 62 HG2 LYS 62 16.697 25.272 -11.617 352 HG3 LYS 62 HG3 LYS 62 17.401 25.627 -10.045 353 HD2 LYS 62 HD2 LYS 62 18.822 25.978 -12.700 354 HD3 LYS 62 HD3 LYS 62 18.020 27.275 -11.817 355 HE2 LYS 62 HE2 LYS 62 19.550 26.967 -9.949 356 HE3 LYS 62 HE3 LYS 62 20.329 25.626 -10.787 357 HZ1 LYS 62 HZ1 LYS 62 20.243 28.425 -11.761 358 HZ2 LYS 62 HZ2 LYS 62 21.034 27.135 -12.512 359 HZ3 LYS 62 HZ3 LYS 62 21.568 27.694 -11.008 360 H GLU 63 H GLU 63 18.165 21.390 -10.520 361 HA GLU 63 HA GLU 63 19.205 19.183 -11.860 362 HB2 GLU 63 HB2 GLU 63 21.243 20.782 -11.788 363 HB3 GLU 63 HB3 GLU 63 21.354 20.318 -10.098 364 HG2 GLU 63 HG2 GLU 63 21.770 18.067 -10.635 365 HG3 GLU 63 HG3 GLU 63 21.288 18.300 -12.313 366 H ASP 64 H ASP 64 18.634 20.837 -8.847 367 HA ASP 64 HA ASP 64 18.832 18.416 -7.235 368 HB2 ASP 64 HB2 ASP 64 19.297 20.949 -6.539 369 HB3 ASP 64 HB3 ASP 64 17.577 20.920 -6.190 370 H CYS 65 H CYS 65 17.007 18.163 -9.275 371 HA CYS 65 HA CYS 65 14.348 18.699 -8.229 372 HB2 CYS 65 HB2 CYS 65 14.769 19.093 -10.609 373 HB3 CYS 65 HB3 CYS 65 15.229 17.408 -10.819 374 H ARG 66 H ARG 66 12.958 17.214 -7.439 375 HA ARG 66 HA ARG 66 13.984 14.477 -7.046 376 HB2 ARG 66 HB2 ARG 66 12.142 16.197 -5.426 377 HB3 ARG 66 HB3 ARG 66 12.193 14.452 -5.212 378 HG2 ARG 66 HG2 ARG 66 14.469 14.528 -4.569 379 HG3 ARG 66 HG3 ARG 66 14.587 16.235 -5.002 380 HD2 ARG 66 HD2 ARG 66 13.034 16.816 -3.245 381 HD3 ARG 66 HD3 ARG 66 12.806 15.110 -2.850 382 HE ARG 66 HE ARG 66 14.662 15.250 -1.561 383 HH11 ARG 66 HH11 ARG 66 14.988 17.765 -4.038 384 HH12 ARG 66 HH12 ARG 66 16.526 18.319 -3.466 385 HH21 ARG 66 HH21 ARG 66 16.677 16.000 -0.797 386 HH22 ARG 66 HH22 ARG 66 17.487 17.301 -1.608 387 H CYS 67 H CYS 67 12.157 15.949 -9.132 388 HA CYS 67 HA CYS 67 9.853 14.212 -8.957 389 HB2 CYS 67 HB2 CYS 67 9.542 16.555 -9.548 390 HB3 CYS 67 HB3 CYS 67 10.567 16.331 -10.960 391 H GLN 68 H GLN 68 9.515 12.480 -10.249 392 HA GLN 68 HA GLN 68 11.751 11.776 -11.993 393 HB2 GLN 68 HB2 GLN 68 11.003 9.509 -11.849 394 HB3 GLN 68 HB3 GLN 68 11.108 10.182 -10.229 395 HG2 GLN 68 HG2 GLN 68 8.476 10.529 -11.365 396 HG3 GLN 68 HG3 GLN 68 8.966 8.840 -11.342 397 HE21 GLN 68 HE21 GLN 68 10.114 11.158 -9.004 398 HE22 GLN 68 HE22 GLN 68 9.239 10.515 -7.669 399 H SER 69 H SER 69 8.906 13.306 -12.298 400 HA SER 69 HA SER 69 7.761 11.932 -14.502 401 HB2 SER 69 HB2 SER 69 7.379 14.818 -13.675 402 HB3 SER 69 HB3 SER 69 6.293 13.844 -14.664 403 HG SER 69 HG SER 69 5.996 14.161 -12.195 404 H CYS 70 H CYS 70 10.088 14.500 -14.022 405 HA CYS 70 HA CYS 70 10.365 14.650 -16.915 406 HB2 CYS 70 HB2 CYS 70 11.281 16.874 -16.625 407 HB3 CYS 70 HB3 CYS 70 9.690 16.731 -15.885 408 H SER 71 H SER 71 12.086 14.036 -13.913 409 HA SER 71 HA SER 71 14.707 14.282 -14.760 410 HB2 SER 71 HB2 SER 71 13.479 12.301 -12.850 411 HB3 SER 71 HB3 SER 71 15.215 12.405 -13.129 412 HG SER 71 HG SER 71 13.526 14.110 -11.759 413 H THR 72 H THR 72 16.094 13.153 -15.941 414 HA THR 72 HA THR 72 14.973 11.435 -17.920 415 HB THR 72 HB THR 72 16.935 12.962 -18.333 416 HG1 THR 72 HG1 THR 72 16.627 11.498 -19.913 417 HG21 THR 72 HG21 THR 72 19.186 12.091 -17.804 418 HG22 THR 72 HG22 THR 72 18.444 10.795 -16.863 419 HG23 THR 72 HG23 THR 72 18.258 12.474 -16.355 420 H ALA 73 H ALA 73 16.302 9.365 -18.495 421 HA ALA 73 HA ALA 73 15.376 7.389 -16.855 422 HB1 ALA 73 HB1 ALA 73 16.716 5.842 -18.103 423 HB2 ALA 73 HB2 ALA 73 17.739 7.154 -18.693 424 HB3 ALA 73 HB3 ALA 73 16.044 7.066 -19.178 425 H CYS 74 H CYS 74 15.859 6.706 -14.994 426 HA CYS 74 HA CYS 74 18.118 7.454 -13.460 427 HB2 CYS 74 HB2 CYS 74 15.827 6.818 -12.594 428 HB3 CYS 74 HB3 CYS 74 16.203 5.153 -13.003 429 H LYS 75 H LYS 75 19.888 6.102 -12.769 430 HA LYS 75 HA LYS 75 20.815 4.280 -14.774 431 HB2 LYS 75 HB2 LYS 75 21.897 5.157 -12.111 432 HB3 LYS 75 HB3 LYS 75 22.652 3.848 -13.007 433 HG2 LYS 75 HG2 LYS 75 22.227 6.623 -14.089 434 HG3 LYS 75 HG3 LYS 75 23.723 6.052 -13.346 435 HD2 LYS 75 HD2 LYS 75 23.914 4.313 -15.051 436 HD3 LYS 75 HD3 LYS 75 22.410 4.859 -15.788 437 HE2 LYS 75 HE2 LYS 75 24.334 5.734 -17.007 438 HE3 LYS 75 HE3 LYS 75 23.423 7.037 -16.250 439 HZ1 LYS 75 HZ1 LYS 75 25.888 5.834 -15.119 440 HZ2 LYS 75 HZ2 LYS 75 25.050 7.177 -14.513 441 HZ3 LYS 75 HZ3 LYS 75 25.834 7.272 -16.004 442 H CYS 76 H CYS 76 19.044 4.049 -11.885 443 HA CYS 76 HA CYS 76 19.469 1.213 -11.631 444 HB2 CYS 76 HB2 CYS 76 17.570 3.038 -10.142 445 HB3 CYS 76 HB3 CYS 76 18.036 1.407 -9.677 446 H ALA 77 H ALA 77 18.080 -0.296 -12.457 447 HA ALA 77 HA ALA 77 15.371 0.360 -13.157 448 HB1 ALA 77 HB1 ALA 77 15.545 -0.153 -15.524 449 HB2 ALA 77 HB2 ALA 77 17.280 -0.413 -15.363 450 HB3 ALA 77 HB3 ALA 77 16.607 1.200 -15.127 451 H ALA 78 H ALA 78 14.069 -1.364 -13.364 452 HA ALA 78 HA ALA 78 13.304 -3.481 -13.143 453 HB1 ALA 78 HB1 ALA 78 14.773 -4.000 -15.056 454 HB2 ALA 78 HB2 ALA 78 14.604 -5.359 -13.945 455 HB3 ALA 78 HB3 ALA 78 16.070 -4.382 -13.924 456 H GLY 79 H GLY 79 16.596 -3.741 -12.052 457 HA2 GLY 79 HA2 GLY 79 15.818 -4.004 -9.282 458 HA3 GLY 79 HA3 GLY 79 16.367 -5.512 -9.997 459 H SER 80 H SER 80 17.744 -2.641 -11.238 460 HA SER 80 HA SER 80 20.317 -3.427 -10.114 461 HB2 SER 80 HB2 SER 80 19.918 -3.133 -12.604 462 HB3 SER 80 HB3 SER 80 19.800 -1.404 -12.284 463 HG SER 80 HG SER 80 22.001 -3.056 -12.347 464 H CYS 81 H CYS 81 18.409 -1.985 -8.447 465 HA CYS 81 HA CYS 81 19.177 0.730 -8.224 466 HB2 CYS 81 HB2 CYS 81 17.093 -0.078 -7.289 467 HB3 CYS 81 HB3 CYS 81 17.961 -1.183 -6.231 468 H LYS 82 H LYS 82 21.041 1.548 -7.445 469 HA LYS 82 HA LYS 82 22.618 -0.220 -5.708 470 HB2 LYS 82 HB2 LYS 82 24.676 0.611 -6.687 471 HB3 LYS 82 HB3 LYS 82 23.636 -0.037 -7.940 472 HG2 LYS 82 HG2 LYS 82 24.308 1.857 -8.993 473 HG3 LYS 82 HG3 LYS 82 22.921 2.521 -8.130 474 HD2 LYS 82 HD2 LYS 82 24.716 4.038 -7.779 475 HD3 LYS 82 HD3 LYS 82 24.522 3.141 -6.274 476 HE2 LYS 82 HE2 LYS 82 26.864 3.330 -6.780 477 HE3 LYS 82 HE3 LYS 82 26.377 1.650 -6.980 478 HZ1 LYS 82 HZ1 LYS 82 26.620 3.594 -9.209 479 HZ2 LYS 82 HZ2 LYS 82 26.348 1.930 -9.344 480 HZ3 LYS 82 HZ3 LYS 82 27.827 2.501 -8.767 481 H CYS 83 H CYS 83 20.854 2.541 -5.605 482 HA CYS 83 HA CYS 83 22.710 3.976 -3.886 483 HB2 CYS 83 HB2 CYS 83 21.006 5.740 -3.773 484 HB3 CYS 83 HB3 CYS 83 21.370 5.315 -5.440 485 H GLY 84 H GLY 84 19.882 1.959 -3.647 486 HA2 GLY 84 HA2 GLY 84 19.633 0.657 -1.617 487 HA3 GLY 84 HA3 GLY 84 20.186 2.059 -0.715 488 H LYS 85 H LYS 85 18.223 3.291 -3.002 489 HA LYS 85 HA LYS 85 16.086 3.711 -1.138 490 HB2 LYS 85 HB2 LYS 85 16.380 4.484 -4.041 491 HB3 LYS 85 HB3 LYS 85 15.054 4.995 -3.009 492 HG2 LYS 85 HG2 LYS 85 17.954 5.606 -2.474 493 HG3 LYS 85 HG3 LYS 85 16.839 6.695 -3.300 494 HD2 LYS 85 HD2 LYS 85 16.412 5.622 -0.513 495 HD3 LYS 85 HD3 LYS 85 17.147 7.183 -0.872 496 HE2 LYS 85 HE2 LYS 85 15.091 7.842 -2.061 497 HE3 LYS 85 HE3 LYS 85 14.367 6.298 -1.618 498 HZ1 LYS 85 HZ1 LYS 85 15.288 8.383 0.283 499 HZ2 LYS 85 HZ2 LYS 85 14.600 6.902 0.709 500 HZ3 LYS 85 HZ3 LYS 85 13.680 8.048 -0.118 501 H GLY 86 H GLY 86 16.707 1.550 -3.762 502 HA2 GLY 86 HA2 GLY 86 15.538 -0.319 -4.428 503 HA3 GLY 86 HA3 GLY 86 14.364 0.013 -3.155 504 H CYS 87 H CYS 87 15.396 2.102 -5.797 505 HA CYS 87 HA CYS 87 12.611 2.557 -6.461 506 HB2 CYS 87 HB2 CYS 87 13.663 4.243 -8.076 507 HB3 CYS 87 HB3 CYS 87 13.861 4.550 -6.353 508 H THR 88 H THR 88 15.568 1.559 -8.091 509 HA THR 88 HA THR 88 16.009 0.350 -9.951 510 HB THR 88 HB THR 88 14.673 -1.669 -10.360 511 HG1 THR 88 HG1 THR 88 12.760 -0.235 -9.095 512 HG21 THR 88 HG21 THR 88 16.341 -1.745 -8.630 513 HG22 THR 88 HG22 THR 88 14.932 -2.679 -8.115 514 HG23 THR 88 HG23 THR 88 15.210 -1.066 -7.458 515 H GLY 89 H GLY 89 14.706 2.775 -10.459 516 HA2 GLY 89 HA2 GLY 89 14.357 2.823 -13.084 517 HA3 GLY 89 HA3 GLY 89 12.782 2.242 -12.555 518 HA PRO 90 HA PRO 90 13.634 7.017 -12.061 519 HB2 PRO 90 HB2 PRO 90 12.321 7.753 -14.418 520 HB3 PRO 90 HB3 PRO 90 14.066 7.788 -14.155 521 HG2 PRO 90 HG2 PRO 90 12.406 5.761 -15.557 522 HG3 PRO 90 HG3 PRO 90 14.066 6.273 -15.873 523 HD2 PRO 90 HD2 PRO 90 13.471 3.936 -14.677 524 HD3 PRO 90 HD3 PRO 90 14.940 4.852 -14.308 525 H ASP 91 H ASP 91 10.969 5.211 -13.525 526 HA ASP 91 HA ASP 91 8.915 6.972 -12.715 527 HB2 ASP 91 HB2 ASP 91 8.806 4.036 -13.405 528 HB3 ASP 91 HB3 ASP 91 7.388 5.044 -13.143 529 H SER 92 H SER 92 10.715 4.669 -10.934 530 HA SER 92 HA SER 92 8.801 4.903 -8.708 531 HB2 SER 92 HB2 SER 92 10.849 2.726 -9.175 532 HB3 SER 92 HB3 SER 92 9.673 2.791 -7.862 533 HG SER 92 HG SER 92 9.227 2.415 -10.624 534 H CYS 93 H CYS 93 11.197 6.517 -9.728 535 HA CYS 93 HA CYS 93 12.987 6.361 -7.431 536 HB2 CYS 93 HB2 CYS 93 14.112 6.374 -9.546 537 HB3 CYS 93 HB3 CYS 93 13.175 7.750 -10.103 538 H LYS 94 H LYS 94 12.004 7.404 -5.766 539 HA LYS 94 HA LYS 94 10.847 10.056 -6.175 540 HB2 LYS 94 HB2 LYS 94 11.152 8.432 -3.630 541 HB3 LYS 94 HB3 LYS 94 10.263 9.939 -3.775 542 HG2 LYS 94 HG2 LYS 94 8.756 8.782 -5.419 543 HG3 LYS 94 HG3 LYS 94 9.573 7.276 -4.999 544 HD2 LYS 94 HD2 LYS 94 8.074 9.077 -3.081 545 HD3 LYS 94 HD3 LYS 94 7.487 7.548 -3.729 546 HE2 LYS 94 HE2 LYS 94 9.912 7.919 -1.979 547 HE3 LYS 94 HE3 LYS 94 8.348 7.304 -1.453 548 HZ1 LYS 94 HZ1 LYS 94 10.138 6.025 -3.441 549 HZ2 LYS 94 HZ2 LYS 94 8.622 5.445 -2.985 550 HZ3 LYS 94 HZ3 LYS 94 9.875 5.504 -1.857 551 H CYS 95 H CYS 95 13.699 9.431 -6.538 552 HA CYS 95 HA CYS 95 15.048 10.749 -4.328 553 HB2 CYS 95 HB2 CYS 95 16.238 9.623 -6.848 554 HB3 CYS 95 HB3 CYS 95 17.055 9.969 -5.328 555 H ASP 96 H ASP 96 16.831 12.226 -4.993 556 HA ASP 96 HA ASP 96 15.854 14.153 -6.923 557 HB2 ASP 96 HB2 ASP 96 17.715 15.577 -6.046 558 HB3 ASP 96 HB3 ASP 96 16.523 15.135 -4.838 559 H ARG 97 H ARG 97 17.395 15.067 -8.388 560 HA ARG 97 HA ARG 97 18.568 13.023 -9.977 561 HB2 ARG 97 HB2 ARG 97 18.991 15.979 -10.199 562 HB3 ARG 97 HB3 ARG 97 19.281 14.776 -11.444 563 HG2 ARG 97 HG2 ARG 97 16.841 14.269 -11.407 564 HG3 ARG 97 HG3 ARG 97 16.662 15.647 -10.300 565 HD2 ARG 97 HD2 ARG 97 17.413 17.164 -11.880 566 HD3 ARG 97 HD3 ARG 97 18.107 15.914 -12.880 567 HE ARG 97 HE ARG 97 15.204 16.275 -12.600 568 HH11 ARG 97 HH11 ARG 97 18.070 15.791 -14.590 569 HH12 ARG 97 HH12 ARG 97 17.208 15.907 -16.083 570 HH21 ARG 97 HH21 ARG 97 14.084 16.473 -14.610 571 HH22 ARG 97 HH22 ARG 97 14.947 16.273 -16.100 572 H SER 98 H SER 98 19.703 14.488 -7.275 573 HA SER 98 HA SER 98 22.492 14.288 -8.120 574 HB2 SER 98 HB2 SER 98 21.179 15.878 -5.916 575 HB3 SER 98 HB3 SER 98 22.931 15.786 -6.153 576 HG SER 98 HG SER 98 21.114 16.602 -8.173 577 H CYS 99 H CYS 99 20.445 12.211 -7.027 578 HA CYS 99 HA CYS 99 21.680 11.385 -4.562 579 HB2 CYS 99 HB2 CYS 99 19.215 11.015 -5.194 580 HB3 CYS 99 HB3 CYS 99 19.789 9.714 -6.226 581 H SER 100 H SER 100 22.332 8.976 -4.424 582 HA SER 100 HA SER 100 24.727 8.687 -5.850 583 HB2 SER 100 HB2 SER 100 24.405 7.736 -3.629 584 HB3 SER 100 HB3 SER 100 23.181 6.635 -4.255 585 HG SER 100 HG SER 100 25.441 6.397 -5.695 586 H CYS 101 H CYS 101 21.520 7.530 -6.594 587 HA CYS 101 HA CYS 101 22.312 5.450 -8.364 588 HB2 CYS 101 HB2 CYS 101 19.925 5.572 -9.103 589 HB3 CYS 101 HB3 CYS 101 20.142 5.362 -7.368 590 H LYS 102 H LYS 102 21.555 8.854 -8.748 591 HA LYS 102 HA LYS 102 21.518 8.749 -11.622 592 HB2 LYS 102 HB2 LYS 102 21.584 11.066 -9.703 593 HB3 LYS 102 HB3 LYS 102 21.425 11.230 -11.446 594 HG2 LYS 102 HG2 LYS 102 19.509 9.549 -9.891 595 HG3 LYS 102 HG3 LYS 102 19.312 11.296 -9.979 596 HD2 LYS 102 HD2 LYS 102 19.219 11.171 -12.415 597 HD3 LYS 102 HD3 LYS 102 19.461 9.422 -12.349 598 HE2 LYS 102 HE2 LYS 102 17.369 9.102 -11.259 599 HE3 LYS 102 HE3 LYS 102 17.175 10.834 -10.994 600 HZ1 LYS 102 HZ1 LYS 102 15.820 10.025 -12.824 601 HZ2 LYS 102 HZ2 LYS 102 17.204 9.512 -13.650 602 HZ3 LYS 102 HZ3 LYS 102 16.960 11.153 -13.350 Start of MODEL 12 1 HA2 GLY 1 HA2 GLY 1 -0.547 5.881 7.992 2 HA3 GLY 1 HA3 GLY 1 0.878 6.188 8.973 3 H SER 2 H SER 2 0.671 8.903 7.302 4 HA SER 2 HA SER 2 -0.941 10.199 9.363 5 HB2 SER 2 HB2 SER 2 0.236 12.298 8.458 6 HB3 SER 2 HB3 SER 2 1.220 11.136 9.343 7 HG SER 2 HG SER 2 0.992 10.928 6.548 8 H MET 3 H MET 3 -2.983 10.220 8.734 9 HA MET 3 HA MET 3 -3.891 10.353 6.058 10 HB2 MET 3 HB2 MET 3 -5.241 9.271 7.709 11 HB3 MET 3 HB3 MET 3 -5.303 10.722 8.692 12 HG2 MET 3 HG2 MET 3 -7.408 10.361 7.566 13 HG3 MET 3 HG3 MET 3 -6.636 11.830 6.974 14 HE1 MET 3 HE1 MET 3 -8.546 10.439 3.841 15 HE2 MET 3 HE2 MET 3 -8.332 11.820 4.918 16 HE3 MET 3 HE3 MET 3 -9.063 10.332 5.523 17 H SER 4 H SER 4 -4.011 12.010 4.758 18 HA SER 4 HA SER 4 -4.341 14.058 3.886 19 HB2 SER 4 HB2 SER 4 -5.675 14.701 6.521 20 HB3 SER 4 HB3 SER 4 -5.825 15.630 5.028 21 HG SER 4 HG SER 4 -6.362 13.088 4.476 22 H SER 5 H SER 5 -2.135 13.519 6.155 23 HA SER 5 HA SER 5 -1.364 16.173 6.847 24 HB2 SER 5 HB2 SER 5 0.291 13.643 6.851 25 HB3 SER 5 HB3 SER 5 0.647 15.133 7.725 26 HG SER 5 HG SER 5 -1.052 14.768 9.070 27 H VAL 6 H VAL 6 -0.802 17.553 5.285 28 HA VAL 6 HA VAL 6 0.506 16.576 2.879 29 HB VAL 6 HB VAL 6 -1.400 18.190 2.750 30 HG11 VAL 6 HG11 VAL 6 -0.927 19.577 4.659 31 HG12 VAL 6 HG12 VAL 6 -0.981 20.568 3.202 32 HG13 VAL 6 HG13 VAL 6 0.572 20.139 3.920 33 HG21 VAL 6 HG21 VAL 6 1.204 19.152 1.564 34 HG22 VAL 6 HG22 VAL 6 -0.404 19.639 1.025 35 HG23 VAL 6 HG23 VAL 6 0.110 17.959 0.863 36 H PHE 7 H PHE 7 1.414 17.875 5.859 37 HA PHE 7 HA PHE 7 3.657 19.403 5.053 38 HB2 PHE 7 HB2 PHE 7 4.204 19.598 7.322 39 HB3 PHE 7 HB3 PHE 7 2.458 19.409 7.341 40 HD1 PHE 7 HD1 PHE 7 5.572 18.196 8.560 41 HD2 PHE 7 HD2 PHE 7 1.538 17.056 7.833 42 HE1 PHE 7 HE1 PHE 7 5.826 16.322 10.126 43 HE2 PHE 7 HE2 PHE 7 1.789 15.175 9.403 44 HZ PHE 7 HZ PHE 7 3.933 14.807 10.549 45 H GLY 8 H GLY 8 5.867 18.887 5.212 46 HA2 GLY 8 HA2 GLY 8 6.454 16.155 4.395 47 HA3 GLY 8 HA3 GLY 8 7.557 17.525 4.375 48 H ALA 9 H ALA 9 8.951 17.788 5.973 49 HA ALA 9 HA ALA 9 8.679 16.044 8.324 50 HB1 ALA 9 HB1 ALA 9 10.570 15.375 6.949 51 HB2 ALA 9 HB2 ALA 9 11.149 16.092 8.454 52 HB3 ALA 9 HB3 ALA 9 11.187 17.026 6.960 53 H GLY 10 H GLY 10 9.729 19.164 7.080 54 HA2 GLY 10 HA2 GLY 10 8.982 20.370 9.624 55 HA3 GLY 10 HA3 GLY 10 10.640 20.596 9.079 56 H CYS 11 H CYS 11 7.265 21.114 8.158 57 HA CYS 11 HA CYS 11 7.934 22.988 6.094 58 HB2 CYS 11 HB2 CYS 11 5.314 22.446 7.489 59 HB3 CYS 11 HB3 CYS 11 5.512 23.454 6.061 60 H THR 12 H THR 12 7.388 25.228 6.141 61 HA THR 12 HA THR 12 8.016 26.468 8.676 62 HB THR 12 HB THR 12 8.004 28.560 7.352 63 HG1 THR 12 HG1 THR 12 7.825 27.320 4.902 64 HG21 THR 12 HG21 THR 12 9.904 28.026 5.905 65 HG22 THR 12 HG22 THR 12 9.544 26.305 6.069 66 HG23 THR 12 HG23 THR 12 10.052 27.240 7.477 67 H ASP 13 H ASP 13 6.709 28.349 9.390 68 HA ASP 13 HA ASP 13 3.922 27.760 9.496 69 HB2 ASP 13 HB2 ASP 13 5.519 30.191 10.352 70 HB3 ASP 13 HB3 ASP 13 3.780 30.072 10.574 71 H VAL 14 H VAL 14 5.976 29.376 7.394 72 HA VAL 14 HA VAL 14 4.153 31.224 6.215 73 HB VAL 14 HB VAL 14 6.666 30.125 4.960 74 HG11 VAL 14 HG11 VAL 14 6.803 32.328 3.930 75 HG12 VAL 14 HG12 VAL 14 5.313 32.806 4.746 76 HG13 VAL 14 HG13 VAL 14 5.284 31.524 3.533 77 HG21 VAL 14 HG21 VAL 14 7.900 31.929 6.087 78 HG22 VAL 14 HG22 VAL 14 7.233 30.766 7.228 79 HG23 VAL 14 HG23 VAL 14 6.452 32.330 7.007 80 H CYS 15 H CYS 15 5.095 27.886 5.657 81 HA CYS 15 HA CYS 15 3.905 27.623 3.082 82 HB2 CYS 15 HB2 CYS 15 5.619 26.055 3.763 83 HB3 CYS 15 HB3 CYS 15 4.694 25.587 5.182 84 H LYS 16 H LYS 16 2.746 27.650 6.299 85 HA LYS 16 HA LYS 16 0.304 26.231 5.703 86 HB2 LYS 16 HB2 LYS 16 1.028 27.770 8.205 87 HB3 LYS 16 HB3 LYS 16 -0.262 26.588 8.035 88 HG2 LYS 16 HG2 LYS 16 2.681 25.969 7.760 89 HG3 LYS 16 HG3 LYS 16 1.727 25.711 9.219 90 HD2 LYS 16 HD2 LYS 16 0.623 23.908 8.343 91 HD3 LYS 16 HD3 LYS 16 0.725 24.511 6.688 92 HE2 LYS 16 HE2 LYS 16 3.148 24.001 6.706 93 HE3 LYS 16 HE3 LYS 16 2.955 23.278 8.303 94 HZ1 LYS 16 HZ1 LYS 16 1.430 21.668 7.375 95 HZ2 LYS 16 HZ2 LYS 16 2.891 21.621 6.524 96 HZ3 LYS 16 HZ3 LYS 16 1.548 22.383 5.846 97 H GLN 17 H GLN 17 1.368 29.217 4.930 98 HA GLN 17 HA GLN 17 -0.849 30.878 5.598 99 HB2 GLN 17 HB2 GLN 17 1.363 31.123 3.576 100 HB3 GLN 17 HB3 GLN 17 0.045 32.279 3.614 101 HG2 GLN 17 HG2 GLN 17 0.642 32.736 6.003 102 HG3 GLN 17 HG3 GLN 17 2.074 31.734 5.762 103 HE21 GLN 17 HE21 GLN 17 3.458 33.478 6.130 104 HE22 GLN 17 HE22 GLN 17 3.686 34.736 4.965 105 H THR 18 H THR 18 -1.969 32.037 3.662 106 HA THR 18 HA THR 18 -2.721 30.312 1.478 107 HB THR 18 HB THR 18 -4.845 31.143 3.486 108 HG1 THR 18 HG1 THR 18 -3.219 28.992 3.402 109 HG21 THR 18 HG21 THR 18 -5.027 29.450 0.983 110 HG22 THR 18 HG22 THR 18 -5.635 31.096 1.156 111 HG23 THR 18 HG23 THR 18 -6.349 29.789 2.099 112 HA PRO 19 HA PRO 19 -2.635 30.636 -0.513 113 HB2 PRO 19 HB2 PRO 19 -0.907 32.516 -1.957 114 HB3 PRO 19 HB3 PRO 19 -2.185 31.472 -2.584 115 HG2 PRO 19 HG2 PRO 19 -2.459 34.143 -2.464 116 HG3 PRO 19 HG3 PRO 19 -3.828 33.044 -2.227 117 HD2 PRO 19 HD2 PRO 19 -2.187 34.492 -0.185 118 HD3 PRO 19 HD3 PRO 19 -3.948 34.275 -0.265 119 H CYS 20 H CYS 20 -0.464 29.765 -0.993 120 HA CYS 20 HA CYS 20 1.083 29.621 1.284 121 HB2 CYS 20 HB2 CYS 20 0.893 28.105 -0.823 122 HB3 CYS 20 HB3 CYS 20 2.223 29.090 -1.424 123 H GLY 21 H GLY 21 2.582 30.945 2.132 124 HA2 GLY 21 HA2 GLY 21 3.197 33.332 0.622 125 HA3 GLY 21 HA3 GLY 21 3.442 33.090 2.342 126 H CYS 22 H CYS 22 4.730 30.375 1.087 127 HA CYS 22 HA CYS 22 7.409 31.241 1.495 128 HB2 CYS 22 HB2 CYS 22 6.248 28.751 0.303 129 HB3 CYS 22 HB3 CYS 22 7.986 29.011 0.375 130 H ALA 23 H ALA 23 5.385 31.423 -1.249 131 HA ALA 23 HA ALA 23 7.581 31.596 -3.121 132 HB1 ALA 23 HB1 ALA 23 4.633 32.104 -3.506 133 HB2 ALA 23 HB2 ALA 23 5.468 30.585 -3.831 134 HB3 ALA 23 HB3 ALA 23 5.838 32.019 -4.791 135 H THR 24 H THR 24 6.151 33.596 -0.905 136 HA THR 24 HA THR 24 6.836 36.017 -2.381 137 HB THR 24 HB THR 24 4.938 35.585 -0.075 138 HG1 THR 24 HG1 THR 24 3.333 35.754 -1.583 139 HG21 THR 24 HG21 THR 24 5.955 37.776 -0.081 140 HG22 THR 24 HG22 THR 24 4.240 37.861 -0.488 141 HG23 THR 24 HG23 THR 24 5.463 38.015 -1.758 142 H SER 25 H SER 25 7.046 34.287 0.680 143 HA SER 25 HA SER 25 8.829 36.345 1.765 144 HB2 SER 25 HB2 SER 25 7.182 34.210 3.127 145 HB3 SER 25 HB3 SER 25 8.248 35.345 3.969 146 HG SER 25 HG SER 25 6.955 37.017 3.319 147 H GLY 26 H GLY 26 9.124 33.481 0.199 148 HA2 GLY 26 HA2 GLY 26 11.216 32.451 -0.125 149 HA3 GLY 26 HA3 GLY 26 11.714 33.022 1.459 150 H CYS 27 H CYS 27 11.701 30.354 0.160 151 HA CYS 27 HA CYS 27 9.964 28.865 1.979 152 HB2 CYS 27 HB2 CYS 27 9.776 28.216 -0.345 153 HB3 CYS 27 HB3 CYS 27 11.517 27.992 -0.460 154 H ASN 28 H ASN 28 10.771 27.201 3.265 155 HA ASN 28 HA ASN 28 13.646 26.832 3.507 156 HB2 ASN 28 HB2 ASN 28 13.074 28.743 5.027 157 HB3 ASN 28 HB3 ASN 28 11.948 27.696 5.875 158 HD21 ASN 28 HD21 ASN 28 12.720 26.197 7.328 159 HD22 ASN 28 HD22 ASN 28 14.377 26.131 7.822 160 H CYS 29 H CYS 29 10.908 25.440 2.941 161 HA CYS 29 HA CYS 29 10.583 23.574 5.050 162 HB2 CYS 29 HB2 CYS 29 9.516 23.616 2.245 163 HB3 CYS 29 HB3 CYS 29 9.104 22.380 3.426 164 H THR 30 H THR 30 10.730 21.321 4.856 165 HA THR 30 HA THR 30 13.319 20.446 4.064 166 HB THR 30 HB THR 30 12.416 18.209 4.843 167 HG1 THR 30 HG1 THR 30 10.145 19.168 4.353 168 HG21 THR 30 HG21 THR 30 12.298 18.894 7.209 169 HG22 THR 30 HG22 THR 30 12.095 20.573 6.709 170 HG23 THR 30 HG23 THR 30 13.605 19.727 6.367 171 H ASP 31 H ASP 31 13.750 18.665 2.593 172 HA ASP 31 HA ASP 31 12.553 18.881 0.067 173 HB2 ASP 31 HB2 ASP 31 14.805 17.952 0.403 174 HB3 ASP 31 HB3 ASP 31 14.115 16.549 1.210 175 H ASP 32 H ASP 32 11.725 16.966 2.816 176 HA ASP 32 HA ASP 32 10.087 15.021 1.571 177 HB2 ASP 32 HB2 ASP 32 9.929 16.058 4.407 178 HB3 ASP 32 HB3 ASP 32 9.304 14.525 3.813 179 H CYS 33 H CYS 33 9.644 18.309 1.882 180 HA CYS 33 HA CYS 33 6.968 18.635 2.623 181 HB2 CYS 33 HB2 CYS 33 8.601 20.479 2.359 182 HB3 CYS 33 HB3 CYS 33 8.565 20.243 0.617 183 H LYS 34 H LYS 34 5.049 18.388 1.554 184 HA LYS 34 HA LYS 34 5.242 17.223 -1.133 185 HB2 LYS 34 HB2 LYS 34 3.078 16.892 0.958 186 HB3 LYS 34 HB3 LYS 34 3.014 16.206 -0.658 187 HG2 LYS 34 HG2 LYS 34 5.080 14.918 -0.136 188 HG3 LYS 34 HG3 LYS 34 5.004 15.539 1.511 189 HD2 LYS 34 HD2 LYS 34 2.862 13.872 0.168 190 HD3 LYS 34 HD3 LYS 34 4.050 13.265 1.321 191 HE2 LYS 34 HE2 LYS 34 3.149 14.816 3.011 192 HE3 LYS 34 HE3 LYS 34 1.933 15.342 1.847 193 HZ1 LYS 34 HZ1 LYS 34 1.029 13.697 3.330 194 HZ2 LYS 34 HZ2 LYS 34 2.249 12.600 2.928 195 HZ3 LYS 34 HZ3 LYS 34 1.113 13.056 1.765 196 H CYS 35 H CYS 35 4.871 20.184 -0.104 197 HA CYS 35 HA CYS 35 2.413 20.758 -1.592 198 HB2 CYS 35 HB2 CYS 35 2.611 21.723 0.677 199 HB3 CYS 35 HB3 CYS 35 4.040 22.609 0.137 200 H GLN 36 H GLN 36 2.597 21.344 -3.628 201 HA GLN 36 HA GLN 36 5.178 22.131 -4.698 202 HB2 GLN 36 HB2 GLN 36 4.171 21.909 -6.852 203 HB3 GLN 36 HB3 GLN 36 3.691 20.531 -5.869 204 HG2 GLN 36 HG2 GLN 36 1.533 21.498 -5.481 205 HG3 GLN 36 HG3 GLN 36 2.002 22.971 -6.326 206 HE21 GLN 36 HE21 GLN 36 2.204 22.933 -8.552 207 HE22 GLN 36 HE22 GLN 36 1.501 21.674 -9.505 208 H SER 37 H SER 37 2.849 23.808 -3.164 209 HA SER 37 HA SER 37 2.453 25.980 -4.974 210 HB2 SER 37 HB2 SER 37 1.986 25.983 -1.992 211 HB3 SER 37 HB3 SER 37 1.203 26.992 -3.209 212 HG SER 37 HG SER 37 0.510 24.557 -2.327 213 H CYS 38 H CYS 38 4.850 25.127 -2.633 214 HA CYS 38 HA CYS 38 5.894 27.865 -2.731 215 HB2 CYS 38 HB2 CYS 38 7.115 27.246 -0.668 216 HB3 CYS 38 HB3 CYS 38 5.360 27.173 -0.504 217 H LYS 39 H LYS 39 6.798 24.489 -2.980 218 HA LYS 39 HA LYS 39 9.575 25.054 -3.335 219 HB2 LYS 39 HB2 LYS 39 9.836 22.687 -3.496 220 HB3 LYS 39 HB3 LYS 39 8.816 23.138 -2.132 221 HG2 LYS 39 HG2 LYS 39 6.864 22.722 -3.698 222 HG3 LYS 39 HG3 LYS 39 8.043 21.878 -4.710 223 HD2 LYS 39 HD2 LYS 39 8.709 20.673 -2.609 224 HD3 LYS 39 HD3 LYS 39 7.209 21.303 -1.924 225 HE2 LYS 39 HE2 LYS 39 5.873 20.016 -3.297 226 HE3 LYS 39 HE3 LYS 39 7.078 19.952 -4.580 227 HZ1 LYS 39 HZ1 LYS 39 7.233 18.456 -2.013 228 HZ2 LYS 39 HZ2 LYS 39 8.343 18.363 -3.279 229 HZ3 LYS 39 HZ3 LYS 39 6.768 17.798 -3.498 230 H TYR 40 H TYR 40 7.063 25.196 -5.486 231 HA TYR 40 HA TYR 40 8.590 24.118 -7.727 232 HB2 TYR 40 HB2 TYR 40 5.743 24.846 -7.331 233 HB3 TYR 40 HB3 TYR 40 6.395 25.035 -8.955 234 HD1 TYR 40 HD1 TYR 40 7.333 22.429 -6.488 235 HD2 TYR 40 HD2 TYR 40 5.258 23.310 -10.091 236 HE1 TYR 40 HE1 TYR 40 7.016 20.023 -6.884 237 HE2 TYR 40 HE2 TYR 40 4.932 20.908 -10.499 238 HH TYR 40 HH TYR 40 6.059 18.754 -9.832 239 H GLY 41 H GLY 41 8.950 25.322 -9.651 240 HA2 GLY 41 HA2 GLY 41 8.978 27.453 -10.784 241 HA3 GLY 41 HA3 GLY 41 9.084 28.227 -9.208 242 H ALA 42 H ALA 42 11.070 26.754 -8.004 243 HA ALA 42 HA ALA 42 13.372 27.812 -9.404 244 HB1 ALA 42 HB1 ALA 42 13.148 28.218 -7.010 245 HB2 ALA 42 HB2 ALA 42 14.601 27.276 -7.365 246 HB3 ALA 42 HB3 ALA 42 13.172 26.478 -6.713 247 H GLY 43 H GLY 43 11.826 24.822 -9.024 248 HA2 GLY 43 HA2 GLY 43 14.182 23.453 -10.114 249 HA3 GLY 43 HA3 GLY 43 13.107 22.726 -8.943 250 H CYS 44 H CYS 44 11.077 24.370 -10.834 251 HA CYS 44 HA CYS 44 10.679 22.046 -12.595 252 HB2 CYS 44 HB2 CYS 44 8.689 23.332 -10.767 253 HB3 CYS 44 HB3 CYS 44 8.161 22.484 -12.212 254 H THR 45 H THR 45 8.586 22.599 -13.974 255 HA THR 45 HA THR 45 8.693 25.291 -15.023 256 HB THR 45 HB THR 45 10.362 24.029 -16.349 257 HG1 THR 45 HG1 THR 45 9.665 24.906 -18.177 258 HG21 THR 45 HG21 THR 45 9.635 22.170 -17.790 259 HG22 THR 45 HG22 THR 45 8.037 22.225 -17.046 260 HG23 THR 45 HG23 THR 45 9.444 21.780 -16.082 261 H ASP 46 H ASP 46 7.010 25.216 -16.980 262 HA ASP 46 HA ASP 46 4.478 24.571 -15.767 263 HB2 ASP 46 HB2 ASP 46 4.671 26.607 -17.028 264 HB3 ASP 46 HB3 ASP 46 5.235 25.741 -18.446 265 H THR 47 H THR 47 6.609 22.973 -17.843 266 HA THR 47 HA THR 47 4.685 21.338 -19.196 267 HB THR 47 HB THR 47 7.568 20.592 -19.037 268 HG1 THR 47 HG1 THR 47 7.083 22.568 -20.885 269 HG21 THR 47 HG21 THR 47 6.016 19.379 -20.507 270 HG22 THR 47 HG22 THR 47 7.239 20.239 -21.443 271 HG23 THR 47 HG23 THR 47 5.605 20.890 -21.319 272 H CYS 48 H CYS 48 6.756 21.034 -16.353 273 HA CYS 48 HA CYS 48 6.387 18.195 -16.114 274 HB2 CYS 48 HB2 CYS 48 8.445 19.093 -15.300 275 HB3 CYS 48 HB3 CYS 48 7.602 20.238 -14.261 276 H LYS 49 H LYS 49 4.783 21.011 -14.887 277 HA LYS 49 HA LYS 49 3.553 19.803 -12.627 278 HB2 LYS 49 HB2 LYS 49 2.199 21.782 -12.519 279 HB3 LYS 49 HB3 LYS 49 3.855 22.230 -12.900 280 HG2 LYS 49 HG2 LYS 49 3.211 22.384 -15.288 281 HG3 LYS 49 HG3 LYS 49 1.539 22.083 -14.812 282 HD2 LYS 49 HD2 LYS 49 3.255 24.367 -13.871 283 HD3 LYS 49 HD3 LYS 49 2.000 24.469 -15.107 284 HE2 LYS 49 HE2 LYS 49 0.315 23.837 -13.468 285 HE3 LYS 49 HE3 LYS 49 1.561 23.656 -12.237 286 HZ1 LYS 49 HZ1 LYS 49 0.371 25.772 -12.093 287 HZ2 LYS 49 HZ2 LYS 49 0.927 26.194 -13.630 288 HZ3 LYS 49 HZ3 LYS 49 2.024 25.993 -12.362 289 H GLN 50 H GLN 50 3.077 19.134 -15.800 290 HA GLN 50 HA GLN 50 0.238 18.952 -15.870 291 HB2 GLN 50 HB2 GLN 50 2.289 17.722 -17.687 292 HB3 GLN 50 HB3 GLN 50 0.566 17.887 -18.013 293 HG2 GLN 50 HG2 GLN 50 0.965 20.397 -17.636 294 HG3 GLN 50 HG3 GLN 50 2.659 20.001 -17.851 295 HE21 GLN 50 HE21 GLN 50 2.730 21.263 -19.674 296 HE22 GLN 50 HE22 GLN 50 2.050 20.720 -21.156 297 H THR 51 H THR 51 -0.424 16.553 -16.807 298 HA THR 51 HA THR 51 0.625 14.547 -14.966 299 HB THR 51 HB THR 51 -2.337 15.058 -15.352 300 HG1 THR 51 HG1 THR 51 -1.367 16.677 -14.070 301 HG21 THR 51 HG21 THR 51 -2.584 13.442 -13.502 302 HG22 THR 51 HG22 THR 51 -0.840 13.185 -13.504 303 HG23 THR 51 HG23 THR 51 -1.803 12.710 -14.903 304 HA PRO 52 HA PRO 52 1.037 12.516 -14.790 305 HB2 PRO 52 HB2 PRO 52 3.035 11.303 -16.587 306 HB3 PRO 52 HB3 PRO 52 2.120 10.557 -15.275 307 HG2 PRO 52 HG2 PRO 52 1.605 9.984 -17.849 308 HG3 PRO 52 HG3 PRO 52 0.323 10.062 -16.629 309 HD2 PRO 52 HD2 PRO 52 1.092 12.088 -18.691 310 HD3 PRO 52 HD3 PRO 52 -0.524 11.565 -18.168 311 H CYS 53 H CYS 53 2.653 13.520 -17.759 312 HA CYS 53 HA CYS 53 3.750 15.841 -16.560 313 HB2 CYS 53 HB2 CYS 53 5.264 14.050 -15.706 314 HB3 CYS 53 HB3 CYS 53 5.699 13.686 -17.368 315 H GLY 54 H GLY 54 4.340 17.303 -18.142 316 HA2 GLY 54 HA2 GLY 54 3.770 16.467 -20.861 317 HA3 GLY 54 HA3 GLY 54 4.023 18.114 -20.302 318 H CYS 55 H CYS 55 6.567 17.144 -18.895 319 HA CYS 55 HA CYS 55 8.379 17.969 -20.830 320 HB2 CYS 55 HB2 CYS 55 8.798 16.361 -18.318 321 HB3 CYS 55 HB3 CYS 55 10.115 17.015 -19.276 322 H GLY 56 H GLY 56 8.305 14.685 -19.440 323 HA2 GLY 56 HA2 GLY 56 8.787 12.636 -20.368 324 HA3 GLY 56 HA3 GLY 56 8.349 13.333 -21.926 325 H SER 57 H SER 57 9.922 13.468 -23.372 326 HA SER 57 HA SER 57 12.682 13.323 -22.442 327 HB2 SER 57 HB2 SER 57 11.557 13.161 -25.248 328 HB3 SER 57 HB3 SER 57 13.245 12.911 -24.805 329 HG SER 57 HG SER 57 12.073 11.275 -23.267 330 H GLY 58 H GLY 58 10.379 15.550 -23.332 331 HA2 GLY 58 HA2 GLY 58 12.373 17.540 -24.207 332 HA3 GLY 58 HA3 GLY 58 10.644 17.630 -24.539 333 H CYS 59 H CYS 59 12.949 17.548 -21.916 334 HA CYS 59 HA CYS 59 11.031 18.653 -20.079 335 HB2 CYS 59 HB2 CYS 59 12.320 16.985 -19.142 336 HB3 CYS 59 HB3 CYS 59 13.816 17.582 -19.858 337 H ASN 60 H ASN 60 11.181 20.602 -19.025 338 HA ASN 60 HA ASN 60 13.072 22.584 -20.102 339 HB2 ASN 60 HB2 ASN 60 10.892 22.784 -21.285 340 HB3 ASN 60 HB3 ASN 60 10.078 22.989 -19.743 341 HD21 ASN 60 HD21 ASN 60 12.274 24.452 -22.042 342 HD22 ASN 60 HD22 ASN 60 12.075 26.075 -21.483 343 H CYS 61 H CYS 61 12.678 20.987 -17.530 344 HA CYS 61 HA CYS 61 11.881 22.828 -15.513 345 HB2 CYS 61 HB2 CYS 61 13.127 20.131 -15.525 346 HB3 CYS 61 HB3 CYS 61 13.206 21.078 -14.045 347 H LYS 62 H LYS 62 13.655 22.719 -13.532 348 HA LYS 62 HA LYS 62 15.711 24.570 -14.493 349 HB2 LYS 62 HB2 LYS 62 14.501 24.082 -11.781 350 HB3 LYS 62 HB3 LYS 62 15.756 25.260 -12.073 351 HG2 LYS 62 HG2 LYS 62 13.182 25.380 -13.585 352 HG3 LYS 62 HG3 LYS 62 13.286 26.008 -11.941 353 HD2 LYS 62 HD2 LYS 62 15.146 26.838 -14.160 354 HD3 LYS 62 HD3 LYS 62 13.650 27.690 -13.778 355 HE2 LYS 62 HE2 LYS 62 14.506 27.987 -11.450 356 HE3 LYS 62 HE3 LYS 62 16.039 27.293 -11.979 357 HZ1 LYS 62 HZ1 LYS 62 16.291 29.092 -13.545 358 HZ2 LYS 62 HZ2 LYS 62 16.055 29.718 -11.993 359 HZ3 LYS 62 HZ3 LYS 62 14.788 29.729 -13.107 360 H GLU 63 H GLU 63 15.573 22.622 -11.561 361 HA GLU 63 HA GLU 63 17.398 20.642 -12.340 362 HB2 GLU 63 HB2 GLU 63 18.953 22.639 -12.229 363 HB3 GLU 63 HB3 GLU 63 18.621 22.712 -10.504 364 HG2 GLU 63 HG2 GLU 63 19.545 20.494 -10.203 365 HG3 GLU 63 HG3 GLU 63 19.818 20.354 -11.938 366 H ASP 64 H ASP 64 15.971 22.559 -9.730 367 HA ASP 64 HA ASP 64 16.185 20.430 -7.816 368 HB2 ASP 64 HB2 ASP 64 16.107 22.897 -7.206 369 HB3 ASP 64 HB3 ASP 64 14.420 22.888 -7.656 370 H CYS 65 H CYS 65 15.169 19.163 -9.779 371 HA CYS 65 HA CYS 65 12.305 18.884 -9.167 372 HB2 CYS 65 HB2 CYS 65 12.634 19.594 -11.480 373 HB3 CYS 65 HB3 CYS 65 13.759 18.268 -11.749 374 H ARG 66 H ARG 66 11.584 16.888 -8.601 375 HA ARG 66 HA ARG 66 13.585 14.738 -8.577 376 HB2 ARG 66 HB2 ARG 66 12.637 13.913 -6.444 377 HB3 ARG 66 HB3 ARG 66 13.375 15.494 -6.300 378 HG2 ARG 66 HG2 ARG 66 10.426 15.205 -6.674 379 HG3 ARG 66 HG3 ARG 66 11.188 15.006 -5.093 380 HD2 ARG 66 HD2 ARG 66 11.526 17.444 -6.833 381 HD3 ARG 66 HD3 ARG 66 10.326 17.315 -5.550 382 HE ARG 66 HE ARG 66 12.603 16.739 -4.245 383 HH11 ARG 66 HH11 ARG 66 11.765 19.358 -6.417 384 HH12 ARG 66 HH12 ARG 66 12.848 20.495 -5.679 385 HH21 ARG 66 HH21 ARG 66 14.015 18.261 -3.231 386 HH22 ARG 66 HH22 ARG 66 14.127 19.872 -3.887 387 H CYS 67 H CYS 67 11.489 15.390 -10.462 388 HA CYS 67 HA CYS 67 9.484 13.347 -10.162 389 HB2 CYS 67 HB2 CYS 67 8.961 15.454 -11.292 390 HB3 CYS 67 HB3 CYS 67 10.181 15.110 -12.509 391 H GLN 68 H GLN 68 9.389 11.402 -11.230 392 HA GLN 68 HA GLN 68 11.892 10.509 -12.456 393 HB2 GLN 68 HB2 GLN 68 10.908 8.209 -12.206 394 HB3 GLN 68 HB3 GLN 68 11.194 9.059 -10.696 395 HG2 GLN 68 HG2 GLN 68 8.510 9.440 -11.789 396 HG3 GLN 68 HG3 GLN 68 8.894 7.770 -11.382 397 HE21 GLN 68 HE21 GLN 68 10.394 10.397 -9.667 398 HE22 GLN 68 HE22 GLN 68 9.543 10.199 -8.182 399 H SER 69 H SER 69 9.285 11.966 -13.609 400 HA SER 69 HA SER 69 8.797 10.130 -15.807 401 HB2 SER 69 HB2 SER 69 7.463 12.740 -15.086 402 HB3 SER 69 HB3 SER 69 6.983 11.676 -16.406 403 HG SER 69 HG SER 69 6.292 11.548 -13.840 404 H CYS 70 H CYS 70 10.450 13.131 -15.127 405 HA CYS 70 HA CYS 70 11.098 13.274 -17.984 406 HB2 CYS 70 HB2 CYS 70 11.208 15.669 -17.855 407 HB3 CYS 70 HB3 CYS 70 9.656 15.116 -17.236 408 H SER 71 H SER 71 12.299 12.776 -14.919 409 HA SER 71 HA SER 71 14.741 14.044 -14.817 410 HB2 SER 71 HB2 SER 71 15.474 12.025 -13.466 411 HB3 SER 71 HB3 SER 71 14.001 12.822 -12.915 412 HG SER 71 HG SER 71 13.664 10.608 -12.958 413 H THR 72 H THR 72 16.808 13.587 -15.511 414 HA THR 72 HA THR 72 17.070 12.166 -17.966 415 HB THR 72 HB THR 72 18.449 14.184 -17.376 416 HG1 THR 72 HG1 THR 72 19.257 12.894 -19.002 417 HG21 THR 72 HG21 THR 72 18.887 13.648 -15.030 418 HG22 THR 72 HG22 THR 72 20.395 13.892 -15.912 419 HG23 THR 72 HG23 THR 72 19.858 12.260 -15.523 420 H ALA 73 H ALA 73 19.007 10.551 -18.111 421 HA ALA 73 HA ALA 73 18.232 8.243 -16.754 422 HB1 ALA 73 HB1 ALA 73 20.142 7.174 -17.733 423 HB2 ALA 73 HB2 ALA 73 20.886 8.736 -18.085 424 HB3 ALA 73 HB3 ALA 73 19.403 8.254 -18.913 425 H CYS 74 H CYS 74 18.382 7.904 -14.707 426 HA CYS 74 HA CYS 74 20.180 9.108 -12.904 427 HB2 CYS 74 HB2 CYS 74 17.977 8.203 -12.261 428 HB3 CYS 74 HB3 CYS 74 18.523 6.586 -12.668 429 H LYS 75 H LYS 75 21.993 8.176 -11.844 430 HA LYS 75 HA LYS 75 23.560 6.437 -13.528 431 HB2 LYS 75 HB2 LYS 75 24.106 7.863 -10.945 432 HB3 LYS 75 HB3 LYS 75 25.209 6.620 -11.514 433 HG2 LYS 75 HG2 LYS 75 24.416 9.019 -13.147 434 HG3 LYS 75 HG3 LYS 75 25.843 8.962 -12.110 435 HD2 LYS 75 HD2 LYS 75 26.813 7.201 -13.417 436 HD3 LYS 75 HD3 LYS 75 25.321 6.983 -14.334 437 HE2 LYS 75 HE2 LYS 75 25.561 9.261 -15.233 438 HE3 LYS 75 HE3 LYS 75 27.077 9.441 -14.353 439 HZ1 LYS 75 HZ1 LYS 75 26.561 7.406 -16.454 440 HZ2 LYS 75 HZ2 LYS 75 28.033 7.673 -15.666 441 HZ3 LYS 75 HZ3 LYS 75 27.399 8.854 -16.691 442 H CYS 76 H CYS 76 21.383 5.994 -11.013 443 HA CYS 76 HA CYS 76 22.529 3.462 -10.200 444 HB2 CYS 76 HB2 CYS 76 20.040 4.890 -9.261 445 HB3 CYS 76 HB3 CYS 76 20.751 3.461 -8.519 446 H ALA 77 H ALA 77 21.755 1.533 -10.855 447 HA ALA 77 HA ALA 77 19.146 1.057 -11.834 448 HB1 ALA 77 HB1 ALA 77 19.963 2.283 -13.791 449 HB2 ALA 77 HB2 ALA 77 19.708 0.581 -14.183 450 HB3 ALA 77 HB3 ALA 77 21.342 1.189 -13.906 451 H ALA 78 H ALA 78 18.797 -1.161 -12.236 452 HA ALA 78 HA ALA 78 19.090 -3.397 -11.982 453 HB1 ALA 78 HB1 ALA 78 20.580 -3.098 -13.898 454 HB2 ALA 78 HB2 ALA 78 21.152 -4.381 -12.834 455 HB3 ALA 78 HB3 ALA 78 21.930 -2.801 -12.804 456 H GLY 79 H GLY 79 19.824 -1.512 -9.703 457 HA2 GLY 79 HA2 GLY 79 20.066 -2.255 -7.441 458 HA3 GLY 79 HA3 GLY 79 21.026 -3.604 -8.027 459 H SER 80 H SER 80 21.808 -0.621 -9.450 460 HA SER 80 HA SER 80 24.312 -0.574 -7.973 461 HB2 SER 80 HB2 SER 80 24.298 -0.516 -10.472 462 HB3 SER 80 HB3 SER 80 23.491 1.047 -10.392 463 HG SER 80 HG SER 80 25.340 1.761 -9.134 464 H CYS 81 H CYS 81 21.692 0.443 -6.821 465 HA CYS 81 HA CYS 81 21.804 3.262 -6.701 466 HB2 CYS 81 HB2 CYS 81 19.793 2.038 -6.095 467 HB3 CYS 81 HB3 CYS 81 20.636 1.278 -4.750 468 H LYS 82 H LYS 82 22.546 4.593 -4.958 469 HA LYS 82 HA LYS 82 24.304 3.428 -2.979 470 HB2 LYS 82 HB2 LYS 82 26.260 4.749 -3.763 471 HB3 LYS 82 HB3 LYS 82 25.795 3.408 -4.803 472 HG2 LYS 82 HG2 LYS 82 24.452 5.173 -6.103 473 HG3 LYS 82 HG3 LYS 82 25.474 6.338 -5.257 474 HD2 LYS 82 HD2 LYS 82 27.450 5.147 -6.074 475 HD3 LYS 82 HD3 LYS 82 26.389 4.058 -6.971 476 HE2 LYS 82 HE2 LYS 82 25.554 5.894 -8.302 477 HE3 LYS 82 HE3 LYS 82 26.483 7.049 -7.348 478 HZ1 LYS 82 HZ1 LYS 82 28.514 6.066 -8.164 479 HZ2 LYS 82 HZ2 LYS 82 27.539 6.507 -9.472 480 HZ3 LYS 82 HZ3 LYS 82 27.648 4.892 -9.017 481 H CYS 83 H CYS 83 22.059 5.648 -3.676 482 HA CYS 83 HA CYS 83 23.279 7.824 -2.164 483 HB2 CYS 83 HB2 CYS 83 21.150 9.041 -2.795 484 HB3 CYS 83 HB3 CYS 83 22.218 8.601 -4.125 485 H GLY 84 H GLY 84 21.200 5.172 -1.703 486 HA2 GLY 84 HA2 GLY 84 20.634 4.517 0.529 487 HA3 GLY 84 HA3 GLY 84 20.558 6.214 0.971 488 H LYS 85 H LYS 85 19.079 6.095 -1.906 489 HA LYS 85 HA LYS 85 16.449 6.206 -0.699 490 HB2 LYS 85 HB2 LYS 85 17.207 6.411 -3.612 491 HB3 LYS 85 HB3 LYS 85 15.676 6.881 -2.889 492 HG2 LYS 85 HG2 LYS 85 18.344 8.156 -2.367 493 HG3 LYS 85 HG3 LYS 85 17.051 8.806 -3.377 494 HD2 LYS 85 HD2 LYS 85 15.580 8.876 -1.410 495 HD3 LYS 85 HD3 LYS 85 16.914 8.282 -0.413 496 HE2 LYS 85 HE2 LYS 85 18.225 10.207 -0.948 497 HE3 LYS 85 HE3 LYS 85 16.987 10.792 -2.055 498 HZ1 LYS 85 HZ1 LYS 85 15.477 11.058 -0.187 499 HZ2 LYS 85 HZ2 LYS 85 16.891 11.930 0.086 500 HZ3 LYS 85 HZ3 LYS 85 16.644 10.461 0.879 501 H GLY 86 H GLY 86 18.182 4.243 -2.994 502 HA2 GLY 86 HA2 GLY 86 17.877 1.969 -3.471 503 HA3 GLY 86 HA3 GLY 86 16.439 1.979 -2.452 504 H CYS 87 H CYS 87 17.420 3.854 -5.287 505 HA CYS 87 HA CYS 87 14.738 3.547 -6.372 506 HB2 CYS 87 HB2 CYS 87 15.704 5.201 -8.089 507 HB3 CYS 87 HB3 CYS 87 15.456 5.775 -6.440 508 H THR 88 H THR 88 18.086 3.121 -7.401 509 HA THR 88 HA THR 88 19.099 1.852 -8.973 510 HB THR 88 HB THR 88 18.377 -0.466 -9.248 511 HG1 THR 88 HG1 THR 88 15.956 0.552 -8.458 512 HG21 THR 88 HG21 THR 88 19.633 0.094 -7.272 513 HG22 THR 88 HG22 THR 88 18.431 -1.138 -6.879 514 HG23 THR 88 HG23 THR 88 18.155 0.542 -6.420 515 H GLY 89 H GLY 89 17.326 3.800 -10.001 516 HA2 GLY 89 HA2 GLY 89 17.421 3.405 -12.651 517 HA3 GLY 89 HA3 GLY 89 15.933 2.569 -12.221 518 HA PRO 90 HA PRO 90 15.738 7.449 -12.388 519 HB2 PRO 90 HB2 PRO 90 14.984 7.660 -15.070 520 HB3 PRO 90 HB3 PRO 90 16.552 8.097 -14.395 521 HG2 PRO 90 HG2 PRO 90 15.751 5.682 -15.904 522 HG3 PRO 90 HG3 PRO 90 17.328 6.467 -15.788 523 HD2 PRO 90 HD2 PRO 90 16.690 4.136 -14.524 524 HD3 PRO 90 HD3 PRO 90 17.922 5.264 -13.944 525 H ASP 91 H ASP 91 13.870 4.847 -13.830 526 HA ASP 91 HA ASP 91 11.380 6.293 -13.790 527 HB2 ASP 91 HB2 ASP 91 12.009 3.362 -14.125 528 HB3 ASP 91 HB3 ASP 91 10.367 3.981 -14.107 529 H SER 92 H SER 92 13.200 4.502 -11.504 530 HA SER 92 HA SER 92 10.921 4.491 -9.637 531 HB2 SER 92 HB2 SER 92 13.498 2.907 -9.457 532 HB3 SER 92 HB3 SER 92 12.090 2.751 -8.406 533 HG SER 92 HG SER 92 12.076 2.288 -11.206 534 H CYS 93 H CYS 93 13.194 6.461 -10.499 535 HA CYS 93 HA CYS 93 14.571 6.999 -8.039 536 HB2 CYS 93 HB2 CYS 93 15.596 7.348 -10.259 537 HB3 CYS 93 HB3 CYS 93 14.402 8.594 -10.598 538 H LYS 94 H LYS 94 13.748 8.151 -6.425 539 HA LYS 94 HA LYS 94 11.450 9.917 -7.000 540 HB2 LYS 94 HB2 LYS 94 12.007 8.571 -4.358 541 HB3 LYS 94 HB3 LYS 94 10.526 9.360 -4.873 542 HG2 LYS 94 HG2 LYS 94 11.634 6.758 -5.914 543 HG3 LYS 94 HG3 LYS 94 10.235 6.965 -4.862 544 HD2 LYS 94 HD2 LYS 94 9.118 8.240 -6.670 545 HD3 LYS 94 HD3 LYS 94 10.503 7.916 -7.715 546 HE2 LYS 94 HE2 LYS 94 8.775 6.325 -8.214 547 HE3 LYS 94 HE3 LYS 94 10.099 5.487 -7.406 548 HZ1 LYS 94 HZ1 LYS 94 8.005 4.766 -6.516 549 HZ2 LYS 94 HZ2 LYS 94 7.546 6.352 -6.167 550 HZ3 LYS 94 HZ3 LYS 94 8.823 5.639 -5.323 551 H CYS 95 H CYS 95 14.325 10.562 -6.968 552 HA CYS 95 HA CYS 95 14.273 12.527 -4.793 553 HB2 CYS 95 HB2 CYS 95 16.945 12.141 -5.128 554 HB3 CYS 95 HB3 CYS 95 15.964 11.368 -3.889 555 H ASP 96 H ASP 96 15.666 14.400 -5.122 556 HA ASP 96 HA ASP 96 15.118 15.540 -7.653 557 HB2 ASP 96 HB2 ASP 96 16.193 17.567 -6.772 558 HB3 ASP 96 HB3 ASP 96 14.988 16.918 -5.673 559 H ARG 97 H ARG 97 16.822 16.873 -8.755 560 HA ARG 97 HA ARG 97 18.710 14.983 -9.746 561 HB2 ARG 97 HB2 ARG 97 18.523 17.880 -10.544 562 HB3 ARG 97 HB3 ARG 97 19.194 16.551 -11.480 563 HG2 ARG 97 HG2 ARG 97 16.919 15.546 -11.537 564 HG3 ARG 97 HG3 ARG 97 16.328 17.022 -10.765 565 HD2 ARG 97 HD2 ARG 97 17.202 18.335 -12.650 566 HD3 ARG 97 HD3 ARG 97 17.699 16.836 -13.449 567 HE ARG 97 HE ARG 97 14.969 16.667 -12.800 568 HH11 ARG 97 HH11 ARG 97 17.062 18.441 -14.983 569 HH12 ARG 97 HH12 ARG 97 15.842 18.694 -16.180 570 HH21 ARG 97 HH21 ARG 97 13.300 17.024 -14.389 571 HH22 ARG 97 HH22 ARG 97 13.685 17.884 -15.833 572 H SER 98 H SER 98 18.869 16.883 -7.141 573 HA SER 98 HA SER 98 21.745 17.357 -7.455 574 HB2 SER 98 HB2 SER 98 20.227 19.338 -6.979 575 HB3 SER 98 HB3 SER 98 19.915 18.615 -5.402 576 HG SER 98 HG SER 98 22.124 18.766 -4.946 577 H CYS 99 H CYS 99 20.329 14.818 -6.752 578 HA CYS 99 HA CYS 99 20.960 14.465 -3.939 579 HB2 CYS 99 HB2 CYS 99 18.933 13.413 -5.020 580 HB3 CYS 99 HB3 CYS 99 20.039 12.346 -5.881 581 H SER 100 H SER 100 22.031 12.186 -3.501 582 HA SER 100 HA SER 100 24.752 12.470 -4.188 583 HB2 SER 100 HB2 SER 100 23.393 10.059 -3.001 584 HB3 SER 100 HB3 SER 100 25.095 10.503 -2.846 585 HG SER 100 HG SER 100 24.458 12.323 -1.661 586 H CYS 101 H CYS 101 22.162 10.495 -5.498 587 HA CYS 101 HA CYS 101 23.849 8.774 -7.050 588 HB2 CYS 101 HB2 CYS 101 21.751 8.122 -8.134 589 HB3 CYS 101 HB3 CYS 101 21.544 8.167 -6.383 590 H LYS 102 H LYS 102 22.150 11.766 -7.459 591 HA LYS 102 HA LYS 102 22.892 11.994 -10.245 592 HB2 LYS 102 HB2 LYS 102 20.543 12.296 -9.125 593 HB3 LYS 102 HB3 LYS 102 21.172 13.879 -8.709 594 HG2 LYS 102 HG2 LYS 102 20.117 14.316 -10.656 595 HG3 LYS 102 HG3 LYS 102 21.756 13.984 -11.193 596 HD2 LYS 102 HD2 LYS 102 19.961 11.654 -11.057 597 HD3 LYS 102 HD3 LYS 102 19.566 12.849 -12.292 598 HE2 LYS 102 HE2 LYS 102 22.220 11.436 -11.949 599 HE3 LYS 102 HE3 LYS 102 21.028 11.131 -13.207 600 HZ1 LYS 102 HZ1 LYS 102 22.717 12.513 -14.131 601 HZ2 LYS 102 HZ2 LYS 102 22.650 13.592 -12.838 602 HZ3 LYS 102 HZ3 LYS 102 21.357 13.493 -13.912 Start of MODEL 13 1 HA2 GLY 1 HA2 GLY 1 23.914 7.582 0.161 2 HA3 GLY 1 HA3 GLY 1 23.819 9.312 0.446 3 H SER 2 H SER 2 21.887 10.236 1.042 4 HA SER 2 HA SER 2 19.384 8.963 0.853 5 HB2 SER 2 HB2 SER 2 18.999 8.589 3.307 6 HB3 SER 2 HB3 SER 2 20.164 7.475 2.592 7 HG SER 2 HG SER 2 21.323 9.757 3.563 8 H MET 3 H MET 3 17.673 10.267 1.698 9 HA MET 3 HA MET 3 18.518 12.937 2.575 10 HB2 MET 3 HB2 MET 3 17.921 13.032 0.190 11 HB3 MET 3 HB3 MET 3 16.351 12.329 0.555 12 HG2 MET 3 HG2 MET 3 15.766 14.285 1.881 13 HG3 MET 3 HG3 MET 3 17.353 14.982 1.567 14 HE1 MET 3 HE1 MET 3 13.920 13.897 0.024 15 HE2 MET 3 HE2 MET 3 15.058 12.989 -0.973 16 HE3 MET 3 HE3 MET 3 14.130 14.313 -1.676 17 H SER 4 H SER 4 17.998 12.614 4.663 18 HA SER 4 HA SER 4 15.378 11.591 5.371 19 HB2 SER 4 HB2 SER 4 17.562 12.580 7.214 20 HB3 SER 4 HB3 SER 4 16.204 11.530 7.623 21 HG SER 4 HG SER 4 18.567 10.952 6.235 22 H SER 5 H SER 5 17.258 14.575 5.570 23 HA SER 5 HA SER 5 14.942 15.971 6.640 24 HB2 SER 5 HB2 SER 5 17.709 17.068 6.106 25 HB3 SER 5 HB3 SER 5 16.437 17.821 7.067 26 HG SER 5 HG SER 5 17.993 16.767 8.372 27 H VAL 6 H VAL 6 13.656 15.841 4.790 28 HA VAL 6 HA VAL 6 14.579 17.216 2.404 29 HB VAL 6 HB VAL 6 13.163 15.123 2.330 30 HG11 VAL 6 HG11 VAL 6 10.745 15.347 2.587 31 HG12 VAL 6 HG12 VAL 6 10.965 17.002 3.156 32 HG13 VAL 6 HG13 VAL 6 11.601 15.653 4.101 33 HG21 VAL 6 HG21 VAL 6 13.428 16.513 0.358 34 HG22 VAL 6 HG22 VAL 6 12.110 17.559 0.890 35 HG23 VAL 6 HG23 VAL 6 11.780 15.888 0.433 36 H PHE 7 H PHE 7 13.184 17.972 5.318 37 HA PHE 7 HA PHE 7 12.022 20.449 4.264 38 HB2 PHE 7 HB2 PHE 7 11.465 19.068 6.905 39 HB3 PHE 7 HB3 PHE 7 10.730 20.575 6.366 40 HD1 PHE 7 HD1 PHE 7 10.219 17.160 6.670 41 HD2 PHE 7 HD2 PHE 7 9.619 20.357 3.929 42 HE1 PHE 7 HE1 PHE 7 8.433 15.875 5.569 43 HE2 PHE 7 HE2 PHE 7 7.830 19.081 2.824 44 HZ PHE 7 HZ PHE 7 7.235 16.838 3.642 45 H GLY 8 H GLY 8 12.099 22.094 6.293 46 HA2 GLY 8 HA2 GLY 8 14.964 22.209 6.954 47 HA3 GLY 8 HA3 GLY 8 13.938 23.613 6.705 48 H ALA 9 H ALA 9 13.743 24.647 8.527 49 HA ALA 9 HA ALA 9 13.105 23.144 10.970 50 HB1 ALA 9 HB1 ALA 9 15.034 25.458 10.765 51 HB2 ALA 9 HB2 ALA 9 15.475 23.773 11.039 52 HB3 ALA 9 HB3 ALA 9 14.546 24.651 12.255 53 H GLY 10 H GLY 10 11.645 24.706 8.915 54 HA2 GLY 10 HA2 GLY 10 9.895 26.087 10.653 55 HA3 GLY 10 HA3 GLY 10 10.894 27.228 9.763 56 H CYS 11 H CYS 11 9.759 24.112 8.537 57 HA CYS 11 HA CYS 11 8.671 25.349 6.229 58 HB2 CYS 11 HB2 CYS 11 8.329 22.525 7.239 59 HB3 CYS 11 HB3 CYS 11 7.974 23.094 5.612 60 H THR 12 H THR 12 6.428 25.232 5.581 61 HA THR 12 HA THR 12 4.635 25.779 7.757 62 HB THR 12 HB THR 12 2.973 26.198 6.020 63 HG1 THR 12 HG1 THR 12 4.701 25.778 3.893 64 HG21 THR 12 HG21 THR 12 4.579 27.956 6.503 65 HG22 THR 12 HG22 THR 12 4.119 27.970 4.798 66 HG23 THR 12 HG23 THR 12 5.678 27.302 5.289 67 H ASP 13 H ASP 13 2.456 24.716 7.736 68 HA ASP 13 HA ASP 13 2.745 21.858 7.771 69 HB2 ASP 13 HB2 ASP 13 0.209 23.493 8.057 70 HB3 ASP 13 HB3 ASP 13 0.457 21.829 8.576 71 H VAL 14 H VAL 14 1.976 24.240 5.585 72 HA VAL 14 HA VAL 14 0.307 22.764 3.786 73 HB VAL 14 HB VAL 14 1.904 25.280 3.245 74 HG11 VAL 14 HG11 VAL 14 0.993 24.237 1.262 75 HG12 VAL 14 HG12 VAL 14 0.157 25.750 1.611 76 HG13 VAL 14 HG13 VAL 14 -0.612 24.210 1.992 77 HG21 VAL 14 HG21 VAL 14 0.571 25.617 5.251 78 HG22 VAL 14 HG22 VAL 14 -0.870 25.051 4.406 79 HG23 VAL 14 HG23 VAL 14 -0.086 26.548 3.905 80 H CYS 15 H CYS 15 3.693 23.209 4.369 81 HA CYS 15 HA CYS 15 4.642 22.364 1.816 82 HB2 CYS 15 HB2 CYS 15 6.025 23.751 3.278 83 HB3 CYS 15 HB3 CYS 15 5.978 22.519 4.532 84 H LYS 16 H LYS 16 3.542 20.826 4.700 85 HA LYS 16 HA LYS 16 4.740 18.269 4.094 86 HB2 LYS 16 HB2 LYS 16 2.579 18.828 6.132 87 HB3 LYS 16 HB3 LYS 16 3.687 17.465 6.093 88 HG2 LYS 16 HG2 LYS 16 4.454 20.336 6.588 89 HG3 LYS 16 HG3 LYS 16 4.286 19.088 7.819 90 HD2 LYS 16 HD2 LYS 16 6.196 17.937 7.073 91 HD3 LYS 16 HD3 LYS 16 6.187 18.755 5.508 92 HE2 LYS 16 HE2 LYS 16 7.962 19.664 6.889 93 HE3 LYS 16 HE3 LYS 16 6.700 20.872 6.623 94 HZ1 LYS 16 HZ1 LYS 16 6.840 19.188 9.063 95 HZ2 LYS 16 HZ2 LYS 16 5.882 20.557 8.815 96 HZ3 LYS 16 HZ3 LYS 16 7.558 20.711 8.954 97 H GLN 17 H GLN 17 2.342 19.931 2.707 98 HA GLN 17 HA GLN 17 0.261 17.999 2.455 99 HB2 GLN 17 HB2 GLN 17 0.990 20.467 0.902 100 HB3 GLN 17 HB3 GLN 17 -0.230 19.371 0.279 101 HG2 GLN 17 HG2 GLN 17 -1.501 19.685 2.391 102 HG3 GLN 17 HG3 GLN 17 -0.308 20.889 2.878 103 HE21 GLN 17 HE21 GLN 17 -1.894 22.510 2.944 104 HE22 GLN 17 HE22 GLN 17 -2.552 23.204 1.504 105 H THR 18 H THR 18 -0.298 17.404 0.034 106 HA THR 18 HA THR 18 1.943 16.592 -1.552 107 HB THR 18 HB THR 18 0.313 14.403 -0.215 108 HG1 THR 18 HG1 THR 18 2.507 15.689 0.571 109 HG21 THR 18 HG21 THR 18 2.608 14.226 -2.179 110 HG22 THR 18 HG22 THR 18 0.920 13.875 -2.544 111 HG23 THR 18 HG23 THR 18 1.803 12.862 -1.403 112 HA PRO 19 HA PRO 19 2.331 16.973 -3.490 113 HB2 PRO 19 HB2 PRO 19 1.820 19.047 -5.175 114 HB3 PRO 19 HB3 PRO 19 1.832 17.360 -5.700 115 HG2 PRO 19 HG2 PRO 19 -0.493 19.111 -5.006 116 HG3 PRO 19 HG3 PRO 19 -0.317 17.968 -6.349 117 HD2 PRO 19 HD2 PRO 19 -1.702 17.364 -4.109 118 HD3 PRO 19 HD3 PRO 19 -0.798 16.143 -5.026 119 H CYS 20 H CYS 20 3.570 19.007 -3.182 120 HA CYS 20 HA CYS 20 2.988 20.188 -0.750 121 HB2 CYS 20 HB2 CYS 20 5.236 20.110 -1.749 122 HB3 CYS 20 HB3 CYS 20 4.731 21.303 -2.943 123 H GLY 21 H GLY 21 1.776 21.825 -0.131 124 HA2 GLY 21 HA2 GLY 21 0.020 22.951 -2.119 125 HA3 GLY 21 HA3 GLY 21 -0.121 23.105 -0.377 126 H CYS 22 H CYS 22 2.937 23.958 -0.669 127 HA CYS 22 HA CYS 22 2.450 26.717 -0.350 128 HB2 CYS 22 HB2 CYS 22 4.972 25.200 -0.954 129 HB3 CYS 22 HB3 CYS 22 4.956 26.943 -0.732 130 H ALA 23 H ALA 23 2.866 24.829 -3.192 131 HA ALA 23 HA ALA 23 3.730 26.955 -4.882 132 HB1 ALA 23 HB1 ALA 23 2.505 24.307 -5.636 133 HB2 ALA 23 HB2 ALA 23 4.224 24.609 -5.384 134 HB3 ALA 23 HB3 ALA 23 3.376 25.400 -6.713 135 H THR 24 H THR 24 0.664 26.053 -3.641 136 HA THR 24 HA THR 24 -0.585 27.866 -5.592 137 HB THR 24 HB THR 24 -1.263 25.538 -6.072 138 HG1 THR 24 HG1 THR 24 -2.743 27.510 -6.125 139 HG21 THR 24 HG21 THR 24 -2.472 25.603 -3.299 140 HG22 THR 24 HG22 THR 24 -1.106 24.611 -3.807 141 HG23 THR 24 HG23 THR 24 -2.707 24.326 -4.492 142 H SER 25 H SER 25 -0.120 27.078 -2.289 143 HA SER 25 HA SER 25 -2.309 28.864 -1.492 144 HB2 SER 25 HB2 SER 25 -2.259 26.586 -0.484 145 HB3 SER 25 HB3 SER 25 -0.694 26.970 0.228 146 HG SER 25 HG SER 25 -1.622 28.300 1.626 147 H GLY 26 H GLY 26 1.056 28.760 -1.867 148 HA2 GLY 26 HA2 GLY 26 2.290 30.816 -1.661 149 HA3 GLY 26 HA3 GLY 26 1.302 31.208 -0.259 150 H CYS 27 H CYS 27 4.274 30.825 -0.777 151 HA CYS 27 HA CYS 27 4.871 28.656 1.063 152 HB2 CYS 27 HB2 CYS 27 6.214 28.757 -0.936 153 HB3 CYS 27 HB3 CYS 27 6.641 30.433 -0.609 154 H ASN 28 H ASN 28 5.946 28.932 3.012 155 HA ASN 28 HA ASN 28 6.501 31.647 3.946 156 HB2 ASN 28 HB2 ASN 28 4.735 29.768 5.538 157 HB3 ASN 28 HB3 ASN 28 5.240 31.379 6.011 158 HD21 ASN 28 HD21 ASN 28 3.137 29.507 4.007 159 HD22 ASN 28 HD22 ASN 28 2.107 30.807 3.521 160 H CYS 29 H CYS 29 7.874 28.971 3.328 161 HA CYS 29 HA CYS 29 8.838 28.064 5.878 162 HB2 CYS 29 HB2 CYS 29 9.713 27.390 3.072 163 HB3 CYS 29 HB3 CYS 29 10.290 26.588 4.530 164 H THR 30 H THR 30 11.212 27.850 6.255 165 HA THR 30 HA THR 30 12.462 30.439 5.859 166 HB THR 30 HB THR 30 14.113 29.656 7.529 167 HG1 THR 30 HG1 THR 30 14.224 27.618 8.096 168 HG21 THR 30 HG21 THR 30 12.072 30.765 8.310 169 HG22 THR 30 HG22 THR 30 12.598 29.532 9.457 170 HG23 THR 30 HG23 THR 30 11.246 29.208 8.373 171 H ASP 31 H ASP 31 15.025 30.126 5.725 172 HA ASP 31 HA ASP 31 15.554 29.208 3.115 173 HB2 ASP 31 HB2 ASP 31 16.814 31.011 4.261 174 HB3 ASP 31 HB3 ASP 31 17.538 29.804 5.317 175 H ASP 32 H ASP 32 15.528 27.610 6.129 176 HA ASP 32 HA ASP 32 17.415 25.548 5.688 177 HB2 ASP 32 HB2 ASP 32 14.935 25.398 7.393 178 HB3 ASP 32 HB3 ASP 32 16.385 24.418 7.552 179 H CYS 33 H CYS 33 14.284 26.072 4.430 180 HA CYS 33 HA CYS 33 13.298 23.481 4.179 181 HB2 CYS 33 HB2 CYS 33 11.966 25.510 3.788 182 HB3 CYS 33 HB3 CYS 33 12.876 25.818 2.313 183 H LYS 34 H LYS 34 14.081 21.800 3.148 184 HA LYS 34 HA LYS 34 15.904 22.191 0.893 185 HB2 LYS 34 HB2 LYS 34 15.365 19.718 2.543 186 HB3 LYS 34 HB3 LYS 34 16.570 19.858 1.273 187 HG2 LYS 34 HG2 LYS 34 16.539 21.221 3.948 188 HG3 LYS 34 HG3 LYS 34 17.690 20.026 3.348 189 HD2 LYS 34 HD2 LYS 34 17.303 22.820 2.281 190 HD3 LYS 34 HD3 LYS 34 18.636 22.272 3.291 191 HE2 LYS 34 HE2 LYS 34 19.335 20.730 1.541 192 HE3 LYS 34 HE3 LYS 34 17.987 21.248 0.535 193 HZ1 LYS 34 HZ1 LYS 34 18.900 23.454 0.443 194 HZ2 LYS 34 HZ2 LYS 34 20.069 22.350 -0.063 195 HZ3 LYS 34 HZ3 LYS 34 20.165 23.028 1.480 196 H CYS 35 H CYS 35 12.803 22.157 1.033 197 HA CYS 35 HA CYS 35 12.179 19.803 -0.470 198 HB2 CYS 35 HB2 CYS 35 10.572 20.717 1.137 199 HB3 CYS 35 HB3 CYS 35 10.487 22.212 0.215 200 H GLN 36 H GLN 36 11.582 19.732 -2.608 201 HA GLN 36 HA GLN 36 12.498 22.031 -4.196 202 HB2 GLN 36 HB2 GLN 36 12.198 19.146 -5.026 203 HB3 GLN 36 HB3 GLN 36 12.902 20.439 -5.983 204 HG2 GLN 36 HG2 GLN 36 14.031 19.542 -3.349 205 HG3 GLN 36 HG3 GLN 36 14.516 18.853 -4.894 206 HE21 GLN 36 HE21 GLN 36 16.583 19.520 -4.776 207 HE22 GLN 36 HE22 GLN 36 17.073 21.172 -4.918 208 H SER 37 H SER 37 9.747 20.947 -2.994 209 HA SER 37 HA SER 37 8.229 21.036 -5.487 210 HB2 SER 37 HB2 SER 37 7.324 20.237 -2.719 211 HB3 SER 37 HB3 SER 37 6.362 20.128 -4.194 212 HG SER 37 HG SER 37 8.775 18.744 -3.621 213 H CYS 38 H CYS 38 8.976 23.053 -2.803 214 HA CYS 38 HA CYS 38 6.799 24.833 -3.656 215 HB2 CYS 38 HB2 CYS 38 6.835 25.835 -1.455 216 HB3 CYS 38 HB3 CYS 38 6.619 24.094 -1.302 217 H LYS 39 H LYS 39 10.115 24.325 -3.503 218 HA LYS 39 HA LYS 39 10.767 27.161 -3.672 219 HB2 LYS 39 HB2 LYS 39 12.683 24.830 -3.658 220 HB3 LYS 39 HB3 LYS 39 13.045 26.514 -3.327 221 HG2 LYS 39 HG2 LYS 39 11.456 24.629 -1.580 222 HG3 LYS 39 HG3 LYS 39 13.075 25.245 -1.270 223 HD2 LYS 39 HD2 LYS 39 10.497 26.802 -1.302 224 HD3 LYS 39 HD3 LYS 39 11.504 26.444 0.094 225 HE2 LYS 39 HE2 LYS 39 12.288 28.150 -2.258 226 HE3 LYS 39 HE3 LYS 39 11.843 28.737 -0.658 227 HZ1 LYS 39 HZ1 LYS 39 14.252 28.656 -0.967 228 HZ2 LYS 39 HZ2 LYS 39 14.176 27.000 -1.253 229 HZ3 LYS 39 HZ3 LYS 39 13.769 27.609 0.264 230 H TYR 40 H TYR 40 9.324 26.066 -5.842 231 HA TYR 40 HA TYR 40 10.861 25.169 -8.000 232 HB2 TYR 40 HB2 TYR 40 8.315 26.791 -7.961 233 HB3 TYR 40 HB3 TYR 40 9.036 26.174 -9.439 234 HD1 TYR 40 HD1 TYR 40 6.298 25.634 -7.827 235 HD2 TYR 40 HD2 TYR 40 9.892 23.462 -8.508 236 HE1 TYR 40 HE1 TYR 40 5.073 23.524 -7.543 237 HE2 TYR 40 HE2 TYR 40 8.676 21.349 -8.221 238 HH TYR 40 HH TYR 40 5.302 21.166 -8.218 239 H GLY 41 H GLY 41 11.679 26.246 -9.858 240 HA2 GLY 41 HA2 GLY 41 11.931 28.546 -10.874 241 HA3 GLY 41 HA3 GLY 41 12.538 29.001 -9.285 242 H ALA 42 H ALA 42 14.268 27.337 -8.490 243 HA ALA 42 HA ALA 42 16.394 27.477 -10.439 244 HB1 ALA 42 HB1 ALA 42 17.835 26.746 -8.604 245 HB2 ALA 42 HB2 ALA 42 16.415 26.466 -7.595 246 HB3 ALA 42 HB3 ALA 42 16.821 28.103 -8.113 247 H GLY 43 H GLY 43 13.993 25.345 -9.926 248 HA2 GLY 43 HA2 GLY 43 15.642 23.124 -10.902 249 HA3 GLY 43 HA3 GLY 43 14.364 22.898 -9.728 250 H CYS 44 H CYS 44 13.192 25.186 -11.789 251 HA CYS 44 HA CYS 44 11.944 23.122 -13.475 252 HB2 CYS 44 HB2 CYS 44 10.583 25.134 -11.743 253 HB3 CYS 44 HB3 CYS 44 9.791 24.519 -13.188 254 H THR 45 H THR 45 10.237 24.349 -14.916 255 HA THR 45 HA THR 45 11.344 26.730 -16.122 256 HB THR 45 HB THR 45 12.384 24.898 -17.403 257 HG1 THR 45 HG1 THR 45 11.681 25.562 -19.425 258 HG21 THR 45 HG21 THR 45 10.816 23.103 -16.931 259 HG22 THR 45 HG22 THR 45 10.978 23.308 -18.676 260 HG23 THR 45 HG23 THR 45 9.554 23.932 -17.842 261 H ASP 46 H ASP 46 9.699 27.285 -17.990 262 HA ASP 46 HA ASP 46 7.138 27.514 -16.661 263 HB2 ASP 46 HB2 ASP 46 6.524 29.020 -18.524 264 HB3 ASP 46 HB3 ASP 46 8.040 29.485 -17.762 265 H THR 47 H THR 47 8.372 25.136 -18.417 266 HA THR 47 HA THR 47 5.967 24.532 -19.959 267 HB THR 47 HB THR 47 8.481 22.870 -19.924 268 HG1 THR 47 HG1 THR 47 7.995 25.174 -21.543 269 HG21 THR 47 HG21 THR 47 7.813 22.423 -22.253 270 HG22 THR 47 HG22 THR 47 6.412 23.476 -22.047 271 HG23 THR 47 HG23 THR 47 6.538 21.981 -21.118 272 H CYS 48 H CYS 48 7.529 23.747 -17.026 273 HA CYS 48 HA CYS 48 6.313 21.102 -16.791 274 HB2 CYS 48 HB2 CYS 48 8.596 21.230 -16.075 275 HB3 CYS 48 HB3 CYS 48 8.258 22.623 -15.055 276 H LYS 49 H LYS 49 5.891 24.320 -15.705 277 HA LYS 49 HA LYS 49 4.350 23.809 -13.357 278 HB2 LYS 49 HB2 LYS 49 3.872 26.191 -13.459 279 HB3 LYS 49 HB3 LYS 49 5.589 25.867 -13.695 280 HG2 LYS 49 HG2 LYS 49 5.324 26.110 -16.099 281 HG3 LYS 49 HG3 LYS 49 3.599 26.408 -15.885 282 HD2 LYS 49 HD2 LYS 49 5.806 28.070 -14.728 283 HD3 LYS 49 HD3 LYS 49 4.926 28.454 -16.209 284 HE2 LYS 49 HE2 LYS 49 3.745 28.203 -13.443 285 HE3 LYS 49 HE3 LYS 49 4.017 29.706 -14.322 286 HZ1 LYS 49 HZ1 LYS 49 2.438 28.917 -16.008 287 HZ2 LYS 49 HZ2 LYS 49 1.725 29.055 -14.491 288 HZ3 LYS 49 HZ3 LYS 49 2.132 27.533 -15.090 289 H GLN 50 H GLN 50 3.551 23.071 -16.397 290 HA GLN 50 HA GLN 50 0.962 24.292 -16.590 291 HB2 GLN 50 HB2 GLN 50 1.993 21.979 -18.217 292 HB3 GLN 50 HB3 GLN 50 0.736 23.132 -18.651 293 HG2 GLN 50 HG2 GLN 50 2.652 24.876 -18.368 294 HG3 GLN 50 HG3 GLN 50 3.688 23.472 -18.610 295 HE21 GLN 50 HE21 GLN 50 3.449 25.749 -20.253 296 HE22 GLN 50 HE22 GLN 50 2.870 25.227 -21.797 297 H THR 51 H THR 51 -0.571 22.146 -17.526 298 HA THR 51 HA THR 51 -0.662 20.248 -15.318 299 HB THR 51 HB THR 51 -3.112 21.818 -16.152 300 HG1 THR 51 HG1 THR 51 -1.094 22.356 -14.342 301 HG21 THR 51 HG21 THR 51 -4.109 20.813 -14.150 302 HG22 THR 51 HG22 THR 51 -2.603 19.957 -13.820 303 HG23 THR 51 HG23 THR 51 -3.545 19.561 -15.257 304 HA PRO 52 HA PRO 52 -0.733 18.290 -15.013 305 HB2 PRO 52 HB2 PRO 52 0.624 16.123 -15.939 306 HB3 PRO 52 HB3 PRO 52 -1.099 16.081 -15.545 307 HG2 PRO 52 HG2 PRO 52 0.227 16.361 -18.213 308 HG3 PRO 52 HG3 PRO 52 -1.174 15.375 -17.759 309 HD2 PRO 52 HD2 PRO 52 -1.414 17.759 -19.029 310 HD3 PRO 52 HD3 PRO 52 -2.627 17.163 -17.880 311 H CYS 53 H CYS 53 1.093 18.208 -18.072 312 HA CYS 53 HA CYS 53 3.028 20.070 -17.173 313 HB2 CYS 53 HB2 CYS 53 3.807 18.037 -16.012 314 HB3 CYS 53 HB3 CYS 53 3.919 17.208 -17.554 315 H GLY 54 H GLY 54 4.286 20.812 -18.911 316 HA2 GLY 54 HA2 GLY 54 3.288 19.894 -21.511 317 HA3 GLY 54 HA3 GLY 54 4.032 21.454 -21.185 318 H CYS 55 H CYS 55 6.103 19.756 -19.539 319 HA CYS 55 HA CYS 55 8.091 19.768 -21.502 320 HB2 CYS 55 HB2 CYS 55 7.976 18.364 -18.833 321 HB3 CYS 55 HB3 CYS 55 9.427 18.490 -19.816 322 H GLY 56 H GLY 56 6.964 16.874 -19.760 323 HA2 GLY 56 HA2 GLY 56 6.745 14.690 -20.440 324 HA3 GLY 56 HA3 GLY 56 6.282 15.345 -22.005 325 H SER 57 H SER 57 7.574 14.929 -23.663 326 HA SER 57 HA SER 57 10.188 13.748 -23.128 327 HB2 SER 57 HB2 SER 57 8.574 13.888 -25.678 328 HB3 SER 57 HB3 SER 57 10.109 13.037 -25.488 329 HG SER 57 HG SER 57 7.567 12.394 -24.531 330 H GLY 58 H GLY 58 8.997 16.732 -23.630 331 HA2 GLY 58 HA2 GLY 58 11.501 17.650 -24.904 332 HA3 GLY 58 HA3 GLY 58 9.942 18.409 -25.224 333 H CYS 59 H CYS 59 12.174 17.623 -22.634 334 HA CYS 59 HA CYS 59 10.932 19.600 -20.897 335 HB2 CYS 59 HB2 CYS 59 11.286 17.534 -19.854 336 HB3 CYS 59 HB3 CYS 59 12.929 17.400 -20.475 337 H ASN 60 H ASN 60 12.175 21.155 -19.736 338 HA ASN 60 HA ASN 60 14.850 21.792 -20.645 339 HB2 ASN 60 HB2 ASN 60 13.061 22.872 -22.224 340 HB3 ASN 60 HB3 ASN 60 12.804 23.978 -20.882 341 HD21 ASN 60 HD21 ASN 60 14.356 25.520 -20.414 342 HD22 ASN 60 HD22 ASN 60 15.717 25.820 -21.438 343 H CYS 61 H CYS 61 13.623 20.986 -18.141 344 HA CYS 61 HA CYS 61 13.377 23.247 -16.407 345 HB2 CYS 61 HB2 CYS 61 13.627 20.291 -15.990 346 HB3 CYS 61 HB3 CYS 61 13.858 21.368 -14.619 347 H LYS 62 H LYS 62 14.900 22.865 -14.248 348 HA LYS 62 HA LYS 62 17.488 23.784 -15.217 349 HB2 LYS 62 HB2 LYS 62 16.156 23.866 -12.526 350 HB3 LYS 62 HB3 LYS 62 17.807 24.386 -12.775 351 HG2 LYS 62 HG2 LYS 62 15.547 25.566 -14.354 352 HG3 LYS 62 HG3 LYS 62 15.913 26.149 -12.729 353 HD2 LYS 62 HD2 LYS 62 17.839 26.080 -15.071 354 HD3 LYS 62 HD3 LYS 62 16.999 27.513 -14.486 355 HE2 LYS 62 HE2 LYS 62 18.173 27.404 -12.384 356 HE3 LYS 62 HE3 LYS 62 18.912 25.870 -12.824 357 HZ1 LYS 62 HZ1 LYS 62 20.123 26.966 -14.579 358 HZ2 LYS 62 HZ2 LYS 62 20.425 27.742 -13.109 359 HZ3 LYS 62 HZ3 LYS 62 19.375 28.442 -14.226 360 H GLU 63 H GLU 63 16.732 21.962 -12.266 361 HA GLU 63 HA GLU 63 18.203 19.627 -12.921 362 HB2 GLU 63 HB2 GLU 63 20.129 21.183 -12.734 363 HB3 GLU 63 HB3 GLU 63 19.601 21.647 -11.128 364 HG2 GLU 63 HG2 GLU 63 20.919 20.066 -10.298 365 HG3 GLU 63 HG3 GLU 63 19.882 18.857 -11.050 366 H ASP 64 H ASP 64 17.056 21.819 -10.423 367 HA ASP 64 HA ASP 64 16.679 19.713 -8.498 368 HB2 ASP 64 HB2 ASP 64 16.187 22.688 -8.494 369 HB3 ASP 64 HB3 ASP 64 15.856 21.659 -7.118 370 H CYS 65 H CYS 65 15.096 19.033 -10.598 371 HA CYS 65 HA CYS 65 12.377 19.955 -9.891 372 HB2 CYS 65 HB2 CYS 65 12.845 20.264 -12.239 373 HB3 CYS 65 HB3 CYS 65 13.391 18.598 -12.396 374 H ARG 66 H ARG 66 10.797 18.540 -9.261 375 HA ARG 66 HA ARG 66 11.618 15.739 -8.932 376 HB2 ARG 66 HB2 ARG 66 9.817 15.823 -6.990 377 HB3 ARG 66 HB3 ARG 66 11.496 16.236 -6.721 378 HG2 ARG 66 HG2 ARG 66 9.941 17.771 -5.623 379 HG3 ARG 66 HG3 ARG 66 10.983 18.579 -6.787 380 HD2 ARG 66 HD2 ARG 66 8.645 19.376 -6.887 381 HD3 ARG 66 HD3 ARG 66 9.189 18.666 -8.401 382 HE ARG 66 HE ARG 66 7.762 16.881 -6.637 383 HH11 ARG 66 HH11 ARG 66 7.553 19.154 -9.311 384 HH12 ARG 66 HH12 ARG 66 6.063 18.522 -9.917 385 HH21 ARG 66 HH21 ARG 66 5.762 16.028 -7.461 386 HH22 ARG 66 HH22 ARG 66 5.045 16.742 -8.864 387 H CYS 67 H CYS 67 10.094 17.088 -11.051 388 HA CYS 67 HA CYS 67 7.570 15.707 -10.802 389 HB2 CYS 67 HB2 CYS 67 7.620 17.918 -11.861 390 HB3 CYS 67 HB3 CYS 67 8.680 17.280 -13.118 391 H GLN 68 H GLN 68 7.407 13.652 -11.298 392 HA GLN 68 HA GLN 68 9.528 12.304 -12.705 393 HB2 GLN 68 HB2 GLN 68 8.352 10.246 -12.181 394 HB3 GLN 68 HB3 GLN 68 8.471 11.252 -10.750 395 HG2 GLN 68 HG2 GLN 68 6.020 11.883 -12.027 396 HG3 GLN 68 HG3 GLN 68 6.153 10.129 -11.971 397 HE21 GLN 68 HE21 GLN 68 7.586 12.291 -9.640 398 HE22 GLN 68 HE22 GLN 68 6.610 11.831 -8.313 399 H SER 69 H SER 69 7.176 14.125 -13.874 400 HA SER 69 HA SER 69 6.170 12.333 -15.899 401 HB2 SER 69 HB2 SER 69 4.740 14.113 -14.858 402 HB3 SER 69 HB3 SER 69 5.761 15.321 -15.631 403 HG SER 69 HG SER 69 4.257 15.075 -17.120 404 H CYS 70 H CYS 70 8.556 14.879 -15.530 405 HA CYS 70 HA CYS 70 9.247 14.480 -18.338 406 HB2 CYS 70 HB2 CYS 70 10.213 16.767 -18.297 407 HB3 CYS 70 HB3 CYS 70 8.485 16.706 -17.997 408 H SER 71 H SER 71 10.467 14.466 -15.071 409 HA SER 71 HA SER 71 13.221 14.467 -15.663 410 HB2 SER 71 HB2 SER 71 13.496 13.490 -13.408 411 HB3 SER 71 HB3 SER 71 12.328 14.812 -13.381 412 HG SER 71 HG SER 71 10.789 13.481 -12.922 413 H THR 72 H THR 72 14.680 12.739 -15.991 414 HA THR 72 HA THR 72 13.626 10.570 -17.465 415 HB THR 72 HB THR 72 15.971 11.590 -17.737 416 HG1 THR 72 HG1 THR 72 15.515 9.770 -18.899 417 HG21 THR 72 HG21 THR 72 17.767 10.617 -16.435 418 HG22 THR 72 HG22 THR 72 16.626 9.616 -15.543 419 HG23 THR 72 HG23 THR 72 16.613 11.370 -15.329 420 H ALA 73 H ALA 73 13.534 8.401 -17.017 421 HA ALA 73 HA ALA 73 12.625 7.789 -14.443 422 HB1 ALA 73 HB1 ALA 73 11.790 6.668 -16.439 423 HB2 ALA 73 HB2 ALA 73 12.418 5.509 -15.268 424 HB3 ALA 73 HB3 ALA 73 13.371 5.929 -16.690 425 H CYS 74 H CYS 74 13.761 7.494 -12.740 426 HA CYS 74 HA CYS 74 16.468 7.090 -12.354 427 HB2 CYS 74 HB2 CYS 74 14.033 6.333 -10.809 428 HB3 CYS 74 HB3 CYS 74 15.679 5.996 -10.231 429 H LYS 75 H LYS 75 17.513 5.053 -11.668 430 HA LYS 75 HA LYS 75 16.291 2.725 -13.014 431 HB2 LYS 75 HB2 LYS 75 19.149 3.336 -12.368 432 HB3 LYS 75 HB3 LYS 75 18.640 1.675 -12.648 433 HG2 LYS 75 HG2 LYS 75 18.285 3.957 -14.589 434 HG3 LYS 75 HG3 LYS 75 19.541 2.722 -14.675 435 HD2 LYS 75 HD2 LYS 75 17.856 0.986 -14.992 436 HD3 LYS 75 HD3 LYS 75 16.566 2.165 -14.789 437 HE2 LYS 75 HE2 LYS 75 16.874 1.732 -17.151 438 HE3 LYS 75 HE3 LYS 75 17.391 3.378 -16.775 439 HZ1 LYS 75 HZ1 LYS 75 18.969 2.292 -18.237 440 HZ2 LYS 75 HZ2 LYS 75 19.184 1.034 -17.134 441 HZ3 LYS 75 HZ3 LYS 75 19.688 2.595 -16.740 442 H CYS 76 H CYS 76 15.443 3.678 -10.446 443 HA CYS 76 HA CYS 76 16.327 1.805 -8.520 444 HB2 CYS 76 HB2 CYS 76 13.830 3.464 -8.416 445 HB3 CYS 76 HB3 CYS 76 14.778 2.836 -7.067 446 H ALA 77 H ALA 77 15.161 0.160 -7.615 447 HA ALA 77 HA ALA 77 12.748 -0.953 -8.221 448 HB1 ALA 77 HB1 ALA 77 13.457 -1.064 -10.529 449 HB2 ALA 77 HB2 ALA 77 13.419 -2.704 -9.860 450 HB3 ALA 77 HB3 ALA 77 14.960 -1.850 -10.045 451 H ALA 78 H ALA 78 12.529 -2.843 -7.009 452 HA ALA 78 HA ALA 78 13.012 -4.342 -5.382 453 HB1 ALA 78 HB1 ALA 78 15.487 -4.789 -7.048 454 HB2 ALA 78 HB2 ALA 78 13.905 -5.510 -7.345 455 HB3 ALA 78 HB3 ALA 78 14.799 -5.917 -5.881 456 H GLY 79 H GLY 79 13.426 -2.101 -4.228 457 HA2 GLY 79 HA2 GLY 79 14.469 -1.123 -2.427 458 HA3 GLY 79 HA3 GLY 79 15.402 -2.598 -2.272 459 H SER 80 H SER 80 15.375 -0.261 -4.967 460 HA SER 80 HA SER 80 18.210 0.177 -4.429 461 HB2 SER 80 HB2 SER 80 16.684 0.068 -7.003 462 HB3 SER 80 HB3 SER 80 18.311 0.664 -6.928 463 HG SER 80 HG SER 80 17.344 -1.896 -6.797 464 H CYS 81 H CYS 81 15.495 1.695 -3.765 465 HA CYS 81 HA CYS 81 16.275 4.318 -4.798 466 HB2 CYS 81 HB2 CYS 81 13.787 3.143 -4.234 467 HB3 CYS 81 HB3 CYS 81 14.021 4.356 -2.994 468 H LYS 82 H LYS 82 18.186 4.303 -3.491 469 HA LYS 82 HA LYS 82 18.228 3.877 -0.691 470 HB2 LYS 82 HB2 LYS 82 20.504 4.741 -0.827 471 HB3 LYS 82 HB3 LYS 82 20.155 3.497 -2.024 472 HG2 LYS 82 HG2 LYS 82 19.993 5.081 -3.758 473 HG3 LYS 82 HG3 LYS 82 20.007 6.427 -2.615 474 HD2 LYS 82 HD2 LYS 82 22.247 5.876 -1.963 475 HD3 LYS 82 HD3 LYS 82 22.237 4.481 -3.045 476 HE2 LYS 82 HE2 LYS 82 22.001 5.928 -4.977 477 HE3 LYS 82 HE3 LYS 82 21.872 7.344 -3.938 478 HZ1 LYS 82 HZ1 LYS 82 24.266 5.606 -4.204 479 HZ2 LYS 82 HZ2 LYS 82 24.147 6.957 -3.203 480 HZ3 LYS 82 HZ3 LYS 82 24.076 7.140 -4.883 481 H CYS 83 H CYS 83 16.793 6.437 -2.140 482 HA CYS 83 HA CYS 83 17.989 8.657 -0.856 483 HB2 CYS 83 HB2 CYS 83 15.970 9.862 -1.474 484 HB3 CYS 83 HB3 CYS 83 16.520 8.861 -2.817 485 H GLY 84 H GLY 84 15.680 6.260 0.085 486 HA2 GLY 84 HA2 GLY 84 15.586 5.909 2.525 487 HA3 GLY 84 HA3 GLY 84 15.398 7.653 2.658 488 H LYS 85 H LYS 85 13.707 7.438 0.118 489 HA LYS 85 HA LYS 85 11.207 7.134 1.522 490 HB2 LYS 85 HB2 LYS 85 11.736 7.752 -1.392 491 HB3 LYS 85 HB3 LYS 85 10.173 7.851 -0.598 492 HG2 LYS 85 HG2 LYS 85 12.593 9.563 -0.033 493 HG3 LYS 85 HG3 LYS 85 11.113 10.061 -0.850 494 HD2 LYS 85 HD2 LYS 85 11.339 9.168 2.029 495 HD3 LYS 85 HD3 LYS 85 11.154 10.832 1.478 496 HE2 LYS 85 HE2 LYS 85 8.971 10.285 0.528 497 HE3 LYS 85 HE3 LYS 85 9.162 8.605 1.029 498 HZ1 LYS 85 HZ1 LYS 85 7.784 9.821 2.582 499 HZ2 LYS 85 HZ2 LYS 85 9.013 10.948 2.843 500 HZ3 LYS 85 HZ3 LYS 85 9.220 9.351 3.335 501 H GLY 86 H GLY 86 13.157 5.317 -0.706 502 HA2 GLY 86 HA2 GLY 86 13.025 3.119 -1.361 503 HA3 GLY 86 HA3 GLY 86 11.783 2.904 -0.137 504 H CYS 87 H CYS 87 11.602 5.177 -2.810 505 HA CYS 87 HA CYS 87 9.026 4.394 -3.565 506 HB2 CYS 87 HB2 CYS 87 11.101 5.850 -5.200 507 HB3 CYS 87 HB3 CYS 87 9.364 5.839 -5.496 508 H THR 88 H THR 88 12.179 3.660 -4.962 509 HA THR 88 HA THR 88 12.909 2.102 -6.425 510 HB THR 88 HB THR 88 12.020 -0.215 -6.118 511 HG1 THR 88 HG1 THR 88 9.883 1.100 -5.206 512 HG21 THR 88 HG21 THR 88 13.762 0.682 -4.651 513 HG22 THR 88 HG22 THR 88 12.699 -0.417 -3.775 514 HG23 THR 88 HG23 THR 88 12.526 1.325 -3.572 515 H GLY 89 H GLY 89 11.623 3.791 -7.809 516 HA2 GLY 89 HA2 GLY 89 10.878 2.690 -10.142 517 HA3 GLY 89 HA3 GLY 89 9.370 2.714 -9.231 518 HA PRO 90 HA PRO 90 10.783 6.978 -10.938 519 HB2 PRO 90 HB2 PRO 90 9.740 7.020 -13.446 520 HB3 PRO 90 HB3 PRO 90 11.382 6.479 -13.088 521 HG2 PRO 90 HG2 PRO 90 8.941 4.877 -13.663 522 HG3 PRO 90 HG3 PRO 90 10.631 4.567 -14.102 523 HD2 PRO 90 HD2 PRO 90 9.296 3.335 -12.007 524 HD3 PRO 90 HD3 PRO 90 11.056 3.489 -12.129 525 H ASP 91 H ASP 91 7.789 5.215 -11.447 526 HA ASP 91 HA ASP 91 6.165 7.593 -11.495 527 HB2 ASP 91 HB2 ASP 91 5.401 5.607 -12.682 528 HB3 ASP 91 HB3 ASP 91 5.432 4.670 -11.196 529 H SER 92 H SER 92 7.600 5.633 -9.151 530 HA SER 92 HA SER 92 5.695 6.325 -7.087 531 HB2 SER 92 HB2 SER 92 8.239 4.706 -6.903 532 HB3 SER 92 HB3 SER 92 6.960 4.803 -5.691 533 HG SER 92 HG SER 92 6.896 3.590 -8.247 534 H CYS 93 H CYS 93 8.984 6.999 -8.130 535 HA CYS 93 HA CYS 93 9.973 8.289 -5.933 536 HB2 CYS 93 HB2 CYS 93 10.561 8.527 -8.859 537 HB3 CYS 93 HB3 CYS 93 11.322 9.645 -7.730 538 H LYS 94 H LYS 94 8.877 9.766 -4.826 539 HA LYS 94 HA LYS 94 7.633 12.017 -6.227 540 HB2 LYS 94 HB2 LYS 94 7.763 11.421 -3.242 541 HB3 LYS 94 HB3 LYS 94 6.826 12.704 -3.980 542 HG2 LYS 94 HG2 LYS 94 6.247 9.919 -4.855 543 HG3 LYS 94 HG3 LYS 94 5.754 10.370 -3.225 544 HD2 LYS 94 HD2 LYS 94 3.845 10.825 -4.535 545 HD3 LYS 94 HD3 LYS 94 4.612 12.407 -4.381 546 HE2 LYS 94 HE2 LYS 94 3.884 11.993 -6.682 547 HE3 LYS 94 HE3 LYS 94 5.637 12.128 -6.587 548 HZ1 LYS 94 HZ1 LYS 94 5.769 9.690 -6.626 549 HZ2 LYS 94 HZ2 LYS 94 4.987 10.277 -8.010 550 HZ3 LYS 94 HZ3 LYS 94 4.089 9.594 -6.753 551 H CYS 95 H CYS 95 10.608 11.263 -5.777 552 HA CYS 95 HA CYS 95 11.605 13.611 -4.364 553 HB2 CYS 95 HB2 CYS 95 13.839 12.349 -4.721 554 HB3 CYS 95 HB3 CYS 95 12.685 11.700 -3.565 555 H ASP 96 H ASP 96 13.583 14.698 -5.307 556 HA ASP 96 HA ASP 96 13.042 15.386 -8.063 557 HB2 ASP 96 HB2 ASP 96 14.599 17.236 -7.724 558 HB3 ASP 96 HB3 ASP 96 13.337 17.214 -6.506 559 H ARG 97 H ARG 97 14.792 15.804 -9.553 560 HA ARG 97 HA ARG 97 16.320 13.385 -9.840 561 HB2 ARG 97 HB2 ARG 97 17.257 14.508 -11.909 562 HB3 ARG 97 HB3 ARG 97 15.529 14.191 -11.893 563 HG2 ARG 97 HG2 ARG 97 15.036 16.477 -11.576 564 HG3 ARG 97 HG3 ARG 97 16.712 16.854 -11.174 565 HD2 ARG 97 HD2 ARG 97 16.105 15.674 -13.855 566 HD3 ARG 97 HD3 ARG 97 15.733 17.374 -13.573 567 HE ARG 97 HE ARG 97 18.417 16.581 -12.839 568 HH11 ARG 97 HH11 ARG 97 16.360 17.740 -15.443 569 HH12 ARG 97 HH12 ARG 97 17.627 18.581 -16.260 570 HH21 ARG 97 HH21 ARG 97 20.130 17.724 -13.929 571 HH22 ARG 97 HH22 ARG 97 19.774 18.557 -15.399 572 H SER 98 H SER 98 16.937 16.015 -8.040 573 HA SER 98 HA SER 98 19.838 15.726 -8.364 574 HB2 SER 98 HB2 SER 98 18.867 18.026 -8.648 575 HB3 SER 98 HB3 SER 98 18.288 17.946 -6.986 576 HG SER 98 HG SER 98 20.993 17.828 -7.856 577 H CYS 99 H CYS 99 17.762 14.040 -6.989 578 HA CYS 99 HA CYS 99 18.141 14.430 -4.170 579 HB2 CYS 99 HB2 CYS 99 16.053 13.496 -5.258 580 HB3 CYS 99 HB3 CYS 99 16.968 12.027 -5.568 581 H SER 100 H SER 100 18.647 12.226 -2.964 582 HA SER 100 HA SER 100 21.394 11.807 -3.356 583 HB2 SER 100 HB2 SER 100 19.457 10.212 -1.695 584 HB3 SER 100 HB3 SER 100 21.216 10.220 -1.516 585 HG SER 100 HG SER 100 20.538 12.718 -1.449 586 H CYS 101 H CYS 101 18.605 10.107 -4.477 587 HA CYS 101 HA CYS 101 20.309 8.032 -5.654 588 HB2 CYS 101 HB2 CYS 101 18.285 6.851 -6.147 589 HB3 CYS 101 HB3 CYS 101 18.085 7.467 -4.508 590 H LYS 102 H LYS 102 17.822 10.328 -6.346 591 HA LYS 102 HA LYS 102 18.445 11.770 -8.399 592 HB2 LYS 102 HB2 LYS 102 18.919 9.398 -9.319 593 HB3 LYS 102 HB3 LYS 102 17.227 9.642 -9.808 594 HG2 LYS 102 HG2 LYS 102 17.867 11.897 -10.445 595 HG3 LYS 102 HG3 LYS 102 19.543 11.371 -10.250 596 HD2 LYS 102 HD2 LYS 102 18.807 11.305 -12.478 597 HD3 LYS 102 HD3 LYS 102 19.215 9.714 -11.837 598 HE2 LYS 102 HE2 LYS 102 17.146 9.777 -13.243 599 HE3 LYS 102 HE3 LYS 102 16.915 9.113 -11.633 600 HZ1 LYS 102 HZ1 LYS 102 16.269 11.907 -12.413 601 HZ2 LYS 102 HZ2 LYS 102 15.937 11.171 -10.914 602 HZ3 LYS 102 HZ3 LYS 102 15.144 10.645 -12.311 Start of MODEL 14 1 HA2 GLY 1 HA2 GLY 1 26.076 10.718 7.918 2 HA3 GLY 1 HA3 GLY 1 27.293 10.598 6.658 3 H SER 2 H SER 2 24.340 9.606 5.461 4 HA SER 2 HA SER 2 24.029 12.165 4.095 5 HB2 SER 2 HB2 SER 2 24.292 10.050 2.759 6 HB3 SER 2 HB3 SER 2 22.749 9.510 3.415 7 HG SER 2 HG SER 2 23.105 11.932 1.973 8 H MET 3 H MET 3 22.429 13.489 4.595 9 HA MET 3 HA MET 3 20.064 12.368 5.927 10 HB2 MET 3 HB2 MET 3 21.466 13.689 7.492 11 HB3 MET 3 HB3 MET 3 21.279 15.088 6.443 12 HG2 MET 3 HG2 MET 3 19.777 15.141 8.386 13 HG3 MET 3 HG3 MET 3 18.909 15.140 6.851 14 HE1 MET 3 HE1 MET 3 16.680 14.511 8.212 15 HE2 MET 3 HE2 MET 3 17.593 14.468 9.720 16 HE3 MET 3 HE3 MET 3 16.557 13.112 9.279 17 H SER 4 H SER 4 18.679 12.275 4.282 18 HA SER 4 HA SER 4 18.513 14.443 2.371 19 HB2 SER 4 HB2 SER 4 16.862 12.908 1.268 20 HB3 SER 4 HB3 SER 4 18.482 12.232 1.458 21 HG SER 4 HG SER 4 16.380 11.805 3.313 22 H SER 5 H SER 5 17.234 16.102 2.757 23 HA SER 5 HA SER 5 14.555 15.614 3.788 24 HB2 SER 5 HB2 SER 5 14.808 17.787 5.129 25 HB3 SER 5 HB3 SER 5 15.624 16.361 5.768 26 HG SER 5 HG SER 5 17.145 17.873 5.837 27 H VAL 6 H VAL 6 13.277 17.819 3.522 28 HA VAL 6 HA VAL 6 14.139 19.089 1.028 29 HB VAL 6 HB VAL 6 12.532 17.358 0.386 30 HG11 VAL 6 HG11 VAL 6 10.197 17.453 1.093 31 HG12 VAL 6 HG12 VAL 6 10.578 18.786 2.181 32 HG13 VAL 6 HG13 VAL 6 11.273 17.188 2.466 33 HG21 VAL 6 HG21 VAL 6 11.385 20.138 0.168 34 HG22 VAL 6 HG22 VAL 6 10.948 18.759 -0.841 35 HG23 VAL 6 HG23 VAL 6 12.583 19.417 -0.907 36 H PHE 7 H PHE 7 12.172 19.279 3.940 37 HA PHE 7 HA PHE 7 11.431 22.005 3.363 38 HB2 PHE 7 HB2 PHE 7 10.999 20.343 5.849 39 HB3 PHE 7 HB3 PHE 7 10.327 21.948 5.575 40 HD1 PHE 7 HD1 PHE 7 9.689 18.515 5.368 41 HD2 PHE 7 HD2 PHE 7 8.964 22.169 3.310 42 HE1 PHE 7 HE1 PHE 7 7.759 17.491 4.236 43 HE2 PHE 7 HE2 PHE 7 7.032 21.153 2.178 44 HZ PHE 7 HZ PHE 7 6.428 18.811 2.640 45 H GLY 8 H GLY 8 12.007 23.785 4.631 46 HA2 GLY 8 HA2 GLY 8 14.709 23.918 5.333 47 HA3 GLY 8 HA3 GLY 8 13.486 25.146 5.641 48 H ALA 9 H ALA 9 15.304 24.853 7.438 49 HA ALA 9 HA ALA 9 14.779 22.854 9.419 50 HB1 ALA 9 HB1 ALA 9 16.996 23.775 9.088 51 HB2 ALA 9 HB2 ALA 9 16.446 24.039 10.746 52 HB3 ALA 9 HB3 ALA 9 16.419 25.365 9.578 53 H GLY 10 H GLY 10 13.676 26.026 8.762 54 HA2 GLY 10 HA2 GLY 10 12.101 25.960 11.243 55 HA3 GLY 10 HA3 GLY 10 12.713 27.450 10.537 56 H CYS 11 H CYS 11 11.347 24.723 8.753 57 HA CYS 11 HA CYS 11 9.678 26.485 7.368 58 HB2 CYS 11 HB2 CYS 11 10.288 23.636 7.248 59 HB3 CYS 11 HB3 CYS 11 8.654 24.054 6.735 60 H THR 12 H THR 12 7.292 26.142 7.155 61 HA THR 12 HA THR 12 6.139 25.762 9.802 62 HB THR 12 HB THR 12 4.204 27.019 8.742 63 HG1 THR 12 HG1 THR 12 5.906 28.093 6.853 64 HG21 THR 12 HG21 THR 12 5.251 29.150 9.051 65 HG22 THR 12 HG22 THR 12 6.839 28.472 8.734 66 HG23 THR 12 HG23 THR 12 5.972 28.031 10.214 67 H ASP 13 H ASP 13 3.954 24.803 9.843 68 HA ASP 13 HA ASP 13 3.903 22.299 8.554 69 HB2 ASP 13 HB2 ASP 13 2.827 22.658 10.711 70 HB3 ASP 13 HB3 ASP 13 1.685 23.774 9.976 71 H VAL 14 H VAL 14 2.675 25.400 7.688 72 HA VAL 14 HA VAL 14 0.650 24.585 5.905 73 HB VAL 14 HB VAL 14 0.935 26.928 6.831 74 HG11 VAL 14 HG11 VAL 14 2.332 28.493 5.577 75 HG12 VAL 14 HG12 VAL 14 3.010 27.141 4.669 76 HG13 VAL 14 HG13 VAL 14 3.285 27.262 6.409 77 HG21 VAL 14 HG21 VAL 14 0.586 26.626 3.858 78 HG22 VAL 14 HG22 VAL 14 0.137 28.055 4.788 79 HG23 VAL 14 HG23 VAL 14 -0.672 26.520 5.092 80 H CYS 15 H CYS 15 4.094 24.731 5.668 81 HA CYS 15 HA CYS 15 4.173 24.664 2.788 82 HB2 CYS 15 HB2 CYS 15 5.917 25.730 4.273 83 HB3 CYS 15 HB3 CYS 15 6.388 24.115 4.771 84 H LYS 16 H LYS 16 4.175 22.436 5.462 85 HA LYS 16 HA LYS 16 5.032 20.174 3.878 86 HB2 LYS 16 HB2 LYS 16 3.952 20.223 6.690 87 HB3 LYS 16 HB3 LYS 16 4.857 18.919 5.926 88 HG2 LYS 16 HG2 LYS 16 6.829 20.227 5.851 89 HG3 LYS 16 HG3 LYS 16 5.956 21.674 6.348 90 HD2 LYS 16 HD2 LYS 16 5.370 20.261 8.445 91 HD3 LYS 16 HD3 LYS 16 6.785 19.310 7.964 92 HE2 LYS 16 HE2 LYS 16 8.095 21.402 7.870 93 HE3 LYS 16 HE3 LYS 16 6.675 22.272 8.446 94 HZ1 LYS 16 HZ1 LYS 16 6.756 20.997 10.497 95 HZ2 LYS 16 HZ2 LYS 16 8.233 21.768 10.247 96 HZ3 LYS 16 HZ3 LYS 16 8.086 20.114 9.938 97 H GLN 17 H GLN 17 2.232 21.833 4.173 98 HA GLN 17 HA GLN 17 0.289 19.773 4.293 99 HB2 GLN 17 HB2 GLN 17 0.154 22.514 3.034 100 HB3 GLN 17 HB3 GLN 17 -1.214 21.418 3.084 101 HG2 GLN 17 HG2 GLN 17 -0.911 21.403 5.605 102 HG3 GLN 17 HG3 GLN 17 0.176 22.769 5.363 103 HE21 GLN 17 HE21 GLN 17 -0.678 24.699 4.537 104 HE22 GLN 17 HE22 GLN 17 -2.363 25.070 4.651 105 H THR 18 H THR 18 -1.287 19.777 2.204 106 HA THR 18 HA THR 18 0.178 19.345 -0.234 107 HB THR 18 HB THR 18 -1.185 16.996 1.126 108 HG1 THR 18 HG1 THR 18 1.344 17.931 1.185 109 HG21 THR 18 HG21 THR 18 -0.429 15.696 -0.819 110 HG22 THR 18 HG22 THR 18 0.213 17.164 -1.555 111 HG23 THR 18 HG23 THR 18 -1.525 16.987 -1.312 112 HA PRO 19 HA PRO 19 -0.042 19.888 -2.115 113 HB2 PRO 19 HB2 PRO 19 -0.664 22.181 -3.395 114 HB3 PRO 19 HB3 PRO 19 -1.204 20.601 -3.975 115 HG2 PRO 19 HG2 PRO 19 -2.699 22.653 -2.398 116 HG3 PRO 19 HG3 PRO 19 -3.251 21.677 -3.771 117 HD2 PRO 19 HD2 PRO 19 -3.844 21.071 -1.186 118 HD3 PRO 19 HD3 PRO 19 -3.684 19.844 -2.456 119 H CYS 20 H CYS 20 1.503 21.736 -2.194 120 HA CYS 20 HA CYS 20 2.207 22.629 0.308 121 HB2 CYS 20 HB2 CYS 20 3.670 22.577 -1.694 122 HB3 CYS 20 HB3 CYS 20 2.825 23.997 -2.299 123 H GLY 21 H GLY 21 1.294 23.956 1.639 124 HA2 GLY 21 HA2 GLY 21 -0.830 25.661 0.789 125 HA3 GLY 21 HA3 GLY 21 -0.249 25.424 2.431 126 H CYS 22 H CYS 22 2.524 26.099 0.971 127 HA CYS 22 HA CYS 22 2.549 28.808 1.823 128 HB2 CYS 22 HB2 CYS 22 4.526 27.111 0.336 129 HB3 CYS 22 HB3 CYS 22 4.817 28.823 0.631 130 H ALA 23 H ALA 23 1.602 27.341 -1.086 131 HA ALA 23 HA ALA 23 1.978 29.839 -2.557 132 HB1 ALA 23 HB1 ALA 23 1.134 27.125 -3.560 133 HB2 ALA 23 HB2 ALA 23 2.764 27.793 -3.645 134 HB3 ALA 23 HB3 ALA 23 1.453 28.544 -4.559 135 H THR 24 H THR 24 -0.375 28.039 -0.921 136 HA THR 24 HA THR 24 -2.570 29.332 -2.329 137 HB THR 24 HB THR 24 -3.936 27.740 -0.932 138 HG1 THR 24 HG1 THR 24 -2.862 26.199 0.241 139 HG21 THR 24 HG21 THR 24 -1.807 26.570 -2.707 140 HG22 THR 24 HG22 THR 24 -3.341 27.251 -3.255 141 HG23 THR 24 HG23 THR 24 -3.324 25.776 -2.280 142 H SER 25 H SER 25 -1.131 28.933 0.843 143 HA SER 25 HA SER 25 -3.014 30.838 2.004 144 HB2 SER 25 HB2 SER 25 -2.670 28.689 3.186 145 HB3 SER 25 HB3 SER 25 -0.955 29.051 3.319 146 HG SER 25 HG SER 25 -3.124 30.404 4.539 147 H GLY 26 H GLY 26 0.481 30.281 1.607 148 HA2 GLY 26 HA2 GLY 26 1.500 32.612 1.117 149 HA3 GLY 26 HA3 GLY 26 0.984 32.899 2.773 150 H CYS 27 H CYS 27 3.620 32.990 1.842 151 HA CYS 27 HA CYS 27 4.917 30.547 2.673 152 HB2 CYS 27 HB2 CYS 27 5.507 32.799 1.049 153 HB3 CYS 27 HB3 CYS 27 6.799 32.569 2.225 154 H ASN 28 H ASN 28 5.567 30.158 4.673 155 HA ASN 28 HA ASN 28 6.157 32.443 6.442 156 HB2 ASN 28 HB2 ASN 28 4.966 29.779 7.236 157 HB3 ASN 28 HB3 ASN 28 5.308 31.124 8.316 158 HD21 ASN 28 HD21 ASN 28 2.854 29.643 7.646 159 HD22 ASN 28 HD22 ASN 28 1.697 30.836 7.171 160 H CYS 29 H CYS 29 7.574 30.079 4.722 161 HA CYS 29 HA CYS 29 9.266 28.951 6.781 162 HB2 CYS 29 HB2 CYS 29 10.207 27.636 4.930 163 HB3 CYS 29 HB3 CYS 29 8.454 27.503 5.005 164 H THR 30 H THR 30 11.674 28.754 6.028 165 HA THR 30 HA THR 30 12.625 31.479 5.592 166 HB THR 30 HB THR 30 14.820 30.506 6.441 167 HG1 THR 30 HG1 THR 30 14.300 28.521 7.776 168 HG21 THR 30 HG21 THR 30 13.286 31.817 7.866 169 HG22 THR 30 HG22 THR 30 14.128 30.561 8.774 170 HG23 THR 30 HG23 THR 30 12.445 30.327 8.300 171 H ASP 31 H ASP 31 14.942 31.422 4.525 172 HA ASP 31 HA ASP 31 14.573 30.633 1.825 173 HB2 ASP 31 HB2 ASP 31 15.893 32.610 2.482 174 HB3 ASP 31 HB3 ASP 31 17.094 31.559 3.222 175 H ASP 32 H ASP 32 15.741 28.983 4.533 176 HA ASP 32 HA ASP 32 17.603 27.200 3.347 177 HB2 ASP 32 HB2 ASP 32 17.477 27.606 5.777 178 HB3 ASP 32 HB3 ASP 32 15.889 26.854 5.823 179 H CYS 33 H CYS 33 14.263 27.467 3.076 180 HA CYS 33 HA CYS 33 13.353 24.843 2.887 181 HB2 CYS 33 HB2 CYS 33 11.838 26.771 2.998 182 HB3 CYS 33 HB3 CYS 33 12.419 27.324 1.433 183 H LYS 34 H LYS 34 13.570 23.276 1.397 184 HA LYS 34 HA LYS 34 14.856 23.919 -1.182 185 HB2 LYS 34 HB2 LYS 34 14.820 21.354 0.414 186 HB3 LYS 34 HB3 LYS 34 15.503 21.485 -1.200 187 HG2 LYS 34 HG2 LYS 34 17.044 23.273 -0.153 188 HG3 LYS 34 HG3 LYS 34 16.510 22.605 1.392 189 HD2 LYS 34 HD2 LYS 34 17.872 21.074 -0.848 190 HD3 LYS 34 HD3 LYS 34 18.601 21.531 0.691 191 HE2 LYS 34 HE2 LYS 34 17.182 20.059 1.892 192 HE3 LYS 34 HE3 LYS 34 16.154 19.795 0.486 193 HZ1 LYS 34 HZ1 LYS 34 17.912 18.622 -0.592 194 HZ2 LYS 34 HZ2 LYS 34 17.679 17.944 0.940 195 HZ3 LYS 34 HZ3 LYS 34 18.995 18.967 0.657 196 H CYS 35 H CYS 35 11.997 24.156 -0.661 197 HA CYS 35 HA CYS 35 10.882 21.763 -1.905 198 HB2 CYS 35 HB2 CYS 35 9.834 22.560 0.145 199 HB3 CYS 35 HB3 CYS 35 9.518 24.119 -0.599 200 H GLN 36 H GLN 36 10.250 21.684 -3.979 201 HA GLN 36 HA GLN 36 10.626 23.966 -5.677 202 HB2 GLN 36 HB2 GLN 36 9.992 22.469 -7.528 203 HB3 GLN 36 HB3 GLN 36 11.271 21.813 -6.528 204 HG2 GLN 36 HG2 GLN 36 9.988 19.943 -6.873 205 HG3 GLN 36 HG3 GLN 36 9.298 20.525 -5.362 206 HE21 GLN 36 HE21 GLN 36 8.843 20.351 -8.816 207 HE22 GLN 36 HE22 GLN 36 7.127 20.537 -8.807 208 H SER 37 H SER 37 8.090 23.122 -3.781 209 HA SER 37 HA SER 37 6.007 23.695 -5.669 210 HB2 SER 37 HB2 SER 37 5.830 23.280 -2.690 211 HB3 SER 37 HB3 SER 37 4.491 23.248 -3.841 212 HG SER 37 HG SER 37 6.063 21.567 -4.881 213 H CYS 38 H CYS 38 7.749 25.508 -3.197 214 HA CYS 38 HA CYS 38 6.059 27.772 -3.953 215 HB2 CYS 38 HB2 CYS 38 6.742 28.780 -1.741 216 HB3 CYS 38 HB3 CYS 38 5.671 27.386 -1.652 217 H LYS 39 H LYS 39 9.123 26.454 -4.160 218 HA LYS 39 HA LYS 39 10.318 29.089 -4.657 219 HB2 LYS 39 HB2 LYS 39 11.445 26.550 -3.604 220 HB3 LYS 39 HB3 LYS 39 12.485 27.504 -4.648 221 HG2 LYS 39 HG2 LYS 39 12.835 27.976 -2.257 222 HG3 LYS 39 HG3 LYS 39 12.313 29.400 -3.158 223 HD2 LYS 39 HD2 LYS 39 10.079 29.166 -2.330 224 HD3 LYS 39 HD3 LYS 39 10.470 27.623 -1.590 225 HE2 LYS 39 HE2 LYS 39 12.010 28.731 -0.076 226 HE3 LYS 39 HE3 LYS 39 11.623 30.288 -0.812 227 HZ1 LYS 39 HZ1 LYS 39 10.378 29.911 1.242 228 HZ2 LYS 39 HZ2 LYS 39 9.677 28.522 0.591 229 HZ3 LYS 39 HZ3 LYS 39 9.340 30.035 -0.083 230 H TYR 40 H TYR 40 8.636 28.010 -6.620 231 HA TYR 40 HA TYR 40 9.976 26.603 -8.629 232 HB2 TYR 40 HB2 TYR 40 7.739 28.627 -8.788 233 HB3 TYR 40 HB3 TYR 40 8.403 27.856 -10.224 234 HD1 TYR 40 HD1 TYR 40 6.017 27.594 -7.605 235 HD2 TYR 40 HD2 TYR 40 8.370 25.277 -10.282 236 HE1 TYR 40 HE1 TYR 40 4.483 25.694 -7.300 237 HE2 TYR 40 HE2 TYR 40 6.846 23.368 -9.984 238 HH TYR 40 HH TYR 40 3.805 23.667 -8.520 239 H GLY 41 H GLY 41 11.250 27.207 -10.309 240 HA2 GLY 41 HA2 GLY 41 12.189 29.106 -11.616 241 HA3 GLY 41 HA3 GLY 41 12.443 29.891 -10.062 242 H ALA 42 H ALA 42 13.009 26.970 -9.142 243 HA ALA 42 HA ALA 42 15.780 26.859 -10.126 244 HB1 ALA 42 HB1 ALA 42 14.874 26.414 -7.284 245 HB2 ALA 42 HB2 ALA 42 15.726 27.837 -7.884 246 HB3 ALA 42 HB3 ALA 42 16.527 26.266 -7.882 247 H GLY 43 H GLY 43 13.067 25.268 -10.481 248 HA2 GLY 43 HA2 GLY 43 14.399 22.671 -10.397 249 HA3 GLY 43 HA3 GLY 43 12.893 22.827 -9.524 250 H CYS 44 H CYS 44 11.761 24.545 -11.593 251 HA CYS 44 HA CYS 44 11.027 22.370 -13.452 252 HB2 CYS 44 HB2 CYS 44 9.340 24.444 -12.092 253 HB3 CYS 44 HB3 CYS 44 8.786 23.648 -13.558 254 H THR 45 H THR 45 9.421 23.582 -15.200 255 HA THR 45 HA THR 45 10.607 25.966 -16.259 256 HB THR 45 HB THR 45 12.045 24.142 -17.176 257 HG1 THR 45 HG1 THR 45 11.709 26.000 -18.440 258 HG21 THR 45 HG21 THR 45 10.495 22.304 -17.236 259 HG22 THR 45 HG22 THR 45 11.025 22.623 -18.889 260 HG23 THR 45 HG23 THR 45 9.438 23.169 -18.345 261 H ASP 46 H ASP 46 9.398 26.362 -18.461 262 HA ASP 46 HA ASP 46 6.656 26.683 -17.794 263 HB2 ASP 46 HB2 ASP 46 7.988 28.252 -19.202 264 HB3 ASP 46 HB3 ASP 46 8.006 27.046 -20.477 265 H THR 47 H THR 47 8.275 24.097 -19.208 266 HA THR 47 HA THR 47 6.047 23.208 -20.839 267 HB THR 47 HB THR 47 8.659 21.775 -20.450 268 HG1 THR 47 HG1 THR 47 8.322 24.268 -21.363 269 HG21 THR 47 HG21 THR 47 6.746 22.012 -22.783 270 HG22 THR 47 HG22 THR 47 6.901 20.616 -21.715 271 HG23 THR 47 HG23 THR 47 8.238 21.072 -22.770 272 H CYS 48 H CYS 48 7.227 22.711 -17.685 273 HA CYS 48 HA CYS 48 6.249 19.960 -17.495 274 HB2 CYS 48 HB2 CYS 48 8.350 20.387 -16.377 275 HB3 CYS 48 HB3 CYS 48 7.645 21.716 -15.466 276 H LYS 49 H LYS 49 5.293 23.157 -16.698 277 HA LYS 49 HA LYS 49 3.465 22.543 -14.620 278 HB2 LYS 49 HB2 LYS 49 2.711 24.811 -14.881 279 HB3 LYS 49 HB3 LYS 49 4.470 24.722 -14.885 280 HG2 LYS 49 HG2 LYS 49 4.418 24.787 -17.340 281 HG3 LYS 49 HG3 LYS 49 2.672 25.031 -17.253 282 HD2 LYS 49 HD2 LYS 49 3.146 27.010 -15.798 283 HD3 LYS 49 HD3 LYS 49 4.850 26.800 -16.237 284 HE2 LYS 49 HE2 LYS 49 4.318 27.014 -18.551 285 HE3 LYS 49 HE3 LYS 49 2.599 27.112 -18.174 286 HZ1 LYS 49 HZ1 LYS 49 2.930 29.197 -17.093 287 HZ2 LYS 49 HZ2 LYS 49 3.669 29.297 -18.611 288 HZ3 LYS 49 HZ3 LYS 49 4.610 29.077 -17.231 289 H GLN 50 H GLN 50 3.280 21.648 -17.745 290 HA GLN 50 HA GLN 50 0.547 22.278 -18.311 291 HB2 GLN 50 HB2 GLN 50 2.147 20.091 -19.598 292 HB3 GLN 50 HB3 GLN 50 0.808 21.005 -20.278 293 HG2 GLN 50 HG2 GLN 50 2.386 23.034 -19.943 294 HG3 GLN 50 HG3 GLN 50 3.645 21.801 -19.888 295 HE21 GLN 50 HE21 GLN 50 3.420 23.793 -21.780 296 HE22 GLN 50 HE22 GLN 50 3.132 23.064 -23.320 297 H THR 51 H THR 51 -0.521 19.911 -19.198 298 HA THR 51 HA THR 51 -0.437 18.032 -16.977 299 HB THR 51 HB THR 51 -3.068 19.115 -18.012 300 HG1 THR 51 HG1 THR 51 -1.327 20.145 -16.180 301 HG21 THR 51 HG21 THR 51 -2.334 17.355 -15.669 302 HG22 THR 51 HG22 THR 51 -3.211 16.863 -17.120 303 HG23 THR 51 HG23 THR 51 -3.946 17.991 -15.982 304 HA PRO 52 HA PRO 52 -0.577 16.028 -16.542 305 HB2 PRO 52 HB2 PRO 52 1.127 13.985 -17.153 306 HB3 PRO 52 HB3 PRO 52 -0.622 13.771 -17.018 307 HG2 PRO 52 HG2 PRO 52 1.067 14.118 -19.465 308 HG3 PRO 52 HG3 PRO 52 -0.288 13.009 -19.188 309 HD2 PRO 52 HD2 PRO 52 -0.561 15.303 -20.583 310 HD3 PRO 52 HD3 PRO 52 -1.867 14.641 -19.579 311 H CYS 53 H CYS 53 1.637 16.200 -19.284 312 HA CYS 53 HA CYS 53 3.235 18.207 -18.098 313 HB2 CYS 53 HB2 CYS 53 4.040 16.149 -16.921 314 HB3 CYS 53 HB3 CYS 53 4.532 15.506 -18.480 315 H GLY 54 H GLY 54 4.560 19.171 -19.666 316 HA2 GLY 54 HA2 GLY 54 4.030 18.187 -22.369 317 HA3 GLY 54 HA3 GLY 54 4.531 19.821 -21.947 318 H CYS 55 H CYS 55 6.554 18.365 -20.062 319 HA CYS 55 HA CYS 55 8.753 18.585 -21.803 320 HB2 CYS 55 HB2 CYS 55 8.491 17.341 -19.067 321 HB3 CYS 55 HB3 CYS 55 10.025 17.556 -19.898 322 H GLY 56 H GLY 56 7.810 15.671 -19.994 323 HA2 GLY 56 HA2 GLY 56 7.957 13.440 -20.527 324 HA3 GLY 56 HA3 GLY 56 7.644 13.928 -22.187 325 H SER 57 H SER 57 9.192 13.511 -23.606 326 HA SER 57 HA SER 57 11.837 12.773 -22.647 327 HB2 SER 57 HB2 SER 57 10.683 12.625 -25.442 328 HB3 SER 57 HB3 SER 57 12.192 11.892 -24.894 329 HG SER 57 HG SER 57 10.278 11.097 -23.245 330 H GLY 58 H GLY 58 10.311 15.515 -23.596 331 HA2 GLY 58 HA2 GLY 58 12.827 16.749 -24.529 332 HA3 GLY 58 HA3 GLY 58 11.243 17.237 -25.134 333 H CYS 59 H CYS 59 13.247 17.055 -22.292 334 HA CYS 59 HA CYS 59 11.452 18.823 -20.829 335 HB2 CYS 59 HB2 CYS 59 11.997 16.938 -19.588 336 HB3 CYS 59 HB3 CYS 59 13.692 16.997 -20.049 337 H ASN 60 H ASN 60 12.285 20.573 -19.577 338 HA ASN 60 HA ASN 60 14.849 21.718 -20.367 339 HB2 ASN 60 HB2 ASN 60 13.145 22.571 -21.994 340 HB3 ASN 60 HB3 ASN 60 12.226 23.231 -20.653 341 HD21 ASN 60 HD21 ASN 60 12.772 25.184 -19.854 342 HD22 ASN 60 HD22 ASN 60 14.087 26.150 -20.432 343 H CYS 61 H CYS 61 13.456 20.573 -17.904 344 HA CYS 61 HA CYS 61 12.965 22.751 -16.120 345 HB2 CYS 61 HB2 CYS 61 13.182 19.799 -15.819 346 HB3 CYS 61 HB3 CYS 61 13.309 20.800 -14.376 347 H LYS 62 H LYS 62 14.167 22.486 -13.839 348 HA LYS 62 HA LYS 62 16.869 23.404 -14.457 349 HB2 LYS 62 HB2 LYS 62 15.125 23.610 -12.009 350 HB3 LYS 62 HB3 LYS 62 16.771 24.185 -12.028 351 HG2 LYS 62 HG2 LYS 62 14.679 25.203 -13.946 352 HG3 LYS 62 HG3 LYS 62 14.948 25.917 -12.360 353 HD2 LYS 62 HD2 LYS 62 17.043 25.684 -14.542 354 HD3 LYS 62 HD3 LYS 62 16.117 27.139 -14.185 355 HE2 LYS 62 HE2 LYS 62 17.075 27.155 -11.918 356 HE3 LYS 62 HE3 LYS 62 18.031 25.734 -12.325 357 HZ1 LYS 62 HZ1 LYS 62 19.100 27.019 -14.075 358 HZ2 LYS 62 HZ2 LYS 62 19.347 27.728 -12.565 359 HZ3 LYS 62 HZ3 LYS 62 18.216 28.386 -13.636 360 H GLU 63 H GLU 63 15.612 21.731 -11.578 361 HA GLU 63 HA GLU 63 17.138 19.358 -11.933 362 HB2 GLU 63 HB2 GLU 63 18.919 21.080 -11.328 363 HB3 GLU 63 HB3 GLU 63 18.141 21.212 -9.759 364 HG2 GLU 63 HG2 GLU 63 19.840 19.723 -9.332 365 HG3 GLU 63 HG3 GLU 63 18.484 18.646 -9.659 366 H ASP 64 H ASP 64 15.815 21.577 -9.524 367 HA ASP 64 HA ASP 64 14.949 19.516 -7.682 368 HB2 ASP 64 HB2 ASP 64 15.524 22.184 -7.446 369 HB3 ASP 64 HB3 ASP 64 13.774 22.227 -7.528 370 H CYS 65 H CYS 65 13.888 18.695 -9.879 371 HA CYS 65 HA CYS 65 11.056 19.503 -9.799 372 HB2 CYS 65 HB2 CYS 65 12.069 19.673 -12.010 373 HB3 CYS 65 HB3 CYS 65 12.590 17.995 -11.924 374 H ARG 66 H ARG 66 9.666 18.174 -8.770 375 HA ARG 66 HA ARG 66 10.515 15.513 -7.969 376 HB2 ARG 66 HB2 ARG 66 7.980 17.047 -7.379 377 HB3 ARG 66 HB3 ARG 66 8.284 15.418 -6.810 378 HG2 ARG 66 HG2 ARG 66 10.318 16.334 -5.635 379 HG3 ARG 66 HG3 ARG 66 9.716 17.944 -6.042 380 HD2 ARG 66 HD2 ARG 66 7.510 17.168 -4.946 381 HD3 ARG 66 HD3 ARG 66 8.472 15.865 -4.257 382 HE ARG 66 HE ARG 66 9.789 17.522 -3.117 383 HH11 ARG 66 HH11 ARG 66 6.806 18.697 -4.575 384 HH12 ARG 66 HH12 ARG 66 6.666 20.062 -3.522 385 HH21 ARG 66 HH21 ARG 66 9.603 19.332 -1.717 386 HH22 ARG 66 HH22 ARG 66 8.264 20.420 -1.871 387 H CYS 67 H CYS 67 9.651 16.395 -10.823 388 HA CYS 67 HA CYS 67 7.477 14.493 -11.179 389 HB2 CYS 67 HB2 CYS 67 7.437 16.803 -12.218 390 HB3 CYS 67 HB3 CYS 67 8.668 16.211 -13.325 391 H GLN 68 H GLN 68 7.941 12.537 -11.558 392 HA GLN 68 HA GLN 68 10.504 11.719 -12.602 393 HB2 GLN 68 HB2 GLN 68 9.656 9.428 -12.235 394 HB3 GLN 68 HB3 GLN 68 9.554 10.422 -10.792 395 HG2 GLN 68 HG2 GLN 68 7.218 10.014 -12.635 396 HG3 GLN 68 HG3 GLN 68 7.566 8.917 -11.302 397 HE21 GLN 68 HE21 GLN 68 8.482 11.092 -9.573 398 HE22 GLN 68 HE22 GLN 68 7.055 11.938 -9.100 399 H SER 69 H SER 69 7.951 12.953 -14.116 400 HA SER 69 HA SER 69 7.566 10.958 -16.154 401 HB2 SER 69 HB2 SER 69 5.692 12.413 -15.439 402 HB3 SER 69 HB3 SER 69 6.584 13.823 -16.006 403 HG SER 69 HG SER 69 4.920 12.569 -17.410 404 H CYS 70 H CYS 70 9.121 14.115 -15.792 405 HA CYS 70 HA CYS 70 10.306 13.701 -18.404 406 HB2 CYS 70 HB2 CYS 70 10.888 16.105 -18.312 407 HB3 CYS 70 HB3 CYS 70 9.165 15.769 -18.207 408 H SER 71 H SER 71 11.040 13.584 -15.079 409 HA SER 71 HA SER 71 13.830 14.051 -15.249 410 HB2 SER 71 HB2 SER 71 12.518 14.016 -13.104 411 HB3 SER 71 HB3 SER 71 12.399 12.265 -13.274 412 HG SER 71 HG SER 71 14.142 12.553 -12.020 413 H THR 72 H THR 72 15.450 12.357 -14.919 414 HA THR 72 HA THR 72 15.100 10.332 -16.960 415 HB THR 72 HB THR 72 17.196 11.716 -16.783 416 HG1 THR 72 HG1 THR 72 18.140 10.128 -17.764 417 HG21 THR 72 HG21 THR 72 17.407 11.668 -14.335 418 HG22 THR 72 HG22 THR 72 18.871 11.087 -15.128 419 HG23 THR 72 HG23 THR 72 17.743 9.939 -14.404 420 H ALA 73 H ALA 73 15.952 8.132 -16.620 421 HA ALA 73 HA ALA 73 14.481 6.862 -14.572 422 HB1 ALA 73 HB1 ALA 73 15.481 4.796 -15.386 423 HB2 ALA 73 HB2 ALA 73 16.646 5.718 -16.335 424 HB3 ALA 73 HB3 ALA 73 14.929 5.793 -16.731 425 H CYS 74 H CYS 74 14.961 6.641 -12.594 426 HA CYS 74 HA CYS 74 17.404 7.365 -11.412 427 HB2 CYS 74 HB2 CYS 74 15.023 5.863 -10.381 428 HB3 CYS 74 HB3 CYS 74 16.396 6.321 -9.370 429 H LYS 75 H LYS 75 18.522 5.920 -9.825 430 HA LYS 75 HA LYS 75 19.439 3.580 -11.210 431 HB2 LYS 75 HB2 LYS 75 20.274 4.836 -8.597 432 HB3 LYS 75 HB3 LYS 75 21.018 3.392 -9.271 433 HG2 LYS 75 HG2 LYS 75 20.999 6.149 -10.481 434 HG3 LYS 75 HG3 LYS 75 22.383 5.287 -9.804 435 HD2 LYS 75 HD2 LYS 75 22.142 3.566 -11.535 436 HD3 LYS 75 HD3 LYS 75 20.780 4.449 -12.217 437 HE2 LYS 75 HE2 LYS 75 22.268 6.383 -12.617 438 HE3 LYS 75 HE3 LYS 75 23.626 5.434 -12.018 439 HZ1 LYS 75 HZ1 LYS 75 21.965 4.758 -14.381 440 HZ2 LYS 75 HZ2 LYS 75 23.281 3.865 -13.815 441 HZ3 LYS 75 HZ3 LYS 75 23.516 5.423 -14.426 442 H CYS 76 H CYS 76 16.899 4.225 -9.201 443 HA CYS 76 HA CYS 76 16.914 1.756 -7.802 444 HB2 CYS 76 HB2 CYS 76 14.317 3.124 -8.384 445 HB3 CYS 76 HB3 CYS 76 14.902 2.437 -6.875 446 H ALA 77 H ALA 77 16.536 -0.180 -8.823 447 HA ALA 77 HA ALA 77 14.688 -0.233 -11.068 448 HB1 ALA 77 HB1 ALA 77 16.828 0.387 -12.076 449 HB2 ALA 77 HB2 ALA 77 16.262 -1.193 -12.627 450 HB3 ALA 77 HB3 ALA 77 17.542 -1.084 -11.415 451 H ALA 78 H ALA 78 13.670 -2.006 -11.414 452 HA ALA 78 HA ALA 78 12.889 -4.110 -11.268 453 HB1 ALA 78 HB1 ALA 78 15.079 -4.735 -12.162 454 HB2 ALA 78 HB2 ALA 78 14.445 -5.962 -11.065 455 HB3 ALA 78 HB3 ALA 78 15.707 -4.858 -10.519 456 H GLY 79 H GLY 79 15.230 -4.055 -8.731 457 HA2 GLY 79 HA2 GLY 79 13.204 -4.179 -6.668 458 HA3 GLY 79 HA3 GLY 79 14.115 -5.667 -6.868 459 H SER 80 H SER 80 15.685 -2.719 -7.600 460 HA SER 80 HA SER 80 17.190 -2.926 -5.101 461 HB2 SER 80 HB2 SER 80 18.336 -3.643 -7.316 462 HB3 SER 80 HB3 SER 80 18.370 -1.919 -7.660 463 HG SER 80 HG SER 80 20.263 -2.316 -6.637 464 H CYS 81 H CYS 81 15.794 -1.371 -4.230 465 HA CYS 81 HA CYS 81 16.218 1.349 -5.194 466 HB2 CYS 81 HB2 CYS 81 13.923 0.861 -4.939 467 HB3 CYS 81 HB3 CYS 81 14.188 0.093 -3.379 468 H LYS 82 H LYS 82 16.788 2.972 -3.590 469 HA LYS 82 HA LYS 82 18.058 1.906 -1.198 470 HB2 LYS 82 HB2 LYS 82 20.139 3.212 -1.823 471 HB3 LYS 82 HB3 LYS 82 19.840 1.676 -2.628 472 HG2 LYS 82 HG2 LYS 82 18.741 3.055 -4.462 473 HG3 LYS 82 HG3 LYS 82 19.526 4.445 -3.707 474 HD2 LYS 82 HD2 LYS 82 20.992 1.963 -4.462 475 HD3 LYS 82 HD3 LYS 82 20.770 3.307 -5.590 476 HE2 LYS 82 HE2 LYS 82 21.836 4.799 -3.889 477 HE3 LYS 82 HE3 LYS 82 22.180 3.367 -2.921 478 HZ1 LYS 82 HZ1 LYS 82 24.068 4.069 -4.290 479 HZ2 LYS 82 HZ2 LYS 82 23.152 3.813 -5.690 480 HZ3 LYS 82 HZ3 LYS 82 23.548 2.512 -4.689 481 H CYS 83 H CYS 83 16.058 4.233 -2.358 482 HA CYS 83 HA CYS 83 17.209 6.313 -0.647 483 HB2 CYS 83 HB2 CYS 83 15.629 7.878 -1.637 484 HB3 CYS 83 HB3 CYS 83 16.510 7.030 -2.898 485 H GLY 84 H GLY 84 15.043 3.807 -0.429 486 HA2 GLY 84 HA2 GLY 84 14.126 3.245 1.696 487 HA3 GLY 84 HA3 GLY 84 14.010 4.958 2.065 488 H LYS 85 H LYS 85 12.952 4.735 -0.997 489 HA LYS 85 HA LYS 85 10.187 4.851 -0.138 490 HB2 LYS 85 HB2 LYS 85 11.403 5.226 -2.880 491 HB3 LYS 85 HB3 LYS 85 9.724 5.536 -2.460 492 HG2 LYS 85 HG2 LYS 85 12.057 6.938 -1.188 493 HG3 LYS 85 HG3 LYS 85 11.169 7.565 -2.576 494 HD2 LYS 85 HD2 LYS 85 9.733 6.804 -0.052 495 HD3 LYS 85 HD3 LYS 85 10.515 8.378 -0.205 496 HE2 LYS 85 HE2 LYS 85 8.499 7.291 -2.161 497 HE3 LYS 85 HE3 LYS 85 8.087 8.361 -0.820 498 HZ1 LYS 85 HZ1 LYS 85 9.592 10.031 -1.765 499 HZ2 LYS 85 HZ2 LYS 85 8.367 9.633 -2.848 500 HZ3 LYS 85 HZ3 LYS 85 9.929 9.016 -3.074 501 H GLY 86 H GLY 86 12.259 2.763 -2.028 502 HA2 GLY 86 HA2 GLY 86 11.982 0.537 -2.593 503 HA3 GLY 86 HA3 GLY 86 10.505 0.532 -1.637 504 H CYS 87 H CYS 87 11.457 2.451 -4.430 505 HA CYS 87 HA CYS 87 8.898 1.745 -5.675 506 HB2 CYS 87 HB2 CYS 87 9.590 3.682 -7.233 507 HB3 CYS 87 HB3 CYS 87 9.100 4.067 -5.586 508 H THR 88 H THR 88 12.344 1.726 -6.248 509 HA THR 88 HA THR 88 13.691 0.654 -7.707 510 HB THR 88 HB THR 88 13.106 -1.661 -8.305 511 HG1 THR 88 HG1 THR 88 10.585 -0.770 -8.046 512 HG21 THR 88 HG21 THR 88 14.008 -1.250 -6.120 513 HG22 THR 88 HG22 THR 88 12.744 -2.473 -5.982 514 HG23 THR 88 HG23 THR 88 12.418 -0.811 -5.500 515 H GLY 89 H GLY 89 12.398 2.676 -8.949 516 HA2 GLY 89 HA2 GLY 89 12.881 2.405 -11.572 517 HA3 GLY 89 HA3 GLY 89 11.256 1.744 -11.430 518 HA PRO 90 HA PRO 90 11.405 6.472 -11.429 519 HB2 PRO 90 HB2 PRO 90 11.033 7.091 -14.021 520 HB3 PRO 90 HB3 PRO 90 12.642 6.794 -13.348 521 HG2 PRO 90 HG2 PRO 90 10.896 4.980 -14.953 522 HG3 PRO 90 HG3 PRO 90 12.648 5.219 -15.057 523 HD2 PRO 90 HD2 PRO 90 11.433 3.123 -13.766 524 HD3 PRO 90 HD3 PRO 90 13.052 3.733 -13.371 525 H ASP 91 H ASP 91 9.457 4.060 -12.913 526 HA ASP 91 HA ASP 91 7.133 5.584 -13.448 527 HB2 ASP 91 HB2 ASP 91 7.353 2.629 -12.834 528 HB3 ASP 91 HB3 ASP 91 6.008 3.429 -13.633 529 H SER 92 H SER 92 8.222 3.636 -10.719 530 HA SER 92 HA SER 92 5.824 4.313 -9.218 531 HB2 SER 92 HB2 SER 92 8.127 2.503 -8.467 532 HB3 SER 92 HB3 SER 92 6.587 2.647 -7.622 533 HG SER 92 HG SER 92 7.230 1.159 -9.777 534 H CYS 93 H CYS 93 9.019 5.397 -9.624 535 HA CYS 93 HA CYS 93 9.472 6.267 -6.971 536 HB2 CYS 93 HB2 CYS 93 11.225 5.904 -8.815 537 HB3 CYS 93 HB3 CYS 93 10.756 7.496 -9.402 538 H LYS 94 H LYS 94 8.913 8.087 -6.004 539 HA LYS 94 HA LYS 94 7.473 10.144 -7.548 540 HB2 LYS 94 HB2 LYS 94 6.791 9.176 -4.754 541 HB3 LYS 94 HB3 LYS 94 5.901 10.365 -5.695 542 HG2 LYS 94 HG2 LYS 94 5.183 8.697 -7.251 543 HG3 LYS 94 HG3 LYS 94 6.239 7.490 -6.522 544 HD2 LYS 94 HD2 LYS 94 4.918 7.655 -4.428 545 HD3 LYS 94 HD3 LYS 94 3.835 8.793 -5.231 546 HE2 LYS 94 HE2 LYS 94 3.307 7.080 -6.901 547 HE3 LYS 94 HE3 LYS 94 4.378 5.960 -6.063 548 HZ1 LYS 94 HZ1 LYS 94 1.948 7.201 -4.887 549 HZ2 LYS 94 HZ2 LYS 94 2.956 6.074 -4.132 550 HZ3 LYS 94 HZ3 LYS 94 2.043 5.619 -5.476 551 H CYS 95 H CYS 95 10.066 10.584 -7.253 552 HA CYS 95 HA CYS 95 10.327 12.353 -4.900 553 HB2 CYS 95 HB2 CYS 95 12.574 10.833 -6.170 554 HB3 CYS 95 HB3 CYS 95 12.578 11.699 -4.636 555 H ASP 96 H ASP 96 12.574 13.572 -5.263 556 HA ASP 96 HA ASP 96 12.256 15.208 -7.668 557 HB2 ASP 96 HB2 ASP 96 12.459 16.121 -5.219 558 HB3 ASP 96 HB3 ASP 96 14.164 15.758 -5.402 559 H ARG 97 H ARG 97 14.663 16.133 -8.139 560 HA ARG 97 HA ARG 97 16.128 13.733 -8.993 561 HB2 ARG 97 HB2 ARG 97 16.603 16.568 -9.885 562 HB3 ARG 97 HB3 ARG 97 17.130 15.085 -10.673 563 HG2 ARG 97 HG2 ARG 97 14.756 14.522 -11.093 564 HG3 ARG 97 HG3 ARG 97 14.324 16.090 -10.397 565 HD2 ARG 97 HD2 ARG 97 14.385 16.128 -12.848 566 HD3 ARG 97 HD3 ARG 97 15.525 17.243 -12.112 567 HE ARG 97 HE ARG 97 16.584 14.656 -12.852 568 HH11 ARG 97 HH11 ARG 97 16.100 18.011 -13.760 569 HH12 ARG 97 HH12 ARG 97 17.348 18.020 -14.952 570 HH21 ARG 97 HH21 ARG 97 18.243 14.654 -14.426 571 HH22 ARG 97 HH22 ARG 97 18.586 16.087 -15.328 572 H SER 98 H SER 98 16.046 15.609 -6.469 573 HA SER 98 HA SER 98 18.946 15.756 -6.117 574 HB2 SER 98 HB2 SER 98 18.344 17.449 -4.335 575 HB3 SER 98 HB3 SER 98 17.942 17.924 -5.989 576 HG SER 98 HG SER 98 15.853 17.738 -5.584 577 H CYS 99 H CYS 99 16.808 13.531 -5.620 578 HA CYS 99 HA CYS 99 17.091 13.156 -2.751 579 HB2 CYS 99 HB2 CYS 99 14.947 12.641 -4.105 580 HB3 CYS 99 HB3 CYS 99 15.792 11.198 -4.647 581 H SER 100 H SER 100 17.604 10.757 -2.103 582 HA SER 100 HA SER 100 20.319 10.314 -2.545 583 HB2 SER 100 HB2 SER 100 18.249 8.338 -1.578 584 HB3 SER 100 HB3 SER 100 19.990 8.222 -1.326 585 HG SER 100 HG SER 100 19.921 9.814 0.102 586 H CYS 101 H CYS 101 17.539 8.981 -4.200 587 HA CYS 101 HA CYS 101 18.851 6.831 -5.506 588 HB2 CYS 101 HB2 CYS 101 16.809 6.924 -6.951 589 HB3 CYS 101 HB3 CYS 101 16.492 6.793 -5.221 590 H LYS 102 H LYS 102 18.465 10.207 -6.173 591 HA LYS 102 HA LYS 102 19.456 9.888 -8.899 592 HB2 LYS 102 HB2 LYS 102 18.346 12.314 -7.481 593 HB3 LYS 102 HB3 LYS 102 18.845 12.267 -9.165 594 HG2 LYS 102 HG2 LYS 102 16.857 10.245 -8.340 595 HG3 LYS 102 HG3 LYS 102 16.306 11.914 -8.343 596 HD2 LYS 102 HD2 LYS 102 15.805 10.855 -10.481 597 HD3 LYS 102 HD3 LYS 102 17.005 12.122 -10.708 598 HE2 LYS 102 HE2 LYS 102 17.885 9.290 -10.293 599 HE3 LYS 102 HE3 LYS 102 17.287 9.792 -11.872 600 HZ1 LYS 102 HZ1 LYS 102 19.530 11.114 -10.430 601 HZ2 LYS 102 HZ2 LYS 102 19.003 11.451 -11.993 602 HZ3 LYS 102 HZ3 LYS 102 19.718 9.963 -11.646 Start of MODEL 15 1 HA2 GLY 1 HA2 GLY 1 17.992 2.186 5.707 2 HA3 GLY 1 HA3 GLY 1 19.559 2.954 5.513 3 H SER 2 H SER 2 19.441 5.434 5.799 4 HA SER 2 HA SER 2 18.087 5.923 8.330 5 HB2 SER 2 HB2 SER 2 20.540 6.427 8.051 6 HB3 SER 2 HB3 SER 2 20.102 7.664 6.876 7 HG SER 2 HG SER 2 19.246 8.884 8.445 8 H MET 3 H MET 3 16.042 6.534 8.027 9 HA MET 3 HA MET 3 15.254 8.031 5.687 10 HB2 MET 3 HB2 MET 3 13.565 7.206 8.052 11 HB3 MET 3 HB3 MET 3 12.989 7.739 6.479 12 HG2 MET 3 HG2 MET 3 14.485 5.199 7.083 13 HG3 MET 3 HG3 MET 3 12.780 5.351 6.667 14 HE1 MET 3 HE1 MET 3 13.142 3.468 4.799 15 HE2 MET 3 HE2 MET 3 14.852 3.372 5.219 16 HE3 MET 3 HE3 MET 3 14.366 3.577 3.535 17 H SER 4 H SER 4 15.771 10.120 5.693 18 HA SER 4 HA SER 4 15.208 11.678 8.119 19 HB2 SER 4 HB2 SER 4 17.597 11.635 7.366 20 HB3 SER 4 HB3 SER 4 17.090 12.378 5.852 21 HG SER 4 HG SER 4 17.808 13.652 7.947 22 H SER 5 H SER 5 14.111 13.649 7.898 23 HA SER 5 HA SER 5 12.369 13.775 5.585 24 HB2 SER 5 HB2 SER 5 11.492 14.010 7.923 25 HB3 SER 5 HB3 SER 5 12.378 15.528 8.052 26 HG SER 5 HG SER 5 9.979 15.053 6.944 27 H VAL 6 H VAL 6 11.862 16.477 5.376 28 HA VAL 6 HA VAL 6 14.453 17.680 4.707 29 HB VAL 6 HB VAL 6 13.436 16.395 2.749 30 HG11 VAL 6 HG11 VAL 6 11.126 16.999 3.020 31 HG12 VAL 6 HG12 VAL 6 11.706 17.542 1.445 32 HG13 VAL 6 HG13 VAL 6 11.507 18.701 2.758 33 HG21 VAL 6 HG21 VAL 6 14.065 18.099 1.107 34 HG22 VAL 6 HG22 VAL 6 15.215 18.013 2.442 35 HG23 VAL 6 HG23 VAL 6 14.036 19.323 2.376 36 H PHE 7 H PHE 7 12.032 18.098 6.586 37 HA PHE 7 HA PHE 7 10.813 20.541 5.769 38 HB2 PHE 7 HB2 PHE 7 9.853 20.637 8.010 39 HB3 PHE 7 HB3 PHE 7 9.667 19.027 7.322 40 HD1 PHE 7 HD1 PHE 7 11.078 21.003 10.003 41 HD2 PHE 7 HD2 PHE 7 11.100 17.173 8.163 42 HE1 PHE 7 HE1 PHE 7 12.112 20.050 12.017 43 HE2 PHE 7 HE2 PHE 7 12.138 16.209 10.176 44 HZ PHE 7 HZ PHE 7 12.645 17.650 12.104 45 H GLY 8 H GLY 8 10.999 22.587 6.755 46 HA2 GLY 8 HA2 GLY 8 13.742 23.259 7.436 47 HA3 GLY 8 HA3 GLY 8 12.450 24.388 7.052 48 H ALA 9 H ALA 9 12.520 25.705 8.774 49 HA ALA 9 HA ALA 9 12.382 24.474 11.449 50 HB1 ALA 9 HB1 ALA 9 13.418 27.201 10.685 51 HB2 ALA 9 HB2 ALA 9 14.409 25.796 11.078 52 HB3 ALA 9 HB3 ALA 9 13.382 26.526 12.314 53 H GLY 10 H GLY 10 10.280 25.248 9.435 54 HA2 GLY 10 HA2 GLY 10 8.199 25.870 11.044 55 HA3 GLY 10 HA3 GLY 10 8.878 27.444 10.649 56 H CYS 11 H CYS 11 8.254 24.420 8.843 57 HA CYS 11 HA CYS 11 7.547 25.844 6.499 58 HB2 CYS 11 HB2 CYS 11 6.967 22.986 7.235 59 HB3 CYS 11 HB3 CYS 11 6.930 23.680 5.617 60 H THR 12 H THR 12 5.499 25.707 5.434 61 HA THR 12 HA THR 12 3.328 26.342 7.193 62 HB THR 12 HB THR 12 2.118 26.667 5.030 63 HG1 THR 12 HG1 THR 12 4.501 26.515 3.594 64 HG21 THR 12 HG21 THR 12 4.785 28.042 5.298 65 HG22 THR 12 HG22 THR 12 3.277 28.525 6.075 66 HG23 THR 12 HG23 THR 12 3.434 28.615 4.321 67 H ASP 13 H ASP 13 1.178 25.323 6.782 68 HA ASP 13 HA ASP 13 1.320 22.489 6.922 69 HB2 ASP 13 HB2 ASP 13 -0.485 23.621 8.060 70 HB3 ASP 13 HB3 ASP 13 -1.008 24.395 6.568 71 H VAL 14 H VAL 14 0.801 24.830 4.450 72 HA VAL 14 HA VAL 14 -0.230 23.035 2.500 73 HB VAL 14 HB VAL 14 -0.722 25.474 2.573 74 HG11 VAL 14 HG11 VAL 14 0.854 27.061 1.623 75 HG12 VAL 14 HG12 VAL 14 2.071 25.790 1.513 76 HG13 VAL 14 HG13 VAL 14 1.487 26.317 3.091 77 HG21 VAL 14 HG21 VAL 14 0.497 24.587 -0.018 78 HG22 VAL 14 HG22 VAL 14 -0.778 25.785 0.209 79 HG23 VAL 14 HG23 VAL 14 -1.085 24.093 0.574 80 H CYS 15 H CYS 15 2.906 23.574 3.679 81 HA CYS 15 HA CYS 15 4.327 23.032 1.246 82 HB2 CYS 15 HB2 CYS 15 5.444 24.282 2.996 83 HB3 CYS 15 HB3 CYS 15 5.193 22.972 4.144 84 H LYS 16 H LYS 16 2.787 21.185 3.709 85 HA LYS 16 HA LYS 16 4.188 18.739 3.039 86 HB2 LYS 16 HB2 LYS 16 1.735 19.047 4.780 87 HB3 LYS 16 HB3 LYS 16 2.855 17.693 4.748 88 HG2 LYS 16 HG2 LYS 16 3.540 20.487 5.639 89 HG3 LYS 16 HG3 LYS 16 3.156 19.144 6.712 90 HD2 LYS 16 HD2 LYS 16 5.157 18.036 6.241 91 HD3 LYS 16 HD3 LYS 16 5.386 18.893 4.712 92 HE2 LYS 16 HE2 LYS 16 5.865 20.961 5.897 93 HE3 LYS 16 HE3 LYS 16 5.538 20.187 7.442 94 HZ1 LYS 16 HZ1 LYS 16 7.749 19.521 5.584 95 HZ2 LYS 16 HZ2 LYS 16 7.405 18.685 7.013 96 HZ3 LYS 16 HZ3 LYS 16 7.878 20.304 7.080 97 H GLN 17 H GLN 17 2.238 20.432 1.299 98 HA GLN 17 HA GLN 17 0.223 18.511 0.573 99 HB2 GLN 17 HB2 GLN 17 1.029 21.200 -0.470 100 HB3 GLN 17 HB3 GLN 17 0.056 20.151 -1.487 101 HG2 GLN 17 HG2 GLN 17 -1.599 20.017 0.388 102 HG3 GLN 17 HG3 GLN 17 -0.655 21.251 1.220 103 HE21 GLN 17 HE21 GLN 17 -2.546 22.571 1.164 104 HE22 GLN 17 HE22 GLN 17 -2.983 23.434 -0.273 105 H THR 18 H THR 18 0.043 17.878 -1.745 106 HA THR 18 HA THR 18 2.487 17.483 -3.206 107 HB THR 18 HB THR 18 1.050 15.047 -2.085 108 HG1 THR 18 HG1 THR 18 3.035 16.539 -1.084 109 HG21 THR 18 HG21 THR 18 1.890 14.692 -4.368 110 HG22 THR 18 HG22 THR 18 2.822 13.757 -3.197 111 HG23 THR 18 HG23 THR 18 3.488 15.247 -3.867 112 HA PRO 19 HA PRO 19 2.935 17.984 -5.160 113 HB2 PRO 19 HB2 PRO 19 2.251 20.112 -6.712 114 HB3 PRO 19 HB3 PRO 19 2.482 18.482 -7.355 115 HG2 PRO 19 HG2 PRO 19 -0.056 19.898 -6.646 116 HG3 PRO 19 HG3 PRO 19 0.302 18.886 -8.057 117 HD2 PRO 19 HD2 PRO 19 -1.085 17.959 -5.933 118 HD3 PRO 19 HD3 PRO 19 -0.004 16.921 -6.884 119 H CYS 20 H CYS 20 3.952 20.044 -4.621 120 HA CYS 20 HA CYS 20 3.140 20.964 -2.139 121 HB2 CYS 20 HB2 CYS 20 5.414 21.106 -3.521 122 HB3 CYS 20 HB3 CYS 20 4.819 22.739 -3.806 123 H GLY 21 H GLY 21 1.884 22.607 -1.461 124 HA2 GLY 21 HA2 GLY 21 0.272 23.805 -3.558 125 HA3 GLY 21 HA3 GLY 21 -0.156 23.647 -1.862 126 H CYS 22 H CYS 22 2.919 24.738 -1.742 127 HA CYS 22 HA CYS 22 2.172 27.345 -0.979 128 HB2 CYS 22 HB2 CYS 22 4.855 26.154 -1.642 129 HB3 CYS 22 HB3 CYS 22 4.672 27.823 -1.119 130 H ALA 23 H ALA 23 2.722 26.007 -4.059 131 HA ALA 23 HA ALA 23 3.439 28.458 -5.376 132 HB1 ALA 23 HB1 ALA 23 4.201 26.323 -6.245 133 HB2 ALA 23 HB2 ALA 23 3.203 27.156 -7.436 134 HB3 ALA 23 HB3 ALA 23 2.534 25.815 -6.506 135 H THR 24 H THR 24 0.530 27.143 -4.236 136 HA THR 24 HA THR 24 -0.972 28.952 -6.001 137 HB THR 24 HB THR 24 -1.488 26.620 -6.592 138 HG1 THR 24 HG1 THR 24 -3.608 27.972 -5.236 139 HG21 THR 24 HG21 THR 24 -2.655 25.149 -5.009 140 HG22 THR 24 HG22 THR 24 -2.452 26.355 -3.739 141 HG23 THR 24 HG23 THR 24 -1.039 25.559 -4.431 142 H SER 25 H SER 25 -0.296 27.949 -2.782 143 HA SER 25 HA SER 25 -2.504 29.573 -1.735 144 HB2 SER 25 HB2 SER 25 -0.753 27.542 -0.354 145 HB3 SER 25 HB3 SER 25 -2.115 28.392 0.383 146 HG SER 25 HG SER 25 -3.376 27.419 -1.424 147 H GLY 26 H GLY 26 0.851 29.656 -2.270 148 HA2 GLY 26 HA2 GLY 26 2.151 31.592 -1.870 149 HA3 GLY 26 HA3 GLY 26 1.072 32.014 -0.549 150 H CYS 27 H CYS 27 4.101 31.395 -0.985 151 HA CYS 27 HA CYS 27 4.524 29.304 0.969 152 HB2 CYS 27 HB2 CYS 27 6.023 29.423 -0.939 153 HB3 CYS 27 HB3 CYS 27 6.459 31.077 -0.529 154 H ASN 28 H ASN 28 5.270 29.563 3.041 155 HA ASN 28 HA ASN 28 5.913 32.261 4.020 156 HB2 ASN 28 HB2 ASN 28 3.981 30.422 5.462 157 HB3 ASN 28 HB3 ASN 28 4.510 32.006 6.001 158 HD21 ASN 28 HD21 ASN 28 2.504 30.241 3.825 159 HD22 ASN 28 HD22 ASN 28 1.547 31.579 3.294 160 H CYS 29 H CYS 29 7.139 29.456 3.500 161 HA CYS 29 HA CYS 29 7.890 28.506 6.079 162 HB2 CYS 29 HB2 CYS 29 9.027 27.893 3.355 163 HB3 CYS 29 HB3 CYS 29 9.420 27.025 4.833 164 H THR 30 H THR 30 10.147 28.300 6.757 165 HA THR 30 HA THR 30 11.443 30.866 6.629 166 HB THR 30 HB THR 30 13.005 29.766 8.310 167 HG1 THR 30 HG1 THR 30 11.585 27.866 9.225 168 HG21 THR 30 HG21 THR 30 11.139 31.214 8.978 169 HG22 THR 30 HG22 THR 30 11.367 29.892 10.124 170 HG23 THR 30 HG23 THR 30 10.055 29.822 8.947 171 H ASP 31 H ASP 31 14.006 30.643 6.678 172 HA ASP 31 HA ASP 31 14.723 29.787 4.052 173 HB2 ASP 31 HB2 ASP 31 16.273 30.996 6.321 174 HB3 ASP 31 HB3 ASP 31 17.076 30.440 4.858 175 H ASP 32 H ASP 32 14.751 28.286 7.105 176 HA ASP 32 HA ASP 32 16.814 26.387 6.544 177 HB2 ASP 32 HB2 ASP 32 16.093 27.009 8.857 178 HB3 ASP 32 HB3 ASP 32 14.575 26.167 8.570 179 H CYS 33 H CYS 33 13.690 26.786 5.408 180 HA CYS 33 HA CYS 33 12.745 24.158 5.114 181 HB2 CYS 33 HB2 CYS 33 11.313 26.077 4.692 182 HB3 CYS 33 HB3 CYS 33 12.345 26.596 3.367 183 H LYS 34 H LYS 34 13.604 22.521 4.032 184 HA LYS 34 HA LYS 34 15.572 23.146 1.953 185 HB2 LYS 34 HB2 LYS 34 15.215 20.691 3.656 186 HB3 LYS 34 HB3 LYS 34 16.381 20.812 2.342 187 HG2 LYS 34 HG2 LYS 34 17.376 22.777 3.556 188 HG3 LYS 34 HG3 LYS 34 16.315 22.372 4.909 189 HD2 LYS 34 HD2 LYS 34 18.361 20.515 3.682 190 HD3 LYS 34 HD3 LYS 34 18.586 21.433 5.171 191 HE2 LYS 34 HE2 LYS 34 16.621 20.261 6.131 192 HE3 LYS 34 HE3 LYS 34 16.528 19.286 4.665 193 HZ1 LYS 34 HZ1 LYS 34 18.788 18.487 5.144 194 HZ2 LYS 34 HZ2 LYS 34 17.693 18.087 6.362 195 HZ3 LYS 34 HZ3 LYS 34 18.781 19.358 6.595 196 H CYS 35 H CYS 35 12.468 22.705 1.855 197 HA CYS 35 HA CYS 35 12.225 20.379 0.230 198 HB2 CYS 35 HB2 CYS 35 10.336 21.256 1.568 199 HB3 CYS 35 HB3 CYS 35 10.289 22.678 0.529 200 H GLN 36 H GLN 36 11.944 20.264 -1.974 201 HA GLN 36 HA GLN 36 13.013 22.583 -3.434 202 HB2 GLN 36 HB2 GLN 36 12.913 19.793 -4.533 203 HB3 GLN 36 HB3 GLN 36 14.011 21.103 -4.946 204 HG2 GLN 36 HG2 GLN 36 15.042 20.871 -2.699 205 HG3 GLN 36 HG3 GLN 36 14.015 19.469 -2.418 206 HE21 GLN 36 HE21 GLN 36 14.304 18.734 -5.310 207 HE22 GLN 36 HE22 GLN 36 15.867 18.004 -5.413 208 H SER 37 H SER 37 10.163 21.488 -2.639 209 HA SER 37 HA SER 37 9.028 21.424 -5.330 210 HB2 SER 37 HB2 SER 37 7.647 20.733 -2.736 211 HB3 SER 37 HB3 SER 37 7.099 20.373 -4.375 212 HG SER 37 HG SER 37 8.651 18.904 -2.810 213 H CYS 38 H CYS 38 8.987 23.372 -2.390 214 HA CYS 38 HA CYS 38 6.870 25.021 -3.577 215 HB2 CYS 38 HB2 CYS 38 6.795 26.181 -1.432 216 HB3 CYS 38 HB3 CYS 38 6.653 24.445 -1.182 217 H LYS 39 H LYS 39 10.196 24.827 -3.133 218 HA LYS 39 HA LYS 39 10.665 27.654 -3.418 219 HB2 LYS 39 HB2 LYS 39 12.414 25.308 -2.833 220 HB3 LYS 39 HB3 LYS 39 13.042 26.934 -3.103 221 HG2 LYS 39 HG2 LYS 39 12.046 27.776 -1.191 222 HG3 LYS 39 HG3 LYS 39 10.885 26.451 -1.099 223 HD2 LYS 39 HD2 LYS 39 12.638 26.341 0.597 224 HD3 LYS 39 HD3 LYS 39 12.602 24.926 -0.459 225 HE2 LYS 39 HE2 LYS 39 14.407 25.938 -1.806 226 HE3 LYS 39 HE3 LYS 39 14.509 27.261 -0.645 227 HZ1 LYS 39 HZ1 LYS 39 15.033 25.555 1.066 228 HZ2 LYS 39 HZ2 LYS 39 16.201 25.680 -0.143 229 HZ3 LYS 39 HZ3 LYS 39 15.105 24.394 -0.164 230 H TYR 40 H TYR 40 9.502 26.658 -5.705 231 HA TYR 40 HA TYR 40 11.036 25.702 -7.784 232 HB2 TYR 40 HB2 TYR 40 8.905 27.836 -7.810 233 HB3 TYR 40 HB3 TYR 40 9.605 27.172 -9.278 234 HD1 TYR 40 HD1 TYR 40 7.189 26.711 -6.640 235 HD2 TYR 40 HD2 TYR 40 9.252 24.745 -9.794 236 HE1 TYR 40 HE1 TYR 40 5.502 24.921 -6.627 237 HE2 TYR 40 HE2 TYR 40 7.574 22.953 -9.785 238 HH TYR 40 HH TYR 40 5.930 21.986 -8.326 239 H GLY 41 H GLY 41 12.804 26.414 -8.865 240 HA2 GLY 41 HA2 GLY 41 13.272 28.935 -9.834 241 HA3 GLY 41 HA3 GLY 41 13.956 28.960 -8.217 242 H ALA 42 H ALA 42 15.252 26.750 -7.841 243 HA ALA 42 HA ALA 42 17.335 26.865 -9.872 244 HB1 ALA 42 HB1 ALA 42 18.748 25.778 -8.219 245 HB2 ALA 42 HB2 ALA 42 17.363 25.573 -7.148 246 HB3 ALA 42 HB3 ALA 42 17.954 27.192 -7.523 247 H GLY 43 H GLY 43 14.651 25.155 -9.737 248 HA2 GLY 43 HA2 GLY 43 16.018 22.790 -10.791 249 HA3 GLY 43 HA3 GLY 43 14.753 22.599 -9.600 250 H CYS 44 H CYS 44 13.500 25.002 -11.233 251 HA CYS 44 HA CYS 44 12.219 23.134 -13.115 252 HB2 CYS 44 HB2 CYS 44 10.947 25.022 -11.187 253 HB3 CYS 44 HB3 CYS 44 10.088 24.493 -12.627 254 H THR 45 H THR 45 10.455 24.524 -14.357 255 HA THR 45 HA THR 45 11.515 26.979 -15.429 256 HB THR 45 HB THR 45 12.594 25.224 -16.830 257 HG1 THR 45 HG1 THR 45 12.068 27.064 -17.971 258 HG21 THR 45 HG21 THR 45 9.760 24.350 -17.416 259 HG22 THR 45 HG22 THR 45 10.967 23.429 -16.520 260 HG23 THR 45 HG23 THR 45 11.203 23.755 -18.238 261 H ASP 46 H ASP 46 9.831 27.667 -17.189 262 HA ASP 46 HA ASP 46 7.296 27.760 -15.858 263 HB2 ASP 46 HB2 ASP 46 8.213 28.822 -18.530 264 HB3 ASP 46 HB3 ASP 46 6.564 29.020 -17.948 265 H THR 47 H THR 47 8.650 25.624 -18.065 266 HA THR 47 HA THR 47 6.232 24.818 -19.371 267 HB THR 47 HB THR 47 8.786 23.224 -19.315 268 HG1 THR 47 HG1 THR 47 8.743 24.893 -21.396 269 HG21 THR 47 HG21 THR 47 8.125 22.704 -21.613 270 HG22 THR 47 HG22 THR 47 6.715 23.751 -21.450 271 HG23 THR 47 HG23 THR 47 6.840 22.282 -20.481 272 H CYS 48 H CYS 48 7.873 23.972 -16.439 273 HA CYS 48 HA CYS 48 6.680 21.334 -16.271 274 HB2 CYS 48 HB2 CYS 48 8.973 21.774 -15.409 275 HB3 CYS 48 HB3 CYS 48 8.289 22.849 -14.199 276 H LYS 49 H LYS 49 6.285 24.492 -14.697 277 HA LYS 49 HA LYS 49 4.343 23.560 -12.808 278 HB2 LYS 49 HB2 LYS 49 4.053 26.062 -12.412 279 HB3 LYS 49 HB3 LYS 49 5.638 25.366 -12.089 280 HG2 LYS 49 HG2 LYS 49 6.515 26.232 -14.137 281 HG3 LYS 49 HG3 LYS 49 4.915 26.756 -14.657 282 HD2 LYS 49 HD2 LYS 49 6.408 28.548 -13.803 283 HD3 LYS 49 HD3 LYS 49 4.845 28.450 -12.982 284 HE2 LYS 49 HE2 LYS 49 5.916 27.245 -11.130 285 HE3 LYS 49 HE3 LYS 49 7.464 27.318 -11.970 286 HZ1 LYS 49 HZ1 LYS 49 5.906 29.666 -11.030 287 HZ2 LYS 49 HZ2 LYS 49 7.415 29.717 -11.792 288 HZ3 LYS 49 HZ3 LYS 49 7.271 29.029 -10.260 289 H GLN 50 H GLN 50 3.888 23.600 -15.922 290 HA GLN 50 HA GLN 50 1.672 25.304 -16.361 291 HB2 GLN 50 HB2 GLN 50 2.382 22.763 -17.793 292 HB3 GLN 50 HB3 GLN 50 1.269 23.999 -18.376 293 HG2 GLN 50 HG2 GLN 50 3.323 25.564 -18.084 294 HG3 GLN 50 HG3 GLN 50 4.231 24.060 -18.145 295 HE21 GLN 50 HE21 GLN 50 4.310 26.196 -19.979 296 HE22 GLN 50 HE22 GLN 50 3.804 25.586 -21.516 297 H THR 51 H THR 51 1.925 22.003 -15.208 298 HA THR 51 HA THR 51 0.473 20.682 -14.072 299 HB THR 51 HB THR 51 -1.573 22.913 -14.271 300 HG1 THR 51 HG1 THR 51 0.269 23.662 -13.194 301 HG21 THR 51 HG21 THR 51 -2.519 20.728 -13.662 302 HG22 THR 51 HG22 THR 51 -2.554 21.832 -12.287 303 HG23 THR 51 HG23 THR 51 -1.327 20.568 -12.371 304 HA PRO 52 HA PRO 52 -0.064 18.751 -13.950 305 HB2 PRO 52 HB2 PRO 52 0.778 16.559 -15.337 306 HB3 PRO 52 HB3 PRO 52 -0.865 16.727 -14.711 307 HG2 PRO 52 HG2 PRO 52 0.161 17.190 -17.483 308 HG3 PRO 52 HG3 PRO 52 -1.334 16.395 -16.962 309 HD2 PRO 52 HD2 PRO 52 -1.277 18.945 -17.869 310 HD3 PRO 52 HD3 PRO 52 -2.432 18.396 -16.641 311 H CYS 53 H CYS 53 1.322 18.818 -17.206 312 HA CYS 53 HA CYS 53 3.660 20.188 -16.414 313 HB2 CYS 53 HB2 CYS 53 4.040 17.852 -15.543 314 HB3 CYS 53 HB3 CYS 53 4.006 17.305 -17.213 315 H GLY 54 H GLY 54 4.465 21.185 -18.250 316 HA2 GLY 54 HA2 GLY 54 3.177 20.377 -20.751 317 HA3 GLY 54 HA3 GLY 54 3.898 21.941 -20.419 318 H CYS 55 H CYS 55 6.137 19.821 -19.262 319 HA CYS 55 HA CYS 55 7.933 20.275 -21.345 320 HB2 CYS 55 HB2 CYS 55 7.968 18.193 -19.160 321 HB3 CYS 55 HB3 CYS 55 9.325 18.519 -20.231 322 H GLY 56 H GLY 56 6.396 17.181 -20.433 323 HA2 GLY 56 HA2 GLY 56 5.939 15.295 -21.669 324 HA3 GLY 56 HA3 GLY 56 5.486 16.432 -22.928 325 H SER 57 H SER 57 8.434 15.138 -21.443 326 HA SER 57 HA SER 57 10.300 14.206 -22.304 327 HB2 SER 57 HB2 SER 57 8.961 14.269 -25.020 328 HB3 SER 57 HB3 SER 57 10.344 13.283 -24.543 329 HG SER 57 HG SER 57 8.646 12.595 -22.804 330 H GLY 58 H GLY 58 9.052 17.134 -23.339 331 HA2 GLY 58 HA2 GLY 58 11.665 18.012 -24.379 332 HA3 GLY 58 HA3 GLY 58 10.128 18.799 -24.736 333 H CYS 59 H CYS 59 12.286 17.979 -22.101 334 HA CYS 59 HA CYS 59 11.073 19.932 -20.354 335 HB2 CYS 59 HB2 CYS 59 11.560 17.999 -19.225 336 HB3 CYS 59 HB3 CYS 59 13.093 17.753 -20.052 337 H ASN 60 H ASN 60 12.159 21.625 -19.339 338 HA ASN 60 HA ASN 60 14.714 22.521 -20.465 339 HB2 ASN 60 HB2 ASN 60 12.114 24.031 -20.547 340 HB3 ASN 60 HB3 ASN 60 13.649 24.890 -20.495 341 HD21 ASN 60 HD21 ASN 60 15.028 24.775 -22.240 342 HD22 ASN 60 HD22 ASN 60 14.500 24.231 -23.795 343 H CYS 61 H CYS 61 13.704 21.446 -17.859 344 HA CYS 61 HA CYS 61 13.639 23.615 -16.011 345 HB2 CYS 61 HB2 CYS 61 13.856 20.637 -15.715 346 HB3 CYS 61 HB3 CYS 61 14.017 21.705 -14.324 347 H LYS 62 H LYS 62 15.180 23.238 -13.989 348 HA LYS 62 HA LYS 62 17.797 23.971 -14.971 349 HB2 LYS 62 HB2 LYS 62 16.521 23.995 -12.242 350 HB3 LYS 62 HB3 LYS 62 18.196 24.434 -12.498 351 HG2 LYS 62 HG2 LYS 62 16.019 25.810 -14.021 352 HG3 LYS 62 HG3 LYS 62 16.386 26.272 -12.358 353 HD2 LYS 62 HD2 LYS 62 18.549 26.095 -14.444 354 HD3 LYS 62 HD3 LYS 62 17.575 27.552 -14.262 355 HE2 LYS 62 HE2 LYS 62 18.990 26.282 -11.947 356 HE3 LYS 62 HE3 LYS 62 19.798 27.438 -13.004 357 HZ1 LYS 62 HZ1 LYS 62 18.806 28.425 -10.976 358 HZ2 LYS 62 HZ2 LYS 62 17.266 28.022 -11.553 359 HZ3 LYS 62 HZ3 LYS 62 18.237 29.109 -12.409 360 H GLU 63 H GLU 63 16.926 21.987 -12.145 361 HA GLU 63 HA GLU 63 18.052 19.571 -13.005 362 HB2 GLU 63 HB2 GLU 63 20.175 20.803 -12.997 363 HB3 GLU 63 HB3 GLU 63 19.923 21.237 -11.318 364 HG2 GLU 63 HG2 GLU 63 20.072 18.904 -10.661 365 HG3 GLU 63 HG3 GLU 63 20.257 18.428 -12.347 366 H ASP 64 H ASP 64 17.359 21.711 -10.349 367 HA ASP 64 HA ASP 64 17.097 19.558 -8.431 368 HB2 ASP 64 HB2 ASP 64 17.828 22.079 -8.120 369 HB3 ASP 64 HB3 ASP 64 16.098 22.343 -7.953 370 H CYS 65 H CYS 65 15.378 19.286 -10.706 371 HA CYS 65 HA CYS 65 12.691 20.078 -9.953 372 HB2 CYS 65 HB2 CYS 65 13.291 20.128 -12.316 373 HB3 CYS 65 HB3 CYS 65 13.734 18.427 -12.273 374 H ARG 66 H ARG 66 11.460 18.940 -8.611 375 HA ARG 66 HA ARG 66 12.120 16.207 -7.865 376 HB2 ARG 66 HB2 ARG 66 10.219 18.284 -6.845 377 HB3 ARG 66 HB3 ARG 66 9.920 16.601 -6.447 378 HG2 ARG 66 HG2 ARG 66 12.633 17.722 -5.930 379 HG3 ARG 66 HG3 ARG 66 11.310 18.169 -4.858 380 HD2 ARG 66 HD2 ARG 66 12.089 15.318 -5.512 381 HD3 ARG 66 HD3 ARG 66 12.604 16.189 -4.070 382 HE ARG 66 HE ARG 66 9.788 15.594 -4.700 383 HH11 ARG 66 HH11 ARG 66 12.447 15.828 -2.404 384 HH12 ARG 66 HH12 ARG 66 11.447 15.454 -1.041 385 HH21 ARG 66 HH21 ARG 66 8.495 15.076 -2.897 386 HH22 ARG 66 HH22 ARG 66 9.205 15.018 -1.317 387 H CYS 67 H CYS 67 10.653 17.317 -10.475 388 HA CYS 67 HA CYS 67 8.341 15.549 -10.404 389 HB2 CYS 67 HB2 CYS 67 8.238 17.884 -11.376 390 HB3 CYS 67 HB3 CYS 67 9.253 17.293 -12.685 391 H GLN 68 H GLN 68 8.286 13.657 -11.238 392 HA GLN 68 HA GLN 68 10.646 12.624 -12.614 393 HB2 GLN 68 HB2 GLN 68 9.723 10.414 -12.117 394 HB3 GLN 68 HB3 GLN 68 9.847 11.381 -10.656 395 HG2 GLN 68 HG2 GLN 68 7.299 11.164 -12.221 396 HG3 GLN 68 HG3 GLN 68 7.717 9.998 -10.962 397 HE21 GLN 68 HE21 GLN 68 8.965 12.139 -9.338 398 HE22 GLN 68 HE22 GLN 68 7.642 13.037 -8.692 399 H SER 69 H SER 69 7.907 14.098 -13.539 400 HA SER 69 HA SER 69 6.942 12.216 -15.473 401 HB2 SER 69 HB2 SER 69 5.438 13.853 -14.344 402 HB3 SER 69 HB3 SER 69 6.297 15.160 -15.157 403 HG SER 69 HG SER 69 4.358 13.507 -16.092 404 H CYS 70 H CYS 70 8.804 15.221 -15.468 405 HA CYS 70 HA CYS 70 9.257 14.893 -18.305 406 HB2 CYS 70 HB2 CYS 70 10.201 17.153 -18.191 407 HB3 CYS 70 HB3 CYS 70 8.563 17.067 -17.552 408 H SER 71 H SER 71 11.026 15.002 -15.247 409 HA SER 71 HA SER 71 13.620 14.946 -16.222 410 HB2 SER 71 HB2 SER 71 12.533 13.617 -13.728 411 HB3 SER 71 HB3 SER 71 14.241 13.925 -14.055 412 HG SER 71 HG SER 71 12.259 15.649 -13.217 413 H THR 72 H THR 72 15.158 13.124 -16.333 414 HA THR 72 HA THR 72 13.908 11.117 -17.982 415 HB THR 72 HB THR 72 16.069 12.110 -18.661 416 HG1 THR 72 HG1 THR 72 15.725 10.190 -19.605 417 HG21 THR 72 HG21 THR 72 17.138 12.317 -16.486 418 HG22 THR 72 HG22 THR 72 18.145 11.360 -17.573 419 HG23 THR 72 HG23 THR 72 17.189 10.562 -16.325 420 H ALA 73 H ALA 73 13.527 9.085 -17.661 421 HA ALA 73 HA ALA 73 12.895 8.107 -15.194 422 HB1 ALA 73 HB1 ALA 73 12.031 7.144 -17.227 423 HB2 ALA 73 HB2 ALA 73 12.791 5.889 -16.249 424 HB3 ALA 73 HB3 ALA 73 13.630 6.541 -17.654 425 H CYS 74 H CYS 74 13.932 7.483 -13.557 426 HA CYS 74 HA CYS 74 16.722 7.159 -13.431 427 HB2 CYS 74 HB2 CYS 74 14.532 6.488 -11.486 428 HB3 CYS 74 HB3 CYS 74 16.249 6.332 -11.117 429 H LYS 75 H LYS 75 17.628 5.196 -12.252 430 HA LYS 75 HA LYS 75 16.912 2.869 -13.836 431 HB2 LYS 75 HB2 LYS 75 19.291 2.127 -13.126 432 HB3 LYS 75 HB3 LYS 75 19.079 3.347 -14.370 433 HG2 LYS 75 HG2 LYS 75 19.516 4.142 -11.521 434 HG3 LYS 75 HG3 LYS 75 20.876 3.717 -12.563 435 HD2 LYS 75 HD2 LYS 75 18.798 5.735 -13.343 436 HD3 LYS 75 HD3 LYS 75 20.256 6.195 -12.446 437 HE2 LYS 75 HE2 LYS 75 20.175 4.838 -15.152 438 HE3 LYS 75 HE3 LYS 75 20.481 6.549 -14.881 439 HZ1 LYS 75 HZ1 LYS 75 22.465 5.953 -13.637 440 HZ2 LYS 75 HZ2 LYS 75 22.525 5.347 -15.213 441 HZ3 LYS 75 HZ3 LYS 75 22.176 4.307 -13.928 442 H CYS 76 H CYS 76 16.083 3.920 -10.998 443 HA CYS 76 HA CYS 76 16.836 2.080 -9.067 444 HB2 CYS 76 HB2 CYS 76 14.116 3.329 -9.304 445 HB3 CYS 76 HB3 CYS 76 14.942 2.820 -7.835 446 H ALA 77 H ALA 77 16.448 -0.000 -8.843 447 HA ALA 77 HA ALA 77 13.965 -1.220 -9.421 448 HB1 ALA 77 HB1 ALA 77 14.823 -1.078 -11.705 449 HB2 ALA 77 HB2 ALA 77 14.728 -2.756 -11.168 450 HB3 ALA 77 HB3 ALA 77 16.286 -1.930 -11.217 451 H ALA 78 H ALA 78 13.811 -3.241 -8.481 452 HA ALA 78 HA ALA 78 14.249 -4.881 -6.989 453 HB1 ALA 78 HB1 ALA 78 15.649 -5.659 -8.850 454 HB2 ALA 78 HB2 ALA 78 16.305 -6.135 -7.283 455 HB3 ALA 78 HB3 ALA 78 17.021 -4.787 -8.166 456 H GLY 79 H GLY 79 14.605 -2.179 -6.051 457 HA2 GLY 79 HA2 GLY 79 15.066 -1.376 -3.909 458 HA3 GLY 79 HA3 GLY 79 16.023 -2.815 -3.607 459 H SER 80 H SER 80 16.356 -0.424 -6.206 460 HA SER 80 HA SER 80 19.095 0.040 -5.253 461 HB2 SER 80 HB2 SER 80 18.868 -0.871 -7.559 462 HB3 SER 80 HB3 SER 80 17.963 0.571 -8.013 463 HG SER 80 HG SER 80 19.759 1.767 -7.913 464 H CYS 81 H CYS 81 16.251 1.408 -4.774 465 HA CYS 81 HA CYS 81 16.978 4.133 -5.427 466 HB2 CYS 81 HB2 CYS 81 14.567 2.956 -5.308 467 HB3 CYS 81 HB3 CYS 81 14.653 3.600 -3.674 468 H LYS 82 H LYS 82 18.901 4.021 -4.092 469 HA LYS 82 HA LYS 82 18.891 3.336 -1.337 470 HB2 LYS 82 HB2 LYS 82 21.187 4.091 -1.351 471 HB3 LYS 82 HB3 LYS 82 20.827 3.050 -2.722 472 HG2 LYS 82 HG2 LYS 82 20.706 4.938 -4.193 473 HG3 LYS 82 HG3 LYS 82 20.900 6.050 -2.836 474 HD2 LYS 82 HD2 LYS 82 23.075 4.988 -2.368 475 HD3 LYS 82 HD3 LYS 82 22.879 4.042 -3.841 476 HE2 LYS 82 HE2 LYS 82 22.791 6.086 -5.168 477 HE3 LYS 82 HE3 LYS 82 22.922 7.057 -3.705 478 HZ1 LYS 82 HZ1 LYS 82 25.039 6.879 -4.823 479 HZ2 LYS 82 HZ2 LYS 82 24.980 5.192 -4.742 480 HZ3 LYS 82 HZ3 LYS 82 25.113 6.103 -3.324 481 H CYS 83 H CYS 83 17.382 5.917 -2.443 482 HA CYS 83 HA CYS 83 18.566 7.966 -0.788 483 HB2 CYS 83 HB2 CYS 83 16.582 9.277 -1.547 484 HB3 CYS 83 HB3 CYS 83 17.574 8.633 -2.858 485 H GLY 84 H GLY 84 15.990 5.621 -0.577 486 HA2 GLY 84 HA2 GLY 84 15.458 5.009 1.778 487 HA3 GLY 84 HA3 GLY 84 15.306 6.733 2.080 488 H LYS 85 H LYS 85 14.023 6.743 -0.780 489 HA LYS 85 HA LYS 85 11.326 6.589 0.189 490 HB2 LYS 85 HB2 LYS 85 12.331 6.958 -2.643 491 HB3 LYS 85 HB3 LYS 85 10.687 7.242 -2.089 492 HG2 LYS 85 HG2 LYS 85 13.125 8.752 -1.180 493 HG3 LYS 85 HG3 LYS 85 11.932 9.321 -2.349 494 HD2 LYS 85 HD2 LYS 85 10.270 9.538 -0.726 495 HD3 LYS 85 HD3 LYS 85 11.104 8.476 0.408 496 HE2 LYS 85 HE2 LYS 85 11.309 10.730 1.182 497 HE3 LYS 85 HE3 LYS 85 12.880 10.160 0.614 498 HZ1 LYS 85 HZ1 LYS 85 12.452 12.401 -0.136 499 HZ2 LYS 85 HZ2 LYS 85 11.026 11.915 -0.901 500 HZ3 LYS 85 HZ3 LYS 85 12.517 11.351 -1.458 501 H GLY 86 H GLY 86 13.360 4.736 -1.950 502 HA2 GLY 86 HA2 GLY 86 13.289 2.496 -2.511 503 HA3 GLY 86 HA3 GLY 86 12.057 2.300 -1.277 504 H CYS 87 H CYS 87 11.797 4.495 -3.979 505 HA CYS 87 HA CYS 87 9.263 3.528 -4.735 506 HB2 CYS 87 HB2 CYS 87 11.179 5.182 -6.373 507 HB3 CYS 87 HB3 CYS 87 9.428 5.095 -6.555 508 H THR 88 H THR 88 12.501 2.866 -5.808 509 HA THR 88 HA THR 88 13.418 1.484 -7.341 510 HB THR 88 HB THR 88 12.601 -0.857 -7.332 511 HG1 THR 88 HG1 THR 88 10.270 0.300 -6.676 512 HG21 THR 88 HG21 THR 88 12.618 0.474 -4.623 513 HG22 THR 88 HG22 THR 88 14.031 -0.069 -5.528 514 HG23 THR 88 HG23 THR 88 12.864 -1.246 -4.924 515 H GLY 89 H GLY 89 12.400 3.246 -8.797 516 HA2 GLY 89 HA2 GLY 89 12.157 2.596 -11.284 517 HA3 GLY 89 HA3 GLY 89 10.600 1.975 -10.752 518 HA PRO 90 HA PRO 90 10.824 6.779 -11.677 519 HB2 PRO 90 HB2 PRO 90 9.776 6.728 -14.208 520 HB3 PRO 90 HB3 PRO 90 11.508 6.786 -13.855 521 HG2 PRO 90 HG2 PRO 90 9.784 4.423 -14.513 522 HG3 PRO 90 HG3 PRO 90 11.395 4.834 -15.134 523 HD2 PRO 90 HD2 PRO 90 11.094 3.003 -13.225 524 HD3 PRO 90 HD3 PRO 90 12.453 4.147 -13.176 525 H ASP 91 H ASP 91 8.539 4.225 -12.379 526 HA ASP 91 HA ASP 91 6.216 5.746 -12.705 527 HB2 ASP 91 HB2 ASP 91 6.616 2.915 -11.766 528 HB3 ASP 91 HB3 ASP 91 5.025 3.618 -12.033 529 H SER 92 H SER 92 7.603 4.339 -9.774 530 HA SER 92 HA SER 92 5.539 5.711 -8.208 531 HB2 SER 92 HB2 SER 92 5.796 3.370 -7.646 532 HB3 SER 92 HB3 SER 92 7.533 3.573 -7.415 533 HG SER 92 HG SER 92 6.541 5.321 -5.836 534 H CYS 93 H CYS 93 8.562 6.237 -9.358 535 HA CYS 93 HA CYS 93 9.950 7.281 -7.163 536 HB2 CYS 93 HB2 CYS 93 10.484 6.842 -9.818 537 HB3 CYS 93 HB3 CYS 93 10.488 8.600 -9.715 538 H LYS 94 H LYS 94 9.958 9.220 -6.228 539 HA LYS 94 HA LYS 94 8.264 11.342 -7.362 540 HB2 LYS 94 HB2 LYS 94 8.280 10.407 -4.489 541 HB3 LYS 94 HB3 LYS 94 7.447 11.842 -5.072 542 HG2 LYS 94 HG2 LYS 94 5.984 10.505 -6.431 543 HG3 LYS 94 HG3 LYS 94 6.879 9.043 -6.019 544 HD2 LYS 94 HD2 LYS 94 5.415 10.779 -4.039 545 HD3 LYS 94 HD3 LYS 94 4.765 9.306 -4.758 546 HE2 LYS 94 HE2 LYS 94 6.674 8.048 -3.801 547 HE3 LYS 94 HE3 LYS 94 7.215 9.528 -3.010 548 HZ1 LYS 94 HZ1 LYS 94 5.141 9.596 -1.787 549 HZ2 LYS 94 HZ2 LYS 94 5.936 8.133 -1.512 550 HZ3 LYS 94 HZ3 LYS 94 4.607 8.187 -2.555 551 H CYS 95 H CYS 95 11.171 10.657 -7.057 552 HA CYS 95 HA CYS 95 12.120 12.748 -5.285 553 HB2 CYS 95 HB2 CYS 95 13.701 10.760 -6.893 554 HB3 CYS 95 HB3 CYS 95 14.261 11.732 -5.533 555 H ASP 96 H ASP 96 14.222 13.746 -6.204 556 HA ASP 96 HA ASP 96 13.519 15.000 -8.738 557 HB2 ASP 96 HB2 ASP 96 15.166 16.719 -8.060 558 HB3 ASP 96 HB3 ASP 96 13.842 16.551 -6.921 559 H ARG 97 H ARG 97 15.459 15.659 -10.014 560 HA ARG 97 HA ARG 97 16.915 13.237 -10.583 561 HB2 ARG 97 HB2 ARG 97 17.885 14.609 -12.468 562 HB3 ARG 97 HB3 ARG 97 16.151 14.312 -12.508 563 HG2 ARG 97 HG2 ARG 97 15.647 16.495 -11.978 564 HG3 ARG 97 HG3 ARG 97 17.245 16.799 -11.291 565 HD2 ARG 97 HD2 ARG 97 16.730 16.231 -14.183 566 HD3 ARG 97 HD3 ARG 97 16.835 17.854 -13.528 567 HE ARG 97 HE ARG 97 19.151 16.640 -12.728 568 HH11 ARG 97 HH11 ARG 97 17.601 17.143 -15.835 569 HH12 ARG 97 HH12 ARG 97 19.081 17.161 -16.722 570 HH21 ARG 97 HH21 ARG 97 21.140 16.664 -13.920 571 HH22 ARG 97 HH22 ARG 97 21.093 16.897 -15.630 572 H SER 98 H SER 98 17.441 15.386 -8.325 573 HA SER 98 HA SER 98 20.356 15.321 -8.651 574 HB2 SER 98 HB2 SER 98 19.373 17.614 -8.746 575 HB3 SER 98 HB3 SER 98 18.694 17.362 -7.140 576 HG SER 98 HG SER 98 20.828 17.116 -6.362 577 H CYS 99 H CYS 99 18.149 13.572 -7.388 578 HA CYS 99 HA CYS 99 18.766 13.663 -4.583 579 HB2 CYS 99 HB2 CYS 99 16.495 13.119 -5.605 580 HB3 CYS 99 HB3 CYS 99 17.172 11.541 -5.989 581 H SER 100 H SER 100 18.964 11.293 -3.622 582 HA SER 100 HA SER 100 21.631 10.525 -4.204 583 HB2 SER 100 HB2 SER 100 20.697 10.482 -1.923 584 HB3 SER 100 HB3 SER 100 19.589 9.199 -2.402 585 HG SER 100 HG SER 100 22.424 9.032 -2.498 586 H CYS 101 H CYS 101 18.484 9.212 -5.125 587 HA CYS 101 HA CYS 101 19.448 6.652 -5.889 588 HB2 CYS 101 HB2 CYS 101 17.299 6.462 -7.125 589 HB3 CYS 101 HB3 CYS 101 17.096 6.959 -5.448 590 H LYS 102 H LYS 102 19.380 9.746 -7.434 591 HA LYS 102 HA LYS 102 19.935 8.770 -10.084 592 HB2 LYS 102 HB2 LYS 102 19.806 11.456 -8.784 593 HB3 LYS 102 HB3 LYS 102 20.620 11.303 -10.334 594 HG2 LYS 102 HG2 LYS 102 17.853 10.230 -9.967 595 HG3 LYS 102 HG3 LYS 102 18.134 11.945 -10.267 596 HD2 LYS 102 HD2 LYS 102 19.278 11.441 -12.343 597 HD3 LYS 102 HD3 LYS 102 19.152 9.709 -12.025 598 HE2 LYS 102 HE2 LYS 102 16.762 9.842 -12.199 599 HE3 LYS 102 HE3 LYS 102 16.847 11.595 -12.426 600 HZ1 LYS 102 HZ1 LYS 102 16.590 10.364 -14.503 601 HZ2 LYS 102 HZ2 LYS 102 18.063 9.579 -14.219 602 HZ3 LYS 102 HZ3 LYS 102 18.033 11.249 -14.464 Start of MODEL 16 1 HA2 GLY 1 HA2 GLY 1 19.240 6.867 4.666 2 HA3 GLY 1 HA3 GLY 1 20.470 7.767 3.789 3 H SER 2 H SER 2 19.048 10.283 4.724 4 HA SER 2 HA SER 2 19.802 10.254 7.546 5 HB2 SER 2 HB2 SER 2 20.974 12.457 7.201 6 HB3 SER 2 HB3 SER 2 21.786 11.078 6.462 7 HG SER 2 HG SER 2 20.778 11.682 4.477 8 H MET 3 H MET 3 19.071 12.342 8.629 9 HA MET 3 HA MET 3 16.315 12.729 8.019 10 HB2 MET 3 HB2 MET 3 17.258 12.773 10.331 11 HB3 MET 3 HB3 MET 3 18.053 14.289 9.945 12 HG2 MET 3 HG2 MET 3 15.087 14.036 9.654 13 HG3 MET 3 HG3 MET 3 15.802 14.291 11.241 14 HE1 MET 3 HE1 MET 3 17.445 17.779 10.952 15 HE2 MET 3 HE2 MET 3 18.234 16.219 10.737 16 HE3 MET 3 HE3 MET 3 17.025 16.425 12.003 17 H SER 4 H SER 4 15.631 13.903 6.385 18 HA SER 4 HA SER 4 17.254 15.923 5.171 19 HB2 SER 4 HB2 SER 4 14.355 15.250 4.623 20 HB3 SER 4 HB3 SER 4 15.464 16.112 3.557 21 HG SER 4 HG SER 4 16.614 13.820 4.177 22 H SER 5 H SER 5 17.517 17.755 6.337 23 HA SER 5 HA SER 5 15.357 18.899 7.843 24 HB2 SER 5 HB2 SER 5 17.994 20.205 7.155 25 HB3 SER 5 HB3 SER 5 16.933 20.571 8.514 26 HG SER 5 HG SER 5 17.402 18.083 8.836 27 H VAL 6 H VAL 6 13.985 18.893 5.960 28 HA VAL 6 HA VAL 6 14.487 20.777 3.855 29 HB VAL 6 HB VAL 6 13.321 18.596 3.554 30 HG11 VAL 6 HG11 VAL 6 11.040 19.941 4.983 31 HG12 VAL 6 HG12 VAL 6 11.954 18.537 5.532 32 HG13 VAL 6 HG13 VAL 6 10.933 18.419 4.099 33 HG21 VAL 6 HG21 VAL 6 11.804 21.054 2.704 34 HG22 VAL 6 HG22 VAL 6 11.589 19.446 2.011 35 HG23 VAL 6 HG23 VAL 6 13.136 20.278 1.846 36 H PHE 7 H PHE 7 12.700 20.691 6.833 37 HA PHE 7 HA PHE 7 11.141 23.029 6.267 38 HB2 PHE 7 HB2 PHE 7 10.584 22.852 8.760 39 HB3 PHE 7 HB3 PHE 7 10.089 21.507 7.742 40 HD1 PHE 7 HD1 PHE 7 12.621 22.602 10.210 41 HD2 PHE 7 HD2 PHE 7 10.912 19.318 8.111 42 HE1 PHE 7 HE1 PHE 7 13.828 21.040 11.677 43 HE2 PHE 7 HE2 PHE 7 12.117 17.751 9.575 44 HZ PHE 7 HZ PHE 7 13.577 18.613 11.361 45 H GLY 8 H GLY 8 11.348 25.041 7.206 46 HA2 GLY 8 HA2 GLY 8 14.089 25.799 7.865 47 HA3 GLY 8 HA3 GLY 8 12.756 26.884 7.510 48 H ALA 9 H ALA 9 12.208 28.072 9.176 49 HA ALA 9 HA ALA 9 12.295 26.860 11.859 50 HB1 ALA 9 HB1 ALA 9 12.874 29.047 12.765 51 HB2 ALA 9 HB2 ALA 9 12.839 29.743 11.146 52 HB3 ALA 9 HB3 ALA 9 14.062 28.543 11.563 53 H GLY 10 H GLY 10 10.360 28.005 9.476 54 HA2 GLY 10 HA2 GLY 10 8.083 28.157 11.208 55 HA3 GLY 10 HA3 GLY 10 8.513 29.704 10.493 56 H CYS 11 H CYS 11 8.298 26.319 9.380 57 HA CYS 11 HA CYS 11 7.305 27.202 6.830 58 HB2 CYS 11 HB2 CYS 11 7.639 24.439 8.000 59 HB3 CYS 11 HB3 CYS 11 7.145 24.775 6.344 60 H THR 12 H THR 12 5.307 26.365 5.951 61 HA THR 12 HA THR 12 3.145 26.562 7.841 62 HB THR 12 HB THR 12 1.707 26.312 5.856 63 HG1 THR 12 HG1 THR 12 3.746 26.388 4.002 64 HG21 THR 12 HG21 THR 12 4.017 28.205 5.421 65 HG22 THR 12 HG22 THR 12 2.575 28.525 6.386 66 HG23 THR 12 HG23 THR 12 2.438 28.313 4.639 67 H ASP 13 H ASP 13 1.417 24.851 7.762 68 HA ASP 13 HA ASP 13 2.661 22.244 7.936 69 HB2 ASP 13 HB2 ASP 13 -0.181 23.148 8.417 70 HB3 ASP 13 HB3 ASP 13 0.351 21.477 8.584 71 H VAL 14 H VAL 14 1.560 24.115 5.592 72 HA VAL 14 HA VAL 14 0.319 22.147 3.895 73 HB VAL 14 HB VAL 14 1.260 24.947 3.224 74 HG11 VAL 14 HG11 VAL 14 -0.388 24.849 1.460 75 HG12 VAL 14 HG12 VAL 14 -0.837 23.214 1.947 76 HG13 VAL 14 HG13 VAL 14 0.774 23.533 1.301 77 HG21 VAL 14 HG21 VAL 14 -1.422 24.060 4.276 78 HG22 VAL 14 HG22 VAL 14 -1.048 25.672 3.670 79 HG23 VAL 14 HG23 VAL 14 -0.245 25.066 5.120 80 H CYS 15 H CYS 15 3.430 23.547 4.531 81 HA CYS 15 HA CYS 15 4.764 22.805 2.132 82 HB2 CYS 15 HB2 CYS 15 5.645 24.556 3.587 83 HB3 CYS 15 HB3 CYS 15 5.788 23.417 4.913 84 H LYS 16 H LYS 16 4.111 21.253 5.178 85 HA LYS 16 HA LYS 16 5.947 19.080 4.784 86 HB2 LYS 16 HB2 LYS 16 3.700 19.329 6.780 87 HB3 LYS 16 HB3 LYS 16 5.066 18.221 6.864 88 HG2 LYS 16 HG2 LYS 16 6.592 19.961 7.266 89 HG3 LYS 16 HG3 LYS 16 5.423 21.196 6.800 90 HD2 LYS 16 HD2 LYS 16 4.060 20.130 8.799 91 HD3 LYS 16 HD3 LYS 16 5.684 19.677 9.334 92 HE2 LYS 16 HE2 LYS 16 6.406 21.969 9.255 93 HE3 LYS 16 HE3 LYS 16 4.875 22.456 8.524 94 HZ1 LYS 16 HZ1 LYS 16 3.715 21.940 10.544 95 HZ2 LYS 16 HZ2 LYS 16 5.031 22.922 10.953 96 HZ3 LYS 16 HZ3 LYS 16 5.101 21.261 11.240 97 H GLN 17 H GLN 17 3.091 19.817 3.389 98 HA GLN 17 HA GLN 17 1.799 17.281 3.284 99 HB2 GLN 17 HB2 GLN 17 1.674 19.685 1.464 100 HB3 GLN 17 HB3 GLN 17 0.754 18.225 1.151 101 HG2 GLN 17 HG2 GLN 17 -0.405 18.507 3.285 102 HG3 GLN 17 HG3 GLN 17 0.522 19.977 3.587 103 HE21 GLN 17 HE21 GLN 17 -1.362 21.210 3.680 104 HE22 GLN 17 HE22 GLN 17 -2.266 21.625 2.267 105 H THR 18 H THR 18 1.527 16.187 1.084 106 HA THR 18 HA THR 18 3.849 16.225 -0.618 107 HB THR 18 HB THR 18 3.195 13.690 0.923 108 HG1 THR 18 HG1 THR 18 4.895 15.791 1.394 109 HG21 THR 18 HG21 THR 18 5.165 12.760 -0.212 110 HG22 THR 18 HG22 THR 18 5.375 14.270 -1.098 111 HG23 THR 18 HG23 THR 18 3.952 13.269 -1.389 112 HA PRO 19 HA PRO 19 4.130 16.320 -2.659 113 HB2 PRO 19 HB2 PRO 19 3.009 17.980 -4.486 114 HB3 PRO 19 HB3 PRO 19 3.439 16.306 -4.851 115 HG2 PRO 19 HG2 PRO 19 0.775 17.466 -4.143 116 HG3 PRO 19 HG3 PRO 19 1.179 16.270 -5.388 117 HD2 PRO 19 HD2 PRO 19 0.125 15.577 -2.995 118 HD3 PRO 19 HD3 PRO 19 1.255 14.534 -3.878 119 H CYS 20 H CYS 20 4.799 18.564 -2.587 120 HA CYS 20 HA CYS 20 4.050 19.839 -0.265 121 HB2 CYS 20 HB2 CYS 20 6.145 20.192 -1.592 122 HB3 CYS 20 HB3 CYS 20 5.206 21.213 -2.675 123 H GLY 21 H GLY 21 2.309 20.853 0.288 124 HA2 GLY 21 HA2 GLY 21 0.231 21.288 -1.589 125 HA3 GLY 21 HA3 GLY 21 0.197 21.654 0.128 126 H CYS 22 H CYS 22 2.774 23.294 -0.396 127 HA CYS 22 HA CYS 22 1.538 25.812 -0.506 128 HB2 CYS 22 HB2 CYS 22 4.390 24.998 -1.010 129 HB3 CYS 22 HB3 CYS 22 3.871 26.677 -0.978 130 H ALA 23 H ALA 23 2.512 23.692 -3.040 131 HA ALA 23 HA ALA 23 2.724 25.635 -5.109 132 HB1 ALA 23 HB1 ALA 23 2.763 23.745 -6.621 133 HB2 ALA 23 HB2 ALA 23 2.193 22.678 -5.337 134 HB3 ALA 23 HB3 ALA 23 3.789 23.422 -5.222 135 H THR 24 H THR 24 0.039 23.979 -3.646 136 HA THR 24 HA THR 24 -1.711 25.072 -5.751 137 HB THR 24 HB THR 24 -1.661 22.611 -5.854 138 HG1 THR 24 HG1 THR 24 -4.017 23.967 -5.098 139 HG21 THR 24 HG21 THR 24 -2.594 21.267 -4.019 140 HG22 THR 24 HG22 THR 24 -2.738 22.721 -3.031 141 HG23 THR 24 HG23 THR 24 -1.145 22.134 -3.509 142 H SER 25 H SER 25 -0.895 25.285 -2.516 143 HA SER 25 HA SER 25 -3.526 26.427 -1.876 144 HB2 SER 25 HB2 SER 25 -3.187 24.335 -0.658 145 HB3 SER 25 HB3 SER 25 -1.655 24.934 -0.030 146 HG SER 25 HG SER 25 -3.045 26.727 0.830 147 H GLY 26 H GLY 26 -0.462 27.273 -2.558 148 HA2 GLY 26 HA2 GLY 26 0.378 29.444 -2.402 149 HA3 GLY 26 HA3 GLY 26 -0.742 29.761 -1.085 150 H CYS 27 H CYS 27 2.156 30.202 -1.375 151 HA CYS 27 HA CYS 27 3.217 28.506 0.763 152 HB2 CYS 27 HB2 CYS 27 4.643 28.678 -1.181 153 HB3 CYS 27 HB3 CYS 27 4.564 30.433 -1.134 154 H ASN 28 H ASN 28 4.219 29.434 2.611 155 HA ASN 28 HA ASN 28 4.007 32.276 3.093 156 HB2 ASN 28 HB2 ASN 28 1.710 31.384 3.622 157 HB3 ASN 28 HB3 ASN 28 2.435 30.378 4.866 158 HD21 ASN 28 HD21 ASN 28 2.823 31.243 6.840 159 HD22 ASN 28 HD22 ASN 28 2.512 32.889 7.258 160 H CYS 29 H CYS 29 5.898 29.842 3.108 161 HA CYS 29 HA CYS 29 6.798 29.592 5.809 162 HB2 CYS 29 HB2 CYS 29 8.204 28.874 3.238 163 HB3 CYS 29 HB3 CYS 29 8.657 28.341 4.852 164 H THR 30 H THR 30 8.955 30.196 6.528 165 HA THR 30 HA THR 30 9.581 32.898 5.752 166 HB THR 30 HB THR 30 11.246 32.773 7.603 167 HG1 THR 30 HG1 THR 30 11.738 30.928 8.480 168 HG21 THR 30 HG21 THR 30 8.956 33.506 8.069 169 HG22 THR 30 HG22 THR 30 9.616 32.603 9.433 170 HG23 THR 30 HG23 THR 30 8.469 31.832 8.336 171 H ASP 31 H ASP 31 12.116 33.340 5.692 172 HA ASP 31 HA ASP 31 13.038 32.086 3.316 173 HB2 ASP 31 HB2 ASP 31 14.382 33.971 5.236 174 HB3 ASP 31 HB3 ASP 31 15.170 33.363 3.786 175 H ASP 32 H ASP 32 13.217 31.160 6.528 176 HA ASP 32 HA ASP 32 15.721 29.829 6.558 177 HB2 ASP 32 HB2 ASP 32 13.278 29.093 8.165 178 HB3 ASP 32 HB3 ASP 32 14.960 28.799 8.582 179 H CYS 33 H CYS 33 12.704 29.188 5.140 180 HA CYS 33 HA CYS 33 12.499 26.421 5.160 181 HB2 CYS 33 HB2 CYS 33 10.722 27.907 4.384 182 HB3 CYS 33 HB3 CYS 33 11.696 28.368 2.994 183 H LYS 34 H LYS 34 13.638 24.846 4.263 184 HA LYS 34 HA LYS 34 15.590 25.535 2.188 185 HB2 LYS 34 HB2 LYS 34 15.650 23.290 4.217 186 HB3 LYS 34 HB3 LYS 34 16.888 23.624 3.014 187 HG2 LYS 34 HG2 LYS 34 17.261 25.837 4.106 188 HG3 LYS 34 HG3 LYS 34 16.131 25.352 5.369 189 HD2 LYS 34 HD2 LYS 34 18.502 24.990 6.016 190 HD3 LYS 34 HD3 LYS 34 17.574 23.486 5.983 191 HE2 LYS 34 HE2 LYS 34 18.480 22.908 3.840 192 HE3 LYS 34 HE3 LYS 34 19.268 24.477 3.705 193 HZ1 LYS 34 HZ1 LYS 34 20.841 22.789 4.325 194 HZ2 LYS 34 HZ2 LYS 34 19.906 22.328 5.653 195 HZ3 LYS 34 HZ3 LYS 34 20.643 23.849 5.626 196 H CYS 35 H CYS 35 12.706 24.752 1.857 197 HA CYS 35 HA CYS 35 12.815 22.040 0.884 198 HB2 CYS 35 HB2 CYS 35 10.792 23.043 2.029 199 HB3 CYS 35 HB3 CYS 35 10.540 24.008 0.581 200 H GLN 36 H GLN 36 12.441 21.410 -1.251 201 HA GLN 36 HA GLN 36 13.299 23.389 -3.266 202 HB2 GLN 36 HB2 GLN 36 13.428 20.359 -3.323 203 HB3 GLN 36 HB3 GLN 36 13.942 21.408 -4.632 204 HG2 GLN 36 HG2 GLN 36 15.172 21.862 -1.981 205 HG3 GLN 36 HG3 GLN 36 15.618 20.388 -2.833 206 HE21 GLN 36 HE21 GLN 36 14.800 23.362 -4.507 207 HE22 GLN 36 HE22 GLN 36 16.391 23.690 -5.078 208 H SER 37 H SER 37 10.557 22.535 -2.092 209 HA SER 37 HA SER 37 9.268 21.728 -4.595 210 HB2 SER 37 HB2 SER 37 8.003 21.757 -1.868 211 HB3 SER 37 HB3 SER 37 7.480 20.878 -3.304 212 HG SER 37 HG SER 37 8.832 19.862 -1.446 213 H CYS 38 H CYS 38 8.722 23.998 -1.869 214 HA CYS 38 HA CYS 38 6.658 25.327 -3.401 215 HB2 CYS 38 HB2 CYS 38 6.460 26.714 -1.344 216 HB3 CYS 38 HB3 CYS 38 6.286 24.985 -1.051 217 H LYS 39 H LYS 39 9.907 25.415 -3.297 218 HA LYS 39 HA LYS 39 10.083 28.304 -3.677 219 HB2 LYS 39 HB2 LYS 39 12.348 26.376 -3.220 220 HB3 LYS 39 HB3 LYS 39 12.391 28.128 -3.076 221 HG2 LYS 39 HG2 LYS 39 11.011 26.164 -1.244 222 HG3 LYS 39 HG3 LYS 39 12.413 27.162 -0.876 223 HD2 LYS 39 HD2 LYS 39 9.600 28.136 -1.399 224 HD3 LYS 39 HD3 LYS 39 10.410 28.079 0.162 225 HE2 LYS 39 HE2 LYS 39 12.138 29.610 -0.769 226 HE3 LYS 39 HE3 LYS 39 11.133 29.764 -2.209 227 HZ1 LYS 39 HZ1 LYS 39 10.279 30.480 0.543 228 HZ2 LYS 39 HZ2 LYS 39 9.372 30.695 -0.863 229 HZ3 LYS 39 HZ3 LYS 39 10.793 31.581 -0.622 230 H TYR 40 H TYR 40 9.005 26.843 -5.773 231 HA TYR 40 HA TYR 40 10.638 25.907 -7.784 232 HB2 TYR 40 HB2 TYR 40 8.209 27.686 -8.075 233 HB3 TYR 40 HB3 TYR 40 8.954 26.795 -9.392 234 HD1 TYR 40 HD1 TYR 40 6.561 26.711 -6.756 235 HD2 TYR 40 HD2 TYR 40 9.008 24.238 -9.201 236 HE1 TYR 40 HE1 TYR 40 5.104 24.797 -6.264 237 HE2 TYR 40 HE2 TYR 40 7.558 22.312 -8.715 238 HH TYR 40 HH TYR 40 5.962 21.578 -7.073 239 H GLY 41 H GLY 41 11.826 26.815 -9.462 240 HA2 GLY 41 HA2 GLY 41 12.125 29.118 -10.592 241 HA3 GLY 41 HA3 GLY 41 12.646 29.588 -8.981 242 H ALA 42 H ALA 42 13.795 26.782 -8.700 243 HA ALA 42 HA ALA 42 16.185 27.206 -10.367 244 HB1 ALA 42 HB1 ALA 42 16.189 26.384 -7.468 245 HB2 ALA 42 HB2 ALA 42 16.539 28.008 -8.061 246 HB3 ALA 42 HB3 ALA 42 17.598 26.666 -8.489 247 H GLY 43 H GLY 43 13.807 25.286 -10.407 248 HA2 GLY 43 HA2 GLY 43 15.405 22.869 -10.711 249 HA3 GLY 43 HA3 GLY 43 14.021 22.801 -9.648 250 H CYS 44 H CYS 44 12.603 24.644 -11.522 251 HA CYS 44 HA CYS 44 11.749 22.545 -13.407 252 HB2 CYS 44 HB2 CYS 44 10.047 24.568 -11.930 253 HB3 CYS 44 HB3 CYS 44 9.450 23.540 -13.222 254 H THR 45 H THR 45 10.088 23.725 -14.998 255 HA THR 45 HA THR 45 11.110 26.283 -15.916 256 HB THR 45 HB THR 45 12.386 24.543 -17.175 257 HG1 THR 45 HG1 THR 45 11.788 25.369 -19.272 258 HG21 THR 45 HG21 THR 45 11.193 23.126 -18.797 259 HG22 THR 45 HG22 THR 45 9.654 23.712 -18.166 260 HG23 THR 45 HG23 THR 45 10.719 22.752 -17.140 261 H ASP 46 H ASP 46 9.606 26.975 -17.843 262 HA ASP 46 HA ASP 46 6.967 27.013 -16.784 263 HB2 ASP 46 HB2 ASP 46 6.368 28.436 -18.579 264 HB3 ASP 46 HB3 ASP 46 8.038 28.833 -18.203 265 H THR 47 H THR 47 8.550 24.922 -18.950 266 HA THR 47 HA THR 47 6.293 23.904 -20.337 267 HB THR 47 HB THR 47 8.812 22.330 -19.925 268 HG1 THR 47 HG1 THR 47 9.001 24.121 -21.971 269 HG21 THR 47 HG21 THR 47 8.488 21.868 -22.323 270 HG22 THR 47 HG22 THR 47 7.071 22.919 -22.327 271 HG23 THR 47 HG23 THR 47 7.065 21.431 -21.380 272 H CYS 48 H CYS 48 7.651 23.396 -17.230 273 HA CYS 48 HA CYS 48 6.408 20.777 -16.871 274 HB2 CYS 48 HB2 CYS 48 8.724 21.141 -16.061 275 HB3 CYS 48 HB3 CYS 48 8.138 22.407 -14.992 276 H LYS 49 H LYS 49 5.602 23.995 -16.550 277 HA LYS 49 HA LYS 49 3.992 23.775 -14.146 278 HB2 LYS 49 HB2 LYS 49 3.795 26.016 -16.138 279 HB3 LYS 49 HB3 LYS 49 3.517 26.049 -14.404 280 HG2 LYS 49 HG2 LYS 49 6.171 25.697 -15.740 281 HG3 LYS 49 HG3 LYS 49 5.570 27.204 -15.040 282 HD2 LYS 49 HD2 LYS 49 5.735 24.714 -13.411 283 HD3 LYS 49 HD3 LYS 49 7.181 25.680 -13.676 284 HE2 LYS 49 HE2 LYS 49 6.236 26.380 -11.599 285 HE3 LYS 49 HE3 LYS 49 5.921 27.651 -12.773 286 HZ1 LYS 49 HZ1 LYS 49 3.655 26.910 -12.968 287 HZ2 LYS 49 HZ2 LYS 49 4.013 27.143 -11.339 288 HZ3 LYS 49 HZ3 LYS 49 3.950 25.580 -11.964 289 H GLN 50 H GLN 50 3.632 22.699 -17.208 290 HA GLN 50 HA GLN 50 0.920 23.473 -17.684 291 HB2 GLN 50 HB2 GLN 50 2.301 21.199 -19.054 292 HB3 GLN 50 HB3 GLN 50 1.072 22.292 -19.682 293 HG2 GLN 50 HG2 GLN 50 2.943 24.083 -19.209 294 HG3 GLN 50 HG3 GLN 50 3.987 22.678 -19.393 295 HE21 GLN 50 HE21 GLN 50 3.876 24.949 -21.025 296 HE22 GLN 50 HE22 GLN 50 3.405 24.434 -22.611 297 H THR 51 H THR 51 -0.390 21.296 -18.479 298 HA THR 51 HA THR 51 -0.416 19.469 -16.191 299 HB THR 51 HB THR 51 -2.947 20.633 -17.356 300 HG1 THR 51 HG1 THR 51 -1.692 22.304 -16.369 301 HG21 THR 51 HG21 THR 51 -3.913 19.818 -15.240 302 HG22 THR 51 HG22 THR 51 -2.335 19.188 -14.773 303 HG23 THR 51 HG23 THR 51 -3.176 18.509 -16.164 304 HA PRO 52 HA PRO 52 -0.350 17.528 -15.755 305 HB2 PRO 52 HB2 PRO 52 1.205 15.393 -16.402 306 HB3 PRO 52 HB3 PRO 52 -0.535 15.260 -16.117 307 HG2 PRO 52 HG2 PRO 52 0.954 15.432 -18.712 308 HG3 PRO 52 HG3 PRO 52 -0.397 14.374 -18.268 309 HD2 PRO 52 HD2 PRO 52 -0.739 16.615 -19.741 310 HD3 PRO 52 HD3 PRO 52 -1.971 16.038 -18.600 311 H CYS 53 H CYS 53 1.643 17.443 -18.695 312 HA CYS 53 HA CYS 53 3.433 19.423 -17.719 313 HB2 CYS 53 HB2 CYS 53 4.213 17.333 -16.549 314 HB3 CYS 53 HB3 CYS 53 4.563 16.647 -18.125 315 H GLY 54 H GLY 54 4.879 20.131 -19.397 316 HA2 GLY 54 HA2 GLY 54 4.073 19.127 -22.039 317 HA3 GLY 54 HA3 GLY 54 4.649 20.757 -21.713 318 H CYS 55 H CYS 55 6.619 19.019 -19.859 319 HA CYS 55 HA CYS 55 8.801 19.272 -21.619 320 HB2 CYS 55 HB2 CYS 55 8.496 17.868 -18.981 321 HB3 CYS 55 HB3 CYS 55 10.040 18.111 -19.789 322 H GLY 56 H GLY 56 7.777 16.307 -19.944 323 HA2 GLY 56 HA2 GLY 56 7.852 14.103 -20.588 324 HA3 GLY 56 HA3 GLY 56 7.476 14.681 -22.207 325 H SER 57 H SER 57 8.965 14.397 -23.725 326 HA SER 57 HA SER 57 11.637 13.542 -22.914 327 HB2 SER 57 HB2 SER 57 10.338 12.148 -24.534 328 HB3 SER 57 HB3 SER 57 10.361 13.498 -25.665 329 HG SER 57 HG SER 57 12.541 13.282 -25.896 330 H GLY 58 H GLY 58 10.089 16.322 -23.657 331 HA2 GLY 58 HA2 GLY 58 12.522 17.559 -24.795 332 HA3 GLY 58 HA3 GLY 58 10.891 18.116 -25.160 333 H CYS 59 H CYS 59 12.865 17.383 -22.346 334 HA CYS 59 HA CYS 59 11.424 19.274 -20.736 335 HB2 CYS 59 HB2 CYS 59 12.017 17.274 -19.672 336 HB3 CYS 59 HB3 CYS 59 13.690 17.374 -20.215 337 H ASN 60 H ASN 60 12.211 21.097 -19.777 338 HA ASN 60 HA ASN 60 14.819 22.126 -20.664 339 HB2 ASN 60 HB2 ASN 60 12.166 23.579 -20.813 340 HB3 ASN 60 HB3 ASN 60 13.713 24.408 -20.879 341 HD21 ASN 60 HD21 ASN 60 14.970 22.264 -22.446 342 HD22 ASN 60 HD22 ASN 60 14.333 22.426 -24.042 343 H CYS 61 H CYS 61 13.679 20.966 -18.138 344 HA CYS 61 HA CYS 61 13.349 23.118 -16.287 345 HB2 CYS 61 HB2 CYS 61 13.544 20.163 -16.083 346 HB3 CYS 61 HB3 CYS 61 13.837 21.116 -14.630 347 H LYS 62 H LYS 62 14.774 22.556 -14.119 348 HA LYS 62 HA LYS 62 17.428 23.453 -14.945 349 HB2 LYS 62 HB2 LYS 62 15.971 23.667 -12.313 350 HB3 LYS 62 HB3 LYS 62 17.558 24.331 -12.598 351 HG2 LYS 62 HG2 LYS 62 15.207 25.177 -14.262 352 HG3 LYS 62 HG3 LYS 62 15.507 25.894 -12.685 353 HD2 LYS 62 HD2 LYS 62 16.449 27.302 -14.443 354 HD3 LYS 62 HD3 LYS 62 17.743 26.622 -13.462 355 HE2 LYS 62 HE2 LYS 62 18.289 25.053 -15.131 356 HE3 LYS 62 HE3 LYS 62 16.827 25.423 -16.052 357 HZ1 LYS 62 HZ1 LYS 62 17.714 27.599 -16.529 358 HZ2 LYS 62 HZ2 LYS 62 18.846 26.431 -16.991 359 HZ3 LYS 62 HZ3 LYS 62 19.070 27.307 -15.564 360 H GLU 63 H GLU 63 16.178 21.733 -12.120 361 HA GLU 63 HA GLU 63 17.429 19.280 -12.602 362 HB2 GLU 63 HB2 GLU 63 19.557 20.305 -12.200 363 HB3 GLU 63 HB3 GLU 63 18.948 21.129 -10.767 364 HG2 GLU 63 HG2 GLU 63 18.578 18.917 -9.711 365 HG3 GLU 63 HG3 GLU 63 19.337 18.167 -11.111 366 H ASP 64 H ASP 64 16.663 21.576 -10.055 367 HA ASP 64 HA ASP 64 15.875 19.611 -8.187 368 HB2 ASP 64 HB2 ASP 64 15.630 22.596 -8.348 369 HB3 ASP 64 HB3 ASP 64 15.042 21.694 -6.969 370 H CYS 65 H CYS 65 14.550 18.844 -10.230 371 HA CYS 65 HA CYS 65 11.806 19.861 -10.059 372 HB2 CYS 65 HB2 CYS 65 12.689 19.829 -12.300 373 HB3 CYS 65 HB3 CYS 65 13.228 18.164 -12.112 374 H ARG 66 H ARG 66 10.211 18.588 -9.295 375 HA ARG 66 HA ARG 66 11.004 15.967 -8.215 376 HB2 ARG 66 HB2 ARG 66 8.838 17.893 -7.389 377 HB3 ARG 66 HB3 ARG 66 9.035 16.283 -6.706 378 HG2 ARG 66 HG2 ARG 66 11.192 16.849 -5.867 379 HG3 ARG 66 HG3 ARG 66 11.127 18.435 -6.642 380 HD2 ARG 66 HD2 ARG 66 9.301 19.068 -5.209 381 HD3 ARG 66 HD3 ARG 66 9.243 17.447 -4.516 382 HE ARG 66 HE ARG 66 11.126 19.536 -3.922 383 HH11 ARG 66 HH11 ARG 66 10.383 16.123 -3.689 384 HH12 ARG 66 HH12 ARG 66 11.606 15.796 -2.512 385 HH21 ARG 66 HH21 ARG 66 12.754 19.094 -2.319 386 HH22 ARG 66 HH22 ARG 66 12.947 17.480 -1.734 387 H CYS 67 H CYS 67 9.978 16.723 -10.943 388 HA CYS 67 HA CYS 67 7.463 15.257 -10.964 389 HB2 CYS 67 HB2 CYS 67 7.600 17.421 -12.136 390 HB3 CYS 67 HB3 CYS 67 8.844 16.749 -13.186 391 H GLN 68 H GLN 68 7.296 13.246 -11.713 392 HA GLN 68 HA GLN 68 9.725 11.878 -12.559 393 HB2 GLN 68 HB2 GLN 68 8.326 9.812 -12.389 394 HB3 GLN 68 HB3 GLN 68 8.432 10.722 -10.891 395 HG2 GLN 68 HG2 GLN 68 6.138 11.461 -12.547 396 HG3 GLN 68 HG3 GLN 68 6.128 9.777 -12.032 397 HE21 GLN 68 HE21 GLN 68 7.690 12.186 -10.087 398 HE22 GLN 68 HE22 GLN 68 6.521 12.221 -8.821 399 H SER 69 H SER 69 7.667 13.689 -14.190 400 HA SER 69 HA SER 69 7.059 11.851 -16.337 401 HB2 SER 69 HB2 SER 69 5.443 13.629 -15.523 402 HB3 SER 69 HB3 SER 69 6.523 14.824 -16.233 403 HG SER 69 HG SER 69 5.045 12.790 -17.522 404 H CYS 70 H CYS 70 9.058 14.713 -15.733 405 HA CYS 70 HA CYS 70 10.196 14.332 -18.380 406 HB2 CYS 70 HB2 CYS 70 10.988 16.669 -18.171 407 HB3 CYS 70 HB3 CYS 70 9.249 16.465 -18.082 408 H SER 71 H SER 71 11.044 14.217 -15.005 409 HA SER 71 HA SER 71 13.829 14.431 -15.263 410 HB2 SER 71 HB2 SER 71 12.203 12.830 -13.271 411 HB3 SER 71 HB3 SER 71 13.929 13.164 -13.123 412 HG SER 71 HG SER 71 11.752 14.818 -12.702 413 H THR 72 H THR 72 15.449 12.837 -15.462 414 HA THR 72 HA THR 72 14.819 10.882 -17.423 415 HB THR 72 HB THR 72 17.021 12.045 -17.317 416 HG1 THR 72 HG1 THR 72 17.791 10.393 -18.380 417 HG21 THR 72 HG21 THR 72 17.383 11.948 -14.898 418 HG22 THR 72 HG22 THR 72 18.732 11.216 -15.768 419 HG23 THR 72 HG23 THR 72 17.528 10.192 -14.986 420 H ALA 73 H ALA 73 15.825 8.594 -17.164 421 HA ALA 73 HA ALA 73 14.117 7.241 -15.347 422 HB1 ALA 73 HB1 ALA 73 14.662 6.306 -17.531 423 HB2 ALA 73 HB2 ALA 73 15.103 5.197 -16.235 424 HB3 ALA 73 HB3 ALA 73 16.349 6.144 -17.047 425 H CYS 74 H CYS 74 14.465 7.146 -13.283 426 HA CYS 74 HA CYS 74 16.870 7.448 -11.910 427 HB2 CYS 74 HB2 CYS 74 14.244 7.204 -11.210 428 HB3 CYS 74 HB3 CYS 74 14.862 5.639 -10.697 429 H LYS 75 H LYS 75 18.405 5.976 -11.208 430 HA LYS 75 HA LYS 75 18.696 3.642 -12.874 431 HB2 LYS 75 HB2 LYS 75 20.465 4.968 -10.864 432 HB3 LYS 75 HB3 LYS 75 20.875 3.382 -11.505 433 HG2 LYS 75 HG2 LYS 75 20.335 5.797 -13.209 434 HG3 LYS 75 HG3 LYS 75 21.944 5.274 -12.701 435 HD2 LYS 75 HD2 LYS 75 21.816 3.292 -13.949 436 HD3 LYS 75 HD3 LYS 75 20.068 3.407 -14.135 437 HE2 LYS 75 HE2 LYS 75 22.067 5.312 -15.358 438 HE3 LYS 75 HE3 LYS 75 21.309 3.966 -16.209 439 HZ1 LYS 75 HZ1 LYS 75 19.142 5.013 -15.806 440 HZ2 LYS 75 HZ2 LYS 75 20.157 6.019 -16.694 441 HZ3 LYS 75 HZ3 LYS 75 19.898 6.325 -15.056 442 H CYS 76 H CYS 76 16.557 3.399 -11.023 443 HA CYS 76 HA CYS 76 17.477 1.117 -9.405 444 HB2 CYS 76 HB2 CYS 76 14.795 2.320 -9.060 445 HB3 CYS 76 HB3 CYS 76 15.896 1.652 -7.858 446 H ALA 77 H ALA 77 15.967 -0.730 -9.329 447 HA ALA 77 HA ALA 77 13.805 -1.013 -11.140 448 HB1 ALA 77 HB1 ALA 77 15.548 -0.982 -12.836 449 HB2 ALA 77 HB2 ALA 77 14.850 -2.600 -12.716 450 HB3 ALA 77 HB3 ALA 77 16.419 -2.255 -11.982 451 H ALA 78 H ALA 78 12.599 -2.738 -10.566 452 HA ALA 78 HA ALA 78 11.868 -4.470 -9.290 453 HB1 ALA 78 HB1 ALA 78 13.082 -6.553 -9.584 454 HB2 ALA 78 HB2 ALA 78 14.516 -5.667 -10.102 455 HB3 ALA 78 HB3 ALA 78 13.057 -5.642 -11.093 456 H GLY 79 H GLY 79 12.431 -2.776 -7.493 457 HA2 GLY 79 HA2 GLY 79 12.799 -2.654 -5.214 458 HA3 GLY 79 HA3 GLY 79 13.314 -4.328 -5.265 459 H SER 80 H SER 80 15.105 -2.415 -7.442 460 HA SER 80 HA SER 80 17.332 -2.539 -5.603 461 HB2 SER 80 HB2 SER 80 17.230 -2.157 -8.583 462 HB3 SER 80 HB3 SER 80 18.701 -2.239 -7.632 463 HG SER 80 HG SER 80 16.880 -4.295 -7.265 464 H CYS 81 H CYS 81 16.133 -0.656 -4.587 465 HA CYS 81 HA CYS 81 17.294 1.826 -5.639 466 HB2 CYS 81 HB2 CYS 81 14.866 1.923 -5.522 467 HB3 CYS 81 HB3 CYS 81 14.916 1.404 -3.839 468 H LYS 82 H LYS 82 18.246 3.194 -3.843 469 HA LYS 82 HA LYS 82 18.870 1.530 -1.496 470 HB2 LYS 82 HB2 LYS 82 21.144 2.063 -1.542 471 HB3 LYS 82 HB3 LYS 82 20.711 1.542 -3.164 472 HG2 LYS 82 HG2 LYS 82 21.018 3.601 -4.059 473 HG3 LYS 82 HG3 LYS 82 20.606 4.435 -2.556 474 HD2 LYS 82 HD2 LYS 82 22.928 4.726 -2.873 475 HD3 LYS 82 HD3 LYS 82 22.711 3.519 -1.601 476 HE2 LYS 82 HE2 LYS 82 23.152 1.728 -3.158 477 HE3 LYS 82 HE3 LYS 82 23.243 2.874 -4.495 478 HZ1 LYS 82 HZ1 LYS 82 25.179 3.886 -3.394 479 HZ2 LYS 82 HZ2 LYS 82 25.447 2.272 -3.794 480 HZ3 LYS 82 HZ3 LYS 82 25.114 2.698 -2.194 481 H CYS 83 H CYS 83 17.643 4.496 -2.461 482 HA CYS 83 HA CYS 83 18.897 6.072 -0.388 483 HB2 CYS 83 HB2 CYS 83 17.338 7.817 -0.960 484 HB3 CYS 83 HB3 CYS 83 18.021 7.133 -2.435 485 H GLY 84 H GLY 84 16.086 4.058 -0.662 486 HA2 GLY 84 HA2 GLY 84 15.336 3.142 1.502 487 HA3 GLY 84 HA3 GLY 84 15.390 4.791 2.106 488 H LYS 85 H LYS 85 14.293 5.523 -0.710 489 HA LYS 85 HA LYS 85 11.522 5.498 0.103 490 HB2 LYS 85 HB2 LYS 85 12.770 6.462 -2.475 491 HB3 LYS 85 HB3 LYS 85 11.124 6.776 -1.948 492 HG2 LYS 85 HG2 LYS 85 13.590 7.687 -0.500 493 HG3 LYS 85 HG3 LYS 85 12.653 8.672 -1.620 494 HD2 LYS 85 HD2 LYS 85 11.468 7.408 0.862 495 HD3 LYS 85 HD3 LYS 85 12.138 9.039 0.838 496 HE2 LYS 85 HE2 LYS 85 9.891 8.072 -0.937 497 HE3 LYS 85 HE3 LYS 85 9.675 8.986 0.553 498 HZ1 LYS 85 HZ1 LYS 85 11.134 9.936 -1.857 499 HZ2 LYS 85 HZ2 LYS 85 10.941 10.798 -0.423 500 HZ3 LYS 85 HZ3 LYS 85 9.592 10.437 -1.369 501 H GLY 86 H GLY 86 13.457 4.088 -2.480 502 HA2 GLY 86 HA2 GLY 86 13.118 1.977 -3.411 503 HA3 GLY 86 HA3 GLY 86 11.520 1.937 -2.686 504 H CYS 87 H CYS 87 13.147 4.214 -4.900 505 HA CYS 87 HA CYS 87 10.830 4.724 -6.422 506 HB2 CYS 87 HB2 CYS 87 13.657 4.872 -7.469 507 HB3 CYS 87 HB3 CYS 87 12.246 5.760 -8.043 508 H THR 88 H THR 88 13.464 2.453 -6.925 509 HA THR 88 HA THR 88 13.745 0.625 -8.233 510 HB THR 88 HB THR 88 11.871 -0.932 -8.421 511 HG1 THR 88 HG1 THR 88 10.399 1.362 -8.191 512 HG21 THR 88 HG21 THR 88 11.925 0.512 -5.775 513 HG22 THR 88 HG22 THR 88 13.041 -0.752 -6.291 514 HG23 THR 88 HG23 THR 88 11.337 -1.128 -6.044 515 H GLY 89 H GLY 89 13.294 3.139 -9.612 516 HA2 GLY 89 HA2 GLY 89 13.601 3.098 -12.101 517 HA3 GLY 89 HA3 GLY 89 12.166 2.086 -12.137 518 HA PRO 90 HA PRO 90 11.163 6.704 -12.513 519 HB2 PRO 90 HB2 PRO 90 10.320 6.699 -15.081 520 HB3 PRO 90 HB3 PRO 90 12.014 6.948 -14.638 521 HG2 PRO 90 HG2 PRO 90 10.652 4.437 -15.549 522 HG3 PRO 90 HG3 PRO 90 12.205 5.115 -16.082 523 HD2 PRO 90 HD2 PRO 90 12.030 3.112 -14.297 524 HD3 PRO 90 HD3 PRO 90 13.300 4.348 -14.203 525 H ASP 91 H ASP 91 9.633 3.696 -13.121 526 HA ASP 91 HA ASP 91 6.995 4.660 -13.612 527 HB2 ASP 91 HB2 ASP 91 6.316 2.347 -13.426 528 HB3 ASP 91 HB3 ASP 91 7.811 2.433 -14.351 529 H SER 92 H SER 92 8.783 3.648 -10.753 530 HA SER 92 HA SER 92 6.430 4.359 -9.131 531 HB2 SER 92 HB2 SER 92 8.717 2.508 -8.400 532 HB3 SER 92 HB3 SER 92 7.309 2.861 -7.399 533 HG SER 92 HG SER 92 7.199 1.673 -9.993 534 H CYS 93 H CYS 93 8.957 5.733 -10.291 535 HA CYS 93 HA CYS 93 10.306 6.778 -8.014 536 HB2 CYS 93 HB2 CYS 93 11.437 6.623 -10.147 537 HB3 CYS 93 HB3 CYS 93 10.223 7.666 -10.885 538 H LYS 94 H LYS 94 9.983 8.646 -6.986 539 HA LYS 94 HA LYS 94 8.069 10.595 -7.956 540 HB2 LYS 94 HB2 LYS 94 7.700 8.993 -5.431 541 HB3 LYS 94 HB3 LYS 94 6.972 10.580 -5.635 542 HG2 LYS 94 HG2 LYS 94 5.673 9.823 -7.489 543 HG3 LYS 94 HG3 LYS 94 6.534 8.284 -7.517 544 HD2 LYS 94 HD2 LYS 94 4.923 9.219 -5.157 545 HD3 LYS 94 HD3 LYS 94 4.237 8.259 -6.467 546 HE2 LYS 94 HE2 LYS 94 5.940 6.520 -6.031 547 HE3 LYS 94 HE3 LYS 94 6.524 7.468 -4.666 548 HZ1 LYS 94 HZ1 LYS 94 4.378 7.236 -3.613 549 HZ2 LYS 94 HZ2 LYS 94 4.990 5.704 -3.996 550 HZ3 LYS 94 HZ3 LYS 94 3.776 6.390 -4.946 551 H CYS 95 H CYS 95 10.917 10.553 -7.571 552 HA CYS 95 HA CYS 95 11.133 12.459 -5.336 553 HB2 CYS 95 HB2 CYS 95 13.339 11.757 -4.878 554 HB3 CYS 95 HB3 CYS 95 12.434 10.270 -5.122 555 H ASP 96 H ASP 96 13.568 13.532 -5.865 556 HA ASP 96 HA ASP 96 13.118 14.899 -8.417 557 HB2 ASP 96 HB2 ASP 96 14.334 16.820 -7.366 558 HB3 ASP 96 HB3 ASP 96 12.778 16.458 -6.648 559 H ARG 97 H ARG 97 15.212 15.995 -9.161 560 HA ARG 97 HA ARG 97 17.044 13.889 -9.709 561 HB2 ARG 97 HB2 ARG 97 17.416 16.827 -10.280 562 HB3 ARG 97 HB3 ARG 97 18.272 15.494 -11.043 563 HG2 ARG 97 HG2 ARG 97 16.122 14.716 -11.988 564 HG3 ARG 97 HG3 ARG 97 15.355 16.117 -11.252 565 HD2 ARG 97 HD2 ARG 97 15.987 16.287 -13.714 566 HD3 ARG 97 HD3 ARG 97 16.418 17.617 -12.659 567 HE ARG 97 HE ARG 97 18.563 15.770 -12.868 568 HH11 ARG 97 HH11 ARG 97 16.894 18.253 -14.706 569 HH12 ARG 97 HH12 ARG 97 18.279 18.705 -15.633 570 HH21 ARG 97 HH21 ARG 97 20.430 16.375 -14.101 571 HH22 ARG 97 HH22 ARG 97 20.300 17.635 -15.279 572 H SER 98 H SER 98 16.739 15.912 -7.137 573 HA SER 98 HA SER 98 19.579 15.840 -6.457 574 HB2 SER 98 HB2 SER 98 17.287 17.482 -5.358 575 HB3 SER 98 HB3 SER 98 18.957 17.580 -4.781 576 HG SER 98 HG SER 98 18.050 19.104 -6.532 577 H CYS 99 H CYS 99 17.600 13.553 -6.280 578 HA CYS 99 HA CYS 99 16.973 13.221 -3.499 579 HB2 CYS 99 HB2 CYS 99 15.784 12.166 -5.561 580 HB3 CYS 99 HB3 CYS 99 17.073 10.971 -5.494 581 H SER 100 H SER 100 17.711 11.015 -2.472 582 HA SER 100 HA SER 100 20.448 11.303 -1.915 583 HB2 SER 100 HB2 SER 100 18.716 8.936 -1.309 584 HB3 SER 100 HB3 SER 100 20.190 9.408 -0.466 585 HG SER 100 HG SER 100 18.885 10.492 0.777 586 H CYS 101 H CYS 101 18.750 9.134 -4.100 587 HA CYS 101 HA CYS 101 21.253 7.745 -4.637 588 HB2 CYS 101 HB2 CYS 101 19.839 6.316 -6.132 589 HB3 CYS 101 HB3 CYS 101 19.362 6.294 -4.437 590 H LYS 102 H LYS 102 18.936 9.927 -6.223 591 HA LYS 102 HA LYS 102 20.336 9.944 -8.673 592 HB2 LYS 102 HB2 LYS 102 17.866 10.410 -8.194 593 HB3 LYS 102 HB3 LYS 102 18.404 12.005 -7.678 594 HG2 LYS 102 HG2 LYS 102 18.308 12.632 -9.775 595 HG3 LYS 102 HG3 LYS 102 19.652 11.541 -10.071 596 HD2 LYS 102 HD2 LYS 102 18.063 9.711 -10.435 597 HD3 LYS 102 HD3 LYS 102 16.741 10.865 -10.266 598 HE2 LYS 102 HE2 LYS 102 17.305 10.358 -12.568 599 HE3 LYS 102 HE3 LYS 102 17.495 12.072 -12.160 600 HZ1 LYS 102 HZ1 LYS 102 19.707 10.096 -12.281 601 HZ2 LYS 102 HZ2 LYS 102 19.862 11.755 -12.012 602 HZ3 LYS 102 HZ3 LYS 102 19.342 11.192 -13.510 Start of MODEL 17 1 HA2 GLY 1 HA2 GLY 1 25.800 22.310 1.343 2 HA3 GLY 1 HA3 GLY 1 26.357 21.473 -0.099 3 H SER 2 H SER 2 25.417 19.198 -0.341 4 HA SER 2 HA SER 2 22.575 19.418 -0.312 5 HB2 SER 2 HB2 SER 2 24.307 17.016 -0.951 6 HB3 SER 2 HB3 SER 2 22.607 17.219 -1.378 7 HG SER 2 HG SER 2 23.372 19.179 -2.529 8 H MET 3 H MET 3 21.801 19.488 1.724 9 HA MET 3 HA MET 3 22.640 17.501 3.678 10 HB2 MET 3 HB2 MET 3 20.807 19.888 3.950 11 HB3 MET 3 HB3 MET 3 21.303 18.837 5.267 12 HG2 MET 3 HG2 MET 3 23.120 20.568 3.609 13 HG3 MET 3 HG3 MET 3 22.572 20.907 5.249 14 HE1 MET 3 HE1 MET 3 25.643 20.879 4.301 15 HE2 MET 3 HE2 MET 3 26.389 20.061 5.673 16 HE3 MET 3 HE3 MET 3 25.133 21.267 5.944 17 H SER 4 H SER 4 21.054 16.320 4.906 18 HA SER 4 HA SER 4 18.999 15.223 3.215 19 HB2 SER 4 HB2 SER 4 19.632 14.578 6.102 20 HB3 SER 4 HB3 SER 4 18.732 13.576 4.961 21 HG SER 4 HG SER 4 20.552 12.810 4.283 22 H SER 5 H SER 5 19.251 17.629 5.605 23 HA SER 5 HA SER 5 16.555 17.541 6.527 24 HB2 SER 5 HB2 SER 5 17.285 19.911 7.375 25 HB3 SER 5 HB3 SER 5 17.997 18.465 8.095 26 HG SER 5 HG SER 5 19.156 20.422 6.536 27 H VAL 6 H VAL 6 15.255 17.635 4.748 28 HA VAL 6 HA VAL 6 15.498 19.685 2.773 29 HB VAL 6 HB VAL 6 14.562 17.428 2.308 30 HG11 VAL 6 HG11 VAL 6 13.265 17.090 4.317 31 HG12 VAL 6 HG12 VAL 6 12.232 16.937 2.895 32 HG13 VAL 6 HG13 VAL 6 12.182 18.406 3.869 33 HG21 VAL 6 HG21 VAL 6 12.740 18.175 0.842 34 HG22 VAL 6 HG22 VAL 6 14.131 19.257 0.762 35 HG23 VAL 6 HG23 VAL 6 12.704 19.722 1.688 36 H PHE 7 H PHE 7 13.978 19.461 5.841 37 HA PHE 7 HA PHE 7 12.265 21.750 5.247 38 HB2 PHE 7 HB2 PHE 7 11.238 21.313 7.480 39 HB3 PHE 7 HB3 PHE 7 11.071 19.980 6.342 40 HD1 PHE 7 HD1 PHE 7 12.468 21.073 9.509 41 HD2 PHE 7 HD2 PHE 7 12.388 17.916 6.655 42 HE1 PHE 7 HE1 PHE 7 13.405 19.537 11.186 43 HE2 PHE 7 HE2 PHE 7 13.327 16.376 8.326 44 HZ PHE 7 HZ PHE 7 13.835 17.185 10.595 45 H GLY 8 H GLY 8 12.265 23.585 6.542 46 HA2 GLY 8 HA2 GLY 8 14.909 24.311 7.492 47 HA3 GLY 8 HA3 GLY 8 13.529 25.378 7.306 48 H ALA 9 H ALA 9 12.951 26.215 9.164 49 HA ALA 9 HA ALA 9 12.808 24.454 11.513 50 HB1 ALA 9 HB1 ALA 9 14.813 25.821 11.737 51 HB2 ALA 9 HB2 ALA 9 13.605 26.294 12.931 52 HB3 ALA 9 HB3 ALA 9 13.860 27.284 11.495 53 H GLY 10 H GLY 10 11.080 25.960 9.393 54 HA2 GLY 10 HA2 GLY 10 8.905 26.455 11.215 55 HA3 GLY 10 HA3 GLY 10 9.478 27.876 10.352 56 H CYS 11 H CYS 11 9.091 24.481 9.324 57 HA CYS 11 HA CYS 11 7.836 25.419 6.925 58 HB2 CYS 11 HB2 CYS 11 8.361 22.615 7.888 59 HB3 CYS 11 HB3 CYS 11 7.859 23.076 6.265 60 H THR 12 H THR 12 5.697 25.019 6.342 61 HA THR 12 HA THR 12 3.841 24.676 8.505 62 HB THR 12 HB THR 12 2.120 24.926 6.743 63 HG1 THR 12 HG1 THR 12 4.127 25.399 4.819 64 HG21 THR 12 HG21 THR 12 4.371 26.924 6.527 65 HG22 THR 12 HG22 THR 12 3.096 26.927 7.747 66 HG23 THR 12 HG23 THR 12 2.693 27.199 6.052 67 H ASP 13 H ASP 13 2.005 23.076 8.266 68 HA ASP 13 HA ASP 13 3.065 20.468 7.723 69 HB2 ASP 13 HB2 ASP 13 0.527 21.517 8.834 70 HB3 ASP 13 HB3 ASP 13 0.436 19.952 8.030 71 H VAL 14 H VAL 14 1.683 22.878 5.928 72 HA VAL 14 HA VAL 14 0.459 21.316 3.881 73 HB VAL 14 HB VAL 14 1.583 24.121 3.647 74 HG11 VAL 14 HG11 VAL 14 -0.129 24.408 1.939 75 HG12 VAL 14 HG12 VAL 14 -0.646 22.738 2.169 76 HG13 VAL 14 HG13 VAL 14 0.963 23.084 1.534 77 HG21 VAL 14 HG21 VAL 14 -0.655 24.928 4.274 78 HG22 VAL 14 HG22 VAL 14 0.124 24.043 5.584 79 HG23 VAL 14 HG23 VAL 14 -1.140 23.270 4.628 80 H CYS 15 H CYS 15 3.648 22.379 4.704 81 HA CYS 15 HA CYS 15 4.873 21.756 2.182 82 HB2 CYS 15 HB2 CYS 15 5.894 23.462 3.560 83 HB3 CYS 15 HB3 CYS 15 5.974 22.375 4.937 84 H LYS 16 H LYS 16 4.169 20.149 5.211 85 HA LYS 16 HA LYS 16 5.845 17.889 4.736 86 HB2 LYS 16 HB2 LYS 16 3.456 18.077 6.591 87 HB3 LYS 16 HB3 LYS 16 4.730 16.876 6.648 88 HG2 LYS 16 HG2 LYS 16 4.993 19.817 7.286 89 HG3 LYS 16 HG3 LYS 16 5.019 18.485 8.433 90 HD2 LYS 16 HD2 LYS 16 7.267 18.595 8.234 91 HD3 LYS 16 HD3 LYS 16 7.028 17.834 6.654 92 HE2 LYS 16 HE2 LYS 16 6.744 20.138 5.689 93 HE3 LYS 16 HE3 LYS 16 7.246 20.786 7.249 94 HZ1 LYS 16 HZ1 LYS 16 9.069 20.680 5.684 95 HZ2 LYS 16 HZ2 LYS 16 8.868 19.012 5.516 96 HZ3 LYS 16 HZ3 LYS 16 9.349 19.658 7.007 97 H GLN 17 H GLN 17 3.101 18.933 3.201 98 HA GLN 17 HA GLN 17 1.617 16.540 2.875 99 HB2 GLN 17 HB2 GLN 17 1.727 19.124 1.345 100 HB3 GLN 17 HB3 GLN 17 0.851 17.756 0.682 101 HG2 GLN 17 HG2 GLN 17 -0.523 17.697 2.740 102 HG3 GLN 17 HG3 GLN 17 0.321 19.139 3.301 103 HE21 GLN 17 HE21 GLN 17 -1.604 20.300 3.369 104 HE22 GLN 17 HE22 GLN 17 -2.398 20.881 1.948 105 H THR 18 H THR 18 1.276 15.724 0.539 106 HA THR 18 HA THR 18 3.682 15.495 -1.026 107 HB THR 18 HB THR 18 2.564 12.986 0.273 108 HG1 THR 18 HG1 THR 18 4.229 14.707 1.295 109 HG21 THR 18 HG21 THR 18 3.390 12.607 -2.004 110 HG22 THR 18 HG22 THR 18 4.470 11.873 -0.817 111 HG23 THR 18 HG23 THR 18 4.913 13.394 -1.590 112 HA PRO 19 HA PRO 19 3.997 15.949 -2.937 113 HB2 PRO 19 HB2 PRO 19 3.105 17.799 -4.701 114 HB3 PRO 19 HB3 PRO 19 3.476 16.137 -5.172 115 HG2 PRO 19 HG2 PRO 19 0.825 17.390 -4.578 116 HG3 PRO 19 HG3 PRO 19 1.266 16.273 -5.883 117 HD2 PRO 19 HD2 PRO 19 -0.015 15.469 -3.630 118 HD3 PRO 19 HD3 PRO 19 1.108 14.422 -4.521 119 H CYS 20 H CYS 20 4.680 18.264 -2.731 120 HA CYS 20 HA CYS 20 3.783 19.331 -0.326 121 HB2 CYS 20 HB2 CYS 20 6.017 19.687 -1.412 122 HB3 CYS 20 HB3 CYS 20 5.233 20.810 -2.516 123 H GLY 21 H GLY 21 2.142 20.611 0.167 124 HA2 GLY 21 HA2 GLY 21 0.308 21.244 -1.980 125 HA3 GLY 21 HA3 GLY 21 -0.019 21.302 -0.257 126 H CYS 22 H CYS 22 2.748 22.926 -0.380 127 HA CYS 22 HA CYS 22 1.627 25.456 0.059 128 HB2 CYS 22 HB2 CYS 22 4.403 24.603 -0.670 129 HB3 CYS 22 HB3 CYS 22 3.998 26.283 -0.333 130 H ALA 23 H ALA 23 2.479 23.920 -2.904 131 HA ALA 23 HA ALA 23 2.725 26.329 -4.423 132 HB1 ALA 23 HB1 ALA 23 2.330 23.496 -5.379 133 HB2 ALA 23 HB2 ALA 23 3.884 24.269 -5.068 134 HB3 ALA 23 HB3 ALA 23 2.845 24.865 -6.365 135 H THR 24 H THR 24 0.043 24.587 -3.260 136 HA THR 24 HA THR 24 -1.679 26.138 -5.055 137 HB THR 24 HB THR 24 -1.588 23.821 -5.926 138 HG1 THR 24 HG1 THR 24 -3.988 24.847 -4.839 139 HG21 THR 24 HG21 THR 24 -2.787 23.069 -3.254 140 HG22 THR 24 HG22 THR 24 -1.174 22.635 -3.823 141 HG23 THR 24 HG23 THR 24 -2.600 21.990 -4.637 142 H SER 25 H SER 25 -0.772 25.804 -2.020 143 HA SER 25 HA SER 25 -3.409 26.531 -0.991 144 HB2 SER 25 HB2 SER 25 -2.921 24.112 -0.492 145 HB3 SER 25 HB3 SER 25 -1.548 24.652 0.470 146 HG SER 25 HG SER 25 -3.269 26.021 1.558 147 H GLY 26 H GLY 26 -0.398 27.508 -1.538 148 HA2 GLY 26 HA2 GLY 26 0.458 29.559 -0.854 149 HA3 GLY 26 HA3 GLY 26 -0.556 29.499 0.581 150 H CYS 27 H CYS 27 2.396 29.931 -0.046 151 HA CYS 27 HA CYS 27 3.558 27.895 1.707 152 HB2 CYS 27 HB2 CYS 27 4.720 28.155 -0.389 153 HB3 CYS 27 HB3 CYS 27 4.802 29.896 -0.178 154 H ASN 28 H ASN 28 4.535 28.433 3.623 155 HA ASN 28 HA ASN 28 4.660 31.272 4.390 156 HB2 ASN 28 HB2 ASN 28 3.434 29.098 6.106 157 HB3 ASN 28 HB3 ASN 28 3.754 30.743 6.632 158 HD21 ASN 28 HD21 ASN 28 1.713 28.665 4.801 159 HD22 ASN 28 HD22 ASN 28 0.481 29.832 4.458 160 H CYS 29 H CYS 29 6.407 28.729 3.806 161 HA CYS 29 HA CYS 29 7.773 28.269 6.254 162 HB2 CYS 29 HB2 CYS 29 8.571 27.614 3.424 163 HB3 CYS 29 HB3 CYS 29 9.320 26.973 4.884 164 H THR 30 H THR 30 10.061 28.651 6.541 165 HA THR 30 HA THR 30 10.699 31.390 5.964 166 HB THR 30 HB THR 30 12.693 30.948 7.380 167 HG1 THR 30 HG1 THR 30 12.895 28.904 8.341 168 HG21 THR 30 HG21 THR 30 10.594 31.647 8.434 169 HG22 THR 30 HG22 THR 30 11.472 30.527 9.473 170 HG23 THR 30 HG23 THR 30 10.085 29.962 8.546 171 H ASP 31 H ASP 31 13.153 31.776 5.394 172 HA ASP 31 HA ASP 31 13.572 30.579 2.822 173 HB2 ASP 31 HB2 ASP 31 15.316 32.140 2.523 174 HB3 ASP 31 HB3 ASP 31 14.113 32.995 3.476 175 H ASP 32 H ASP 32 14.183 29.600 5.893 176 HA ASP 32 HA ASP 32 16.692 28.264 5.425 177 HB2 ASP 32 HB2 ASP 32 16.079 29.108 7.675 178 HB3 ASP 32 HB3 ASP 32 14.720 27.991 7.708 179 H CYS 33 H CYS 33 13.422 27.737 4.767 180 HA CYS 33 HA CYS 33 13.292 24.914 4.861 181 HB2 CYS 33 HB2 CYS 33 11.224 26.094 4.689 182 HB3 CYS 33 HB3 CYS 33 11.778 26.987 3.279 183 H LYS 34 H LYS 34 14.259 23.474 3.617 184 HA LYS 34 HA LYS 34 15.782 24.428 1.308 185 HB2 LYS 34 HB2 LYS 34 16.004 21.836 2.827 186 HB3 LYS 34 HB3 LYS 34 17.144 22.457 1.640 187 HG2 LYS 34 HG2 LYS 34 16.529 23.691 4.317 188 HG3 LYS 34 HG3 LYS 34 17.958 22.737 3.921 189 HD2 LYS 34 HD2 LYS 34 17.185 25.324 2.574 190 HD3 LYS 34 HD3 LYS 34 18.365 25.181 3.878 191 HE2 LYS 34 HE2 LYS 34 19.671 23.619 2.465 192 HE3 LYS 34 HE3 LYS 34 18.531 23.897 1.152 193 HZ1 LYS 34 HZ1 LYS 34 20.164 26.018 2.431 194 HZ2 LYS 34 HZ2 LYS 34 19.172 26.193 1.075 195 HZ3 LYS 34 HZ3 LYS 34 20.565 25.233 0.993 196 H CYS 35 H CYS 35 12.818 23.513 1.500 197 HA CYS 35 HA CYS 35 12.770 21.072 0.070 198 HB2 CYS 35 HB2 CYS 35 10.966 21.905 1.613 199 HB3 CYS 35 HB3 CYS 35 10.505 23.029 0.337 200 H GLN 36 H GLN 36 12.048 20.726 -2.030 201 HA GLN 36 HA GLN 36 13.018 22.772 -3.884 202 HB2 GLN 36 HB2 GLN 36 12.168 20.030 -4.701 203 HB3 GLN 36 HB3 GLN 36 13.428 21.050 -5.376 204 HG2 GLN 36 HG2 GLN 36 14.904 20.556 -3.599 205 HG3 GLN 36 HG3 GLN 36 13.620 19.798 -2.656 206 HE21 GLN 36 HE21 GLN 36 15.821 19.463 -5.289 207 HE22 GLN 36 HE22 GLN 36 15.613 17.757 -5.523 208 H SER 37 H SER 37 10.120 21.732 -2.626 209 HA SER 37 HA SER 37 8.709 21.834 -5.162 210 HB2 SER 37 HB2 SER 37 8.311 20.032 -3.421 211 HB3 SER 37 HB3 SER 37 7.461 21.266 -2.491 212 HG SER 37 HG SER 37 6.452 21.486 -4.851 213 H CYS 38 H CYS 38 8.571 23.556 -2.003 214 HA CYS 38 HA CYS 38 6.680 25.388 -3.176 215 HB2 CYS 38 HB2 CYS 38 6.924 26.581 -0.919 216 HB3 CYS 38 HB3 CYS 38 6.203 24.982 -0.932 217 H LYS 39 H LYS 39 9.980 25.078 -3.157 218 HA LYS 39 HA LYS 39 10.362 27.924 -3.804 219 HB2 LYS 39 HB2 LYS 39 12.306 25.810 -2.871 220 HB3 LYS 39 HB3 LYS 39 12.855 27.304 -3.618 221 HG2 LYS 39 HG2 LYS 39 13.021 27.733 -1.348 222 HG3 LYS 39 HG3 LYS 39 11.474 28.468 -1.779 223 HD2 LYS 39 HD2 LYS 39 10.415 26.277 -1.077 224 HD3 LYS 39 HD3 LYS 39 11.981 25.860 -0.378 225 HE2 LYS 39 HE2 LYS 39 10.270 28.236 0.332 226 HE3 LYS 39 HE3 LYS 39 10.523 26.798 1.316 227 HZ1 LYS 39 HZ1 LYS 39 12.904 27.385 1.406 228 HZ2 LYS 39 HZ2 LYS 39 11.909 28.563 2.107 229 HZ3 LYS 39 HZ3 LYS 39 12.566 28.822 0.577 230 H TYR 40 H TYR 40 9.173 25.855 -5.495 231 HA TYR 40 HA TYR 40 10.975 24.817 -7.331 232 HB2 TYR 40 HB2 TYR 40 9.104 24.415 -8.802 233 HB3 TYR 40 HB3 TYR 40 8.630 24.060 -7.149 234 HD1 TYR 40 HD1 TYR 40 7.734 25.706 -10.128 235 HD2 TYR 40 HD2 TYR 40 7.362 26.015 -5.903 236 HE1 TYR 40 HE1 TYR 40 5.787 27.169 -10.414 237 HE2 TYR 40 HE2 TYR 40 5.409 27.482 -6.179 238 HH TYR 40 HH TYR 40 4.432 28.940 -7.820 239 H GLY 41 H GLY 41 12.251 25.715 -8.672 240 HA2 GLY 41 HA2 GLY 41 11.586 27.711 -10.536 241 HA3 GLY 41 HA3 GLY 41 12.424 28.460 -9.178 242 H ALA 42 H ALA 42 14.252 26.749 -8.431 243 HA ALA 42 HA ALA 42 16.108 26.676 -10.655 244 HB1 ALA 42 HB1 ALA 42 17.763 26.091 -8.958 245 HB2 ALA 42 HB2 ALA 42 16.486 25.896 -7.758 246 HB3 ALA 42 HB3 ALA 42 16.822 27.489 -8.436 247 H GLY 43 H GLY 43 13.752 24.910 -10.464 248 HA2 GLY 43 HA2 GLY 43 15.139 22.385 -10.859 249 HA3 GLY 43 HA3 GLY 43 13.803 22.427 -9.733 250 H CYS 44 H CYS 44 12.446 24.399 -11.504 251 HA CYS 44 HA CYS 44 11.383 22.404 -13.391 252 HB2 CYS 44 HB2 CYS 44 9.951 24.222 -11.510 253 HB3 CYS 44 HB3 CYS 44 9.166 23.720 -13.002 254 H THR 45 H THR 45 9.612 23.644 -14.758 255 HA THR 45 HA THR 45 10.564 26.171 -15.779 256 HB THR 45 HB THR 45 11.794 24.519 -17.138 257 HG1 THR 45 HG1 THR 45 11.193 26.259 -18.347 258 HG21 THR 45 HG21 THR 45 9.064 23.363 -17.727 259 HG22 THR 45 HG22 THR 45 10.385 22.575 -16.869 260 HG23 THR 45 HG23 THR 45 10.542 22.935 -18.588 261 H ASP 46 H ASP 46 8.895 26.557 -17.795 262 HA ASP 46 HA ASP 46 6.301 26.511 -16.476 263 HB2 ASP 46 HB2 ASP 46 5.559 27.995 -18.320 264 HB3 ASP 46 HB3 ASP 46 6.978 28.610 -17.483 265 H THR 47 H THR 47 7.864 24.424 -18.424 266 HA THR 47 HA THR 47 5.577 23.623 -20.021 267 HB THR 47 HB THR 47 8.192 22.139 -19.894 268 HG1 THR 47 HG1 THR 47 7.623 24.624 -21.163 269 HG21 THR 47 HG21 THR 47 6.339 21.203 -21.212 270 HG22 THR 47 HG22 THR 47 7.678 21.699 -22.245 271 HG23 THR 47 HG23 THR 47 6.236 22.707 -22.125 272 H CYS 48 H CYS 48 7.247 22.728 -17.112 273 HA CYS 48 HA CYS 48 6.121 20.063 -17.007 274 HB2 CYS 48 HB2 CYS 48 8.343 20.264 -16.190 275 HB3 CYS 48 HB3 CYS 48 7.911 21.618 -15.153 276 H LYS 49 H LYS 49 5.401 23.205 -15.764 277 HA LYS 49 HA LYS 49 3.854 22.379 -13.517 278 HB2 LYS 49 HB2 LYS 49 3.155 24.680 -13.384 279 HB3 LYS 49 HB3 LYS 49 4.883 24.597 -13.702 280 HG2 LYS 49 HG2 LYS 49 4.443 25.021 -16.083 281 HG3 LYS 49 HG3 LYS 49 2.724 25.172 -15.715 282 HD2 LYS 49 HD2 LYS 49 4.942 26.877 -14.621 283 HD3 LYS 49 HD3 LYS 49 3.791 27.350 -15.873 284 HE2 LYS 49 HE2 LYS 49 1.949 27.006 -14.232 285 HE3 LYS 49 HE3 LYS 49 3.163 26.688 -12.995 286 HZ1 LYS 49 HZ1 LYS 49 2.786 29.213 -14.496 287 HZ2 LYS 49 HZ2 LYS 49 4.058 28.927 -13.426 288 HZ3 LYS 49 HZ3 LYS 49 2.467 28.953 -12.859 289 H GLN 50 H GLN 50 3.231 21.724 -16.580 290 HA GLN 50 HA GLN 50 0.479 22.515 -16.768 291 HB2 GLN 50 HB2 GLN 50 1.988 20.519 -18.441 292 HB3 GLN 50 HB3 GLN 50 0.485 21.334 -18.854 293 HG2 GLN 50 HG2 GLN 50 2.154 23.429 -18.343 294 HG3 GLN 50 HG3 GLN 50 3.239 22.251 -19.073 295 HE21 GLN 50 HE21 GLN 50 3.485 23.484 -20.915 296 HE22 GLN 50 HE22 GLN 50 2.223 23.611 -22.085 297 H THR 51 H THR 51 -0.860 20.357 -17.639 298 HA THR 51 HA THR 51 -0.493 18.218 -15.693 299 HB THR 51 HB THR 51 -3.133 19.651 -16.113 300 HG1 THR 51 HG1 THR 51 -1.181 19.645 -14.058 301 HG21 THR 51 HG21 THR 51 -3.396 17.219 -15.774 302 HG22 THR 51 HG22 THR 51 -4.004 18.139 -14.399 303 HG23 THR 51 HG23 THR 51 -2.441 17.330 -14.297 304 HA PRO 52 HA PRO 52 -0.529 16.188 -15.491 305 HB2 PRO 52 HB2 PRO 52 1.026 14.450 -17.290 306 HB3 PRO 52 HB3 PRO 52 -0.009 14.007 -15.929 307 HG2 PRO 52 HG2 PRO 52 -0.731 13.508 -18.470 308 HG3 PRO 52 HG3 PRO 52 -1.912 13.941 -17.223 309 HD2 PRO 52 HD2 PRO 52 -0.719 15.648 -19.372 310 HD3 PRO 52 HD3 PRO 52 -2.397 15.570 -18.799 311 H CYS 53 H CYS 53 1.246 16.555 -18.529 312 HA CYS 53 HA CYS 53 2.931 18.581 -17.470 313 HB2 CYS 53 HB2 CYS 53 3.949 16.508 -16.530 314 HB3 CYS 53 HB3 CYS 53 4.217 15.940 -18.170 315 H GLY 54 H GLY 54 4.270 19.505 -19.137 316 HA2 GLY 54 HA2 GLY 54 3.383 18.659 -21.810 317 HA3 GLY 54 HA3 GLY 54 3.779 20.319 -21.381 318 H CYS 55 H CYS 55 6.063 18.626 -19.810 319 HA CYS 55 HA CYS 55 8.079 19.331 -21.649 320 HB2 CYS 55 HB2 CYS 55 8.093 17.679 -19.142 321 HB3 CYS 55 HB3 CYS 55 9.553 17.996 -20.071 322 H GLY 56 H GLY 56 7.591 16.077 -20.323 323 HA2 GLY 56 HA2 GLY 56 7.983 14.011 -21.245 324 HA3 GLY 56 HA3 GLY 56 7.240 14.677 -22.692 325 H SER 57 H SER 57 8.452 14.850 -24.445 326 HA SER 57 HA SER 57 11.295 14.263 -24.263 327 HB2 SER 57 HB2 SER 57 9.550 14.571 -26.715 328 HB3 SER 57 HB3 SER 57 11.170 13.872 -26.652 329 HG SER 57 HG SER 57 9.576 12.663 -24.860 330 H GLY 58 H GLY 58 9.474 16.949 -24.082 331 HA2 GLY 58 HA2 GLY 58 11.564 18.634 -25.318 332 HA3 GLY 58 HA3 GLY 58 9.855 19.057 -25.371 333 H CYS 59 H CYS 59 12.043 17.888 -22.870 334 HA CYS 59 HA CYS 59 10.798 19.489 -20.863 335 HB2 CYS 59 HB2 CYS 59 11.607 17.347 -20.232 336 HB3 CYS 59 HB3 CYS 59 13.214 17.677 -20.874 337 H ASN 60 H ASN 60 11.789 21.119 -19.628 338 HA ASN 60 HA ASN 60 14.186 22.398 -20.716 339 HB2 ASN 60 HB2 ASN 60 12.156 23.380 -21.858 340 HB3 ASN 60 HB3 ASN 60 11.613 23.934 -20.280 341 HD21 ASN 60 HD21 ASN 60 11.720 26.074 -20.695 342 HD22 ASN 60 HD22 ASN 60 13.195 26.927 -20.985 343 H CYS 61 H CYS 61 13.118 20.977 -18.243 344 HA CYS 61 HA CYS 61 12.920 22.895 -16.183 345 HB2 CYS 61 HB2 CYS 61 13.262 19.936 -16.249 346 HB3 CYS 61 HB3 CYS 61 13.483 20.800 -14.729 347 H LYS 62 H LYS 62 14.436 22.314 -14.168 348 HA LYS 62 HA LYS 62 17.076 23.180 -15.073 349 HB2 LYS 62 HB2 LYS 62 15.778 23.407 -12.364 350 HB3 LYS 62 HB3 LYS 62 17.297 24.137 -12.816 351 HG2 LYS 62 HG2 LYS 62 14.788 24.832 -14.296 352 HG3 LYS 62 HG3 LYS 62 15.132 25.568 -12.732 353 HD2 LYS 62 HD2 LYS 62 15.937 27.079 -14.369 354 HD3 LYS 62 HD3 LYS 62 17.360 26.284 -13.705 355 HE2 LYS 62 HE2 LYS 62 17.462 24.819 -15.639 356 HE3 LYS 62 HE3 LYS 62 15.989 25.539 -16.287 357 HZ1 LYS 62 HZ1 LYS 62 17.918 26.468 -17.353 358 HZ2 LYS 62 HZ2 LYS 62 18.597 26.884 -15.867 359 HZ3 LYS 62 HZ3 LYS 62 17.195 27.663 -16.399 360 H GLU 63 H GLU 63 15.986 21.547 -12.114 361 HA GLU 63 HA GLU 63 17.248 19.092 -12.640 362 HB2 GLU 63 HB2 GLU 63 19.310 20.388 -12.400 363 HB3 GLU 63 HB3 GLU 63 18.791 20.933 -10.811 364 HG2 GLU 63 HG2 GLU 63 18.872 18.668 -9.971 365 HG3 GLU 63 HG3 GLU 63 19.300 18.066 -11.573 366 H ASP 64 H ASP 64 16.415 21.384 -10.049 367 HA ASP 64 HA ASP 64 15.793 19.338 -8.169 368 HB2 ASP 64 HB2 ASP 64 15.524 22.306 -8.291 369 HB3 ASP 64 HB3 ASP 64 14.624 21.436 -7.066 370 H CYS 65 H CYS 65 14.476 18.636 -10.361 371 HA CYS 65 HA CYS 65 11.646 19.273 -9.916 372 HB2 CYS 65 HB2 CYS 65 12.313 19.718 -12.183 373 HB3 CYS 65 HB3 CYS 65 13.142 18.174 -12.301 374 H ARG 66 H ARG 66 10.317 17.680 -9.225 375 HA ARG 66 HA ARG 66 11.469 14.995 -9.070 376 HB2 ARG 66 HB2 ARG 66 9.847 14.722 -7.057 377 HB3 ARG 66 HB3 ARG 66 11.388 15.528 -6.837 378 HG2 ARG 66 HG2 ARG 66 10.329 17.217 -5.967 379 HG3 ARG 66 HG3 ARG 66 9.557 17.528 -7.527 380 HD2 ARG 66 HD2 ARG 66 7.854 17.322 -5.841 381 HD3 ARG 66 HD3 ARG 66 7.777 15.914 -6.897 382 HE ARG 66 HE ARG 66 9.004 14.700 -5.119 383 HH11 ARG 66 HH11 ARG 66 7.184 17.591 -4.287 384 HH12 ARG 66 HH12 ARG 66 6.951 17.123 -2.636 385 HH21 ARG 66 HH21 ARG 66 8.675 14.076 -2.937 386 HH22 ARG 66 HH22 ARG 66 7.801 15.120 -1.866 387 H CYS 67 H CYS 67 10.028 16.043 -11.196 388 HA CYS 67 HA CYS 67 7.498 14.642 -11.122 389 HB2 CYS 67 HB2 CYS 67 7.671 16.781 -12.328 390 HB3 CYS 67 HB3 CYS 67 8.901 16.085 -13.375 391 H GLN 68 H GLN 68 7.092 12.779 -12.317 392 HA GLN 68 HA GLN 68 9.526 11.291 -13.013 393 HB2 GLN 68 HB2 GLN 68 8.109 9.263 -12.752 394 HB3 GLN 68 HB3 GLN 68 8.269 10.212 -11.281 395 HG2 GLN 68 HG2 GLN 68 5.955 10.939 -12.904 396 HG3 GLN 68 HG3 GLN 68 5.930 9.274 -12.327 397 HE21 GLN 68 HE21 GLN 68 7.574 11.738 -10.498 398 HE22 GLN 68 HE22 GLN 68 6.431 11.817 -9.216 399 H SER 69 H SER 69 7.633 13.149 -14.697 400 HA SER 69 HA SER 69 7.078 11.213 -16.809 401 HB2 SER 69 HB2 SER 69 6.108 14.053 -16.484 402 HB3 SER 69 HB3 SER 69 5.613 12.924 -17.743 403 HG SER 69 HG SER 69 4.977 11.521 -15.898 404 H CYS 70 H CYS 70 8.878 14.192 -16.171 405 HA CYS 70 HA CYS 70 9.955 13.996 -18.893 406 HB2 CYS 70 HB2 CYS 70 10.565 16.354 -18.675 407 HB3 CYS 70 HB3 CYS 70 8.843 16.083 -18.448 408 H SER 71 H SER 71 10.764 13.572 -15.637 409 HA SER 71 HA SER 71 13.532 14.218 -15.831 410 HB2 SER 71 HB2 SER 71 12.270 14.183 -13.676 411 HB3 SER 71 HB3 SER 71 12.142 12.432 -13.817 412 HG SER 71 HG SER 71 13.903 12.662 -12.618 413 H THR 72 H THR 72 15.125 12.390 -15.201 414 HA THR 72 HA THR 72 15.004 10.439 -17.324 415 HB THR 72 HB THR 72 17.116 11.657 -16.834 416 HG1 THR 72 HG1 THR 72 17.523 9.763 -17.815 417 HG21 THR 72 HG21 THR 72 17.091 10.073 -14.264 418 HG22 THR 72 HG22 THR 72 16.895 11.821 -14.401 419 HG23 THR 72 HG23 THR 72 18.426 11.065 -14.846 420 H ALA 73 H ALA 73 15.456 8.140 -16.883 421 HA ALA 73 HA ALA 73 13.746 7.112 -14.862 422 HB1 ALA 73 HB1 ALA 73 14.105 5.992 -17.033 423 HB2 ALA 73 HB2 ALA 73 14.417 4.927 -15.663 424 HB3 ALA 73 HB3 ALA 73 15.764 5.637 -16.553 425 H CYS 74 H CYS 74 14.292 7.382 -12.823 426 HA CYS 74 HA CYS 74 16.855 7.511 -11.769 427 HB2 CYS 74 HB2 CYS 74 14.251 6.706 -10.496 428 HB3 CYS 74 HB3 CYS 74 15.738 6.980 -9.601 429 H LYS 75 H LYS 75 18.052 6.053 -10.525 430 HA LYS 75 HA LYS 75 17.953 3.346 -11.502 431 HB2 LYS 75 HB2 LYS 75 19.801 4.786 -9.603 432 HB3 LYS 75 HB3 LYS 75 19.947 3.067 -9.940 433 HG2 LYS 75 HG2 LYS 75 20.103 5.253 -11.997 434 HG3 LYS 75 HG3 LYS 75 21.486 4.422 -11.278 435 HD2 LYS 75 HD2 LYS 75 20.791 2.329 -12.219 436 HD3 LYS 75 HD3 LYS 75 19.274 3.030 -12.779 437 HE2 LYS 75 HE2 LYS 75 20.515 4.520 -14.275 438 HE3 LYS 75 HE3 LYS 75 22.032 3.808 -13.724 439 HZ1 LYS 75 HZ1 LYS 75 21.349 2.837 -15.808 440 HZ2 LYS 75 HZ2 LYS 75 19.854 2.386 -15.155 441 HZ3 LYS 75 HZ3 LYS 75 21.272 1.671 -14.588 442 H CYS 76 H CYS 76 15.695 4.125 -10.082 443 HA CYS 76 HA CYS 76 15.944 2.641 -7.601 444 HB2 CYS 76 HB2 CYS 76 13.612 4.320 -8.496 445 HB3 CYS 76 HB3 CYS 76 13.958 3.734 -6.877 446 H ALA 77 H ALA 77 15.500 0.605 -7.921 447 HA ALA 77 HA ALA 77 12.990 -0.240 -9.022 448 HB1 ALA 77 HB1 ALA 77 14.351 -0.030 -11.075 449 HB2 ALA 77 HB2 ALA 77 13.895 -1.701 -10.747 450 HB3 ALA 77 HB3 ALA 77 15.528 -1.148 -10.385 451 H ALA 78 H ALA 78 12.374 -2.223 -8.321 452 HA ALA 78 HA ALA 78 12.272 -4.045 -6.996 453 HB1 ALA 78 HB1 ALA 78 15.286 -4.055 -7.148 454 HB2 ALA 78 HB2 ALA 78 14.199 -4.860 -8.279 455 HB3 ALA 78 HB3 ALA 78 14.270 -5.388 -6.599 456 H GLY 79 H GLY 79 15.133 -2.419 -5.877 457 HA2 GLY 79 HA2 GLY 79 13.861 -1.476 -3.464 458 HA3 GLY 79 HA3 GLY 79 14.980 -2.802 -3.176 459 H SER 80 H SER 80 15.660 -0.737 -5.816 460 HA SER 80 HA SER 80 18.087 0.116 -4.488 461 HB2 SER 80 HB2 SER 80 18.145 -0.867 -6.775 462 HB3 SER 80 HB3 SER 80 17.226 0.514 -7.365 463 HG SER 80 HG SER 80 18.931 1.826 -7.024 464 H CYS 81 H CYS 81 15.191 1.329 -4.206 465 HA CYS 81 HA CYS 81 15.761 4.103 -4.877 466 HB2 CYS 81 HB2 CYS 81 13.440 2.879 -4.947 467 HB3 CYS 81 HB3 CYS 81 13.414 3.214 -3.231 468 H LYS 82 H LYS 82 17.738 3.716 -3.373 469 HA LYS 82 HA LYS 82 17.210 3.467 -0.572 470 HB2 LYS 82 HB2 LYS 82 19.645 3.729 -0.246 471 HB3 LYS 82 HB3 LYS 82 19.229 2.468 -1.388 472 HG2 LYS 82 HG2 LYS 82 19.786 5.079 -2.614 473 HG3 LYS 82 HG3 LYS 82 21.151 4.352 -1.764 474 HD2 LYS 82 HD2 LYS 82 20.546 2.211 -3.072 475 HD3 LYS 82 HD3 LYS 82 19.597 3.281 -4.102 476 HE2 LYS 82 HE2 LYS 82 22.558 3.546 -3.542 477 HE3 LYS 82 HE3 LYS 82 21.856 2.869 -5.006 478 HZ1 LYS 82 HZ1 LYS 82 20.866 5.026 -5.482 479 HZ2 LYS 82 HZ2 LYS 82 22.538 5.155 -5.327 480 HZ3 LYS 82 HZ3 LYS 82 21.541 5.671 -4.070 481 H CYS 83 H CYS 83 16.283 5.920 -2.139 482 HA CYS 83 HA CYS 83 17.588 8.099 -0.814 483 HB2 CYS 83 HB2 CYS 83 15.829 9.468 -1.766 484 HB3 CYS 83 HB3 CYS 83 16.417 8.347 -2.991 485 H GLY 84 H GLY 84 14.716 6.128 -0.373 486 HA2 GLY 84 HA2 GLY 84 14.267 5.798 2.105 487 HA3 GLY 84 HA3 GLY 84 14.186 7.554 2.153 488 H LYS 85 H LYS 85 12.951 7.245 -0.693 489 HA LYS 85 HA LYS 85 10.239 7.405 0.177 490 HB2 LYS 85 HB2 LYS 85 11.381 7.188 -2.616 491 HB3 LYS 85 HB3 LYS 85 9.705 7.547 -2.248 492 HG2 LYS 85 HG2 LYS 85 12.078 9.258 -1.518 493 HG3 LYS 85 HG3 LYS 85 10.956 9.550 -2.846 494 HD2 LYS 85 HD2 LYS 85 10.202 9.464 0.075 495 HD3 LYS 85 HD3 LYS 85 10.481 10.932 -0.854 496 HE2 LYS 85 HE2 LYS 85 8.635 10.360 -2.338 497 HE3 LYS 85 HE3 LYS 85 8.368 8.862 -1.447 498 HZ1 LYS 85 HZ1 LYS 85 8.095 11.605 -0.338 499 HZ2 LYS 85 HZ2 LYS 85 7.853 10.173 0.516 500 HZ3 LYS 85 HZ3 LYS 85 6.821 10.573 -0.751 501 H GLY 86 H GLY 86 12.092 5.009 -1.662 502 HA2 GLY 86 HA2 GLY 86 11.811 2.704 -1.709 503 HA3 GLY 86 HA3 GLY 86 10.443 2.886 -0.619 504 H CYS 87 H CYS 87 10.767 4.582 -3.662 505 HA CYS 87 HA CYS 87 8.199 3.679 -4.537 506 HB2 CYS 87 HB2 CYS 87 10.299 5.135 -6.120 507 HB3 CYS 87 HB3 CYS 87 8.562 5.104 -6.415 508 H THR 88 H THR 88 11.521 3.185 -5.550 509 HA THR 88 HA THR 88 12.556 1.684 -6.865 510 HB THR 88 HB THR 88 11.894 -0.677 -6.652 511 HG1 THR 88 HG1 THR 88 9.470 0.384 -6.237 512 HG21 THR 88 HG21 THR 88 11.633 0.884 -4.080 513 HG22 THR 88 HG22 THR 88 13.137 0.341 -4.825 514 HG23 THR 88 HG23 THR 88 11.987 -0.839 -4.197 515 H GLY 89 H GLY 89 11.341 3.318 -8.426 516 HA2 GLY 89 HA2 GLY 89 11.104 2.149 -10.849 517 HA3 GLY 89 HA3 GLY 89 9.466 2.038 -10.208 518 HA PRO 90 HA PRO 90 10.992 6.493 -11.528 519 HB2 PRO 90 HB2 PRO 90 10.957 6.492 -14.244 520 HB3 PRO 90 HB3 PRO 90 12.402 6.131 -13.293 521 HG2 PRO 90 HG2 PRO 90 10.484 4.253 -14.613 522 HG3 PRO 90 HG3 PRO 90 12.258 4.196 -14.564 523 HD2 PRO 90 HD2 PRO 90 10.706 2.664 -12.954 524 HD3 PRO 90 HD3 PRO 90 12.287 3.282 -12.440 525 H ASP 91 H ASP 91 8.418 4.437 -12.269 526 HA ASP 91 HA ASP 91 6.769 6.625 -13.291 527 HB2 ASP 91 HB2 ASP 91 6.304 3.656 -13.056 528 HB3 ASP 91 HB3 ASP 91 5.005 4.777 -13.432 529 H SER 92 H SER 92 7.711 5.480 -10.367 530 HA SER 92 HA SER 92 5.291 6.530 -9.083 531 HB2 SER 92 HB2 SER 92 5.233 4.021 -9.102 532 HB3 SER 92 HB3 SER 92 6.732 4.022 -8.175 533 HG SER 92 HG SER 92 4.139 4.750 -7.398 534 H CYS 93 H CYS 93 8.151 7.451 -9.599 535 HA CYS 93 HA CYS 93 9.263 7.540 -6.926 536 HB2 CYS 93 HB2 CYS 93 10.303 8.451 -9.598 537 HB3 CYS 93 HB3 CYS 93 11.099 8.893 -8.092 538 H LYS 94 H LYS 94 8.491 8.946 -5.593 539 HA LYS 94 HA LYS 94 7.511 11.505 -6.580 540 HB2 LYS 94 HB2 LYS 94 7.254 10.112 -3.911 541 HB3 LYS 94 HB3 LYS 94 6.722 11.765 -4.172 542 HG2 LYS 94 HG2 LYS 94 4.755 10.579 -4.482 543 HG3 LYS 94 HG3 LYS 94 5.374 10.757 -6.127 544 HD2 LYS 94 HD2 LYS 94 4.546 8.509 -5.786 545 HD3 LYS 94 HD3 LYS 94 6.284 8.504 -6.051 546 HE2 LYS 94 HE2 LYS 94 6.632 8.273 -3.628 547 HE3 LYS 94 HE3 LYS 94 4.882 8.250 -3.394 548 HZ1 LYS 94 HZ1 LYS 94 5.902 6.018 -3.458 549 HZ2 LYS 94 HZ2 LYS 94 6.368 6.298 -5.060 550 HZ3 LYS 94 HZ3 LYS 94 4.731 6.242 -4.654 551 H CYS 95 H CYS 95 10.326 10.815 -6.485 552 HA CYS 95 HA CYS 95 11.307 12.897 -4.654 553 HB2 CYS 95 HB2 CYS 95 13.486 11.629 -4.704 554 HB3 CYS 95 HB3 CYS 95 12.172 10.814 -3.868 555 H ASP 96 H ASP 96 13.389 13.903 -5.461 556 HA ASP 96 HA ASP 96 12.969 14.627 -8.213 557 HB2 ASP 96 HB2 ASP 96 14.433 16.441 -7.865 558 HB3 ASP 96 HB3 ASP 96 13.434 16.313 -6.428 559 H ARG 97 H ARG 97 14.968 15.118 -9.477 560 HA ARG 97 HA ARG 97 16.174 12.549 -10.016 561 HB2 ARG 97 HB2 ARG 97 17.112 13.697 -12.005 562 HB3 ARG 97 HB3 ARG 97 15.358 13.785 -11.881 563 HG2 ARG 97 HG2 ARG 97 15.663 16.049 -10.840 564 HG3 ARG 97 HG3 ARG 97 17.360 15.934 -11.301 565 HD2 ARG 97 HD2 ARG 97 15.055 15.679 -13.208 566 HD3 ARG 97 HD3 ARG 97 15.936 17.175 -12.906 567 HE ARG 97 HE ARG 97 17.773 15.178 -13.586 568 HH11 ARG 97 HH11 ARG 97 15.146 16.972 -15.097 569 HH12 ARG 97 HH12 ARG 97 15.888 16.975 -16.659 570 HH21 ARG 97 HH21 ARG 97 18.729 15.161 -15.673 571 HH22 ARG 97 HH22 ARG 97 17.918 15.938 -16.991 572 H SER 98 H SER 98 17.040 15.084 -8.063 573 HA SER 98 HA SER 98 19.883 14.385 -8.304 574 HB2 SER 98 HB2 SER 98 19.368 16.779 -8.794 575 HB3 SER 98 HB3 SER 98 18.665 16.930 -7.184 576 HG SER 98 HG SER 98 20.779 16.224 -6.401 577 H CYS 99 H CYS 99 17.460 13.266 -6.858 578 HA CYS 99 HA CYS 99 17.712 13.731 -4.111 579 HB2 CYS 99 HB2 CYS 99 15.807 12.603 -5.491 580 HB3 CYS 99 HB3 CYS 99 16.724 11.126 -5.216 581 H SER 100 H SER 100 18.138 11.751 -2.626 582 HA SER 100 HA SER 100 20.900 11.414 -2.552 583 HB2 SER 100 HB2 SER 100 19.260 11.267 -0.624 584 HB3 SER 100 HB3 SER 100 18.913 9.624 -1.154 585 HG SER 100 HG SER 100 21.076 10.641 0.183 586 H CYS 101 H CYS 101 18.437 9.349 -3.963 587 HA CYS 101 HA CYS 101 20.180 7.078 -4.246 588 HB2 CYS 101 HB2 CYS 101 18.252 6.205 -5.599 589 HB3 CYS 101 HB3 CYS 101 17.873 6.650 -3.933 590 H LYS 102 H LYS 102 18.902 9.604 -6.378 591 HA LYS 102 HA LYS 102 19.923 8.539 -8.799 592 HB2 LYS 102 HB2 LYS 102 18.799 11.142 -7.930 593 HB3 LYS 102 HB3 LYS 102 19.757 11.152 -9.394 594 HG2 LYS 102 HG2 LYS 102 17.377 9.342 -8.954 595 HG3 LYS 102 HG3 LYS 102 17.281 10.920 -9.728 596 HD2 LYS 102 HD2 LYS 102 18.726 8.451 -10.722 597 HD3 LYS 102 HD3 LYS 102 17.376 9.301 -11.477 598 HE2 LYS 102 HE2 LYS 102 18.798 11.227 -11.910 599 HE3 LYS 102 HE3 LYS 102 20.143 10.436 -11.090 600 HZ1 LYS 102 HZ1 LYS 102 20.314 10.259 -13.490 601 HZ2 LYS 102 HZ2 LYS 102 18.839 9.448 -13.564 602 HZ3 LYS 102 HZ3 LYS 102 20.154 8.737 -12.782 Start of MODEL 18 1 HA2 GLY 1 HA2 GLY 1 20.961 10.504 4.320 2 HA3 GLY 1 HA3 GLY 1 21.384 11.012 2.694 3 H SER 2 H SER 2 19.267 13.241 3.750 4 HA SER 2 HA SER 2 21.269 15.241 4.072 5 HB2 SER 2 HB2 SER 2 18.295 15.442 4.576 6 HB3 SER 2 HB3 SER 2 19.408 16.780 4.295 7 HG SER 2 HG SER 2 18.303 14.961 2.505 8 H MET 3 H MET 3 22.033 16.199 5.904 9 HA MET 3 HA MET 3 21.481 14.898 8.420 10 HB2 MET 3 HB2 MET 3 23.353 17.117 7.622 11 HB3 MET 3 HB3 MET 3 23.144 16.629 9.298 12 HG2 MET 3 HG2 MET 3 23.884 14.382 8.750 13 HG3 MET 3 HG3 MET 3 24.059 14.838 7.059 14 HE1 MET 3 HE1 MET 3 26.539 13.839 7.168 15 HE2 MET 3 HE2 MET 3 26.318 13.460 8.876 16 HE3 MET 3 HE3 MET 3 27.741 14.357 8.348 17 H SER 4 H SER 4 20.361 17.629 6.750 18 HA SER 4 HA SER 4 19.000 18.557 9.177 19 HB2 SER 4 HB2 SER 4 20.576 20.186 8.021 20 HB3 SER 4 HB3 SER 4 19.448 20.179 6.665 21 HG SER 4 HG SER 4 18.584 21.748 7.790 22 H SER 5 H SER 5 16.784 19.359 8.801 23 HA SER 5 HA SER 5 15.400 17.499 7.045 24 HB2 SER 5 HB2 SER 5 14.271 19.340 9.165 25 HB3 SER 5 HB3 SER 5 13.430 18.013 8.364 26 HG SER 5 HG SER 5 15.188 16.663 9.238 27 H VAL 6 H VAL 6 16.736 19.639 5.778 28 HA VAL 6 HA VAL 6 16.506 21.452 4.404 29 HB VAL 6 HB VAL 6 15.913 19.472 3.063 30 HG11 VAL 6 HG11 VAL 6 13.936 18.723 4.106 31 HG12 VAL 6 HG12 VAL 6 13.521 19.133 2.433 32 HG13 VAL 6 HG13 VAL 6 13.115 20.238 3.756 33 HG21 VAL 6 HG21 VAL 6 14.885 20.666 1.173 34 HG22 VAL 6 HG22 VAL 6 16.157 21.610 1.948 35 HG23 VAL 6 HG23 VAL 6 14.463 21.990 2.258 36 H PHE 7 H PHE 7 15.649 22.455 6.525 37 HA PHE 7 HA PHE 7 13.113 23.812 5.916 38 HB2 PHE 7 HB2 PHE 7 12.905 24.251 8.349 39 HB3 PHE 7 HB3 PHE 7 12.900 22.537 7.961 40 HD1 PHE 7 HD1 PHE 7 14.736 25.255 9.577 41 HD2 PHE 7 HD2 PHE 7 14.757 21.119 8.602 42 HE1 PHE 7 HE1 PHE 7 16.549 24.884 11.198 43 HE2 PHE 7 HE2 PHE 7 16.569 20.740 10.222 44 HZ PHE 7 HZ PHE 7 17.468 22.626 11.521 45 H GLY 8 H GLY 8 12.975 26.029 6.911 46 HA2 GLY 8 HA2 GLY 8 15.410 27.536 6.248 47 HA3 GLY 8 HA3 GLY 8 13.786 28.182 6.399 48 H ALA 9 H ALA 9 13.225 29.165 8.194 49 HA ALA 9 HA ALA 9 14.950 28.821 10.552 50 HB1 ALA 9 HB1 ALA 9 15.173 31.047 9.558 51 HB2 ALA 9 HB2 ALA 9 14.415 31.137 11.147 52 HB3 ALA 9 HB3 ALA 9 13.432 31.287 9.690 53 H GLY 10 H GLY 10 11.727 29.091 9.280 54 HA2 GLY 10 HA2 GLY 10 10.691 27.753 11.634 55 HA3 GLY 10 HA3 GLY 10 10.039 29.357 11.312 56 H CYS 11 H CYS 11 10.518 26.167 9.857 57 HA CYS 11 HA CYS 11 8.525 26.754 7.872 58 HB2 CYS 11 HB2 CYS 11 10.165 24.301 8.418 59 HB3 CYS 11 HB3 CYS 11 8.980 24.425 7.121 60 H THR 12 H THR 12 6.587 25.886 7.688 61 HA THR 12 HA THR 12 5.318 25.021 10.085 62 HB THR 12 HB THR 12 3.350 24.856 8.391 63 HG1 THR 12 HG1 THR 12 3.734 25.804 6.425 64 HG21 THR 12 HG21 THR 12 4.736 27.496 8.870 65 HG22 THR 12 HG22 THR 12 3.624 26.702 9.987 66 HG23 THR 12 HG23 THR 12 3.045 27.287 8.428 67 H ASP 13 H ASP 13 4.064 23.009 10.170 68 HA ASP 13 HA ASP 13 5.599 20.783 9.352 69 HB2 ASP 13 HB2 ASP 13 2.786 20.915 10.447 70 HB3 ASP 13 HB3 ASP 13 3.679 19.418 10.196 71 H VAL 14 H VAL 14 3.141 22.572 7.827 72 HA VAL 14 HA VAL 14 2.243 20.606 5.996 73 HB VAL 14 HB VAL 14 1.020 22.737 6.550 74 HG11 VAL 14 HG11 VAL 14 2.858 24.291 6.468 75 HG12 VAL 14 HG12 VAL 14 1.595 24.774 5.335 76 HG13 VAL 14 HG13 VAL 14 3.064 23.996 4.742 77 HG21 VAL 14 HG21 VAL 14 1.533 22.270 3.623 78 HG22 VAL 14 HG22 VAL 14 0.146 23.114 4.317 79 HG23 VAL 14 HG23 VAL 14 0.378 21.394 4.629 80 H CYS 15 H CYS 15 5.088 22.531 6.210 81 HA CYS 15 HA CYS 15 5.782 22.420 3.421 82 HB2 CYS 15 HB2 CYS 15 6.551 24.275 4.824 83 HB3 CYS 15 HB3 CYS 15 7.401 23.153 5.877 84 H LYS 16 H LYS 16 6.344 20.557 6.308 85 HA LYS 16 HA LYS 16 8.391 18.925 5.109 86 HB2 LYS 16 HB2 LYS 16 6.927 18.517 7.726 87 HB3 LYS 16 HB3 LYS 16 8.433 17.757 7.237 88 HG2 LYS 16 HG2 LYS 16 8.029 20.699 7.800 89 HG3 LYS 16 HG3 LYS 16 8.834 19.539 8.852 90 HD2 LYS 16 HD2 LYS 16 10.765 19.949 7.796 91 HD3 LYS 16 HD3 LYS 16 10.042 19.368 6.295 92 HE2 LYS 16 HE2 LYS 16 9.014 21.738 6.134 93 HE3 LYS 16 HE3 LYS 16 10.233 22.191 7.323 94 HZ1 LYS 16 HZ1 LYS 16 10.780 20.954 4.676 95 HZ2 LYS 16 HZ2 LYS 16 11.954 21.425 5.790 96 HZ3 LYS 16 HZ3 LYS 16 10.974 22.588 5.042 97 H GLN 17 H GLN 17 5.322 19.099 4.363 98 HA GLN 17 HA GLN 17 4.402 16.400 4.635 99 HB2 GLN 17 HB2 GLN 17 3.411 18.796 3.120 100 HB3 GLN 17 HB3 GLN 17 2.702 17.215 2.846 101 HG2 GLN 17 HG2 GLN 17 2.103 17.089 5.218 102 HG3 GLN 17 HG3 GLN 17 2.804 18.685 5.470 103 HE21 GLN 17 HE21 GLN 17 0.743 19.371 6.219 104 HE22 GLN 17 HE22 GLN 17 -0.525 19.760 5.107 105 H THR 18 H THR 18 3.537 15.390 2.455 106 HA THR 18 HA THR 18 5.420 15.624 0.268 107 HB THR 18 HB THR 18 5.097 12.968 1.700 108 HG1 THR 18 HG1 THR 18 6.779 15.061 2.103 109 HG21 THR 18 HG21 THR 18 5.425 12.771 -0.739 110 HG22 THR 18 HG22 THR 18 6.833 12.192 0.151 111 HG23 THR 18 HG23 THR 18 6.868 13.777 -0.620 112 HA PRO 19 HA PRO 19 5.199 16.016 -1.698 113 HB2 PRO 19 HB2 PRO 19 3.030 17.567 -2.926 114 HB3 PRO 19 HB3 PRO 19 4.369 16.717 -3.703 115 HG2 PRO 19 HG2 PRO 19 1.831 15.841 -3.887 116 HG3 PRO 19 HG3 PRO 19 3.210 14.728 -3.824 117 HD2 PRO 19 HD2 PRO 19 1.329 15.536 -1.637 118 HD3 PRO 19 HD3 PRO 19 1.954 13.924 -2.048 119 H CYS 20 H CYS 20 5.617 18.348 -1.603 120 HA CYS 20 HA CYS 20 5.287 19.382 0.921 121 HB2 CYS 20 HB2 CYS 20 6.925 20.032 -0.887 122 HB3 CYS 20 HB3 CYS 20 5.654 21.060 -1.538 123 H GLY 21 H GLY 21 3.583 20.088 1.933 124 HA2 GLY 21 HA2 GLY 21 1.116 20.476 0.586 125 HA3 GLY 21 HA3 GLY 21 1.418 20.644 2.307 126 H CYS 22 H CYS 22 3.688 22.589 1.420 127 HA CYS 22 HA CYS 22 2.326 24.976 1.901 128 HB2 CYS 22 HB2 CYS 22 4.972 24.430 0.574 129 HB3 CYS 22 HB3 CYS 22 4.378 26.064 0.831 130 H ALA 23 H ALA 23 2.857 23.241 -1.074 131 HA ALA 23 HA ALA 23 2.204 25.501 -2.737 132 HB1 ALA 23 HB1 ALA 23 2.524 24.000 -4.608 133 HB2 ALA 23 HB2 ALA 23 2.579 22.617 -3.514 134 HB3 ALA 23 HB3 ALA 23 3.851 23.837 -3.457 135 H THR 24 H THR 24 0.348 23.137 -1.119 136 HA THR 24 HA THR 24 -1.888 23.750 -2.929 137 HB THR 24 HB THR 24 -1.262 21.396 -3.171 138 HG1 THR 24 HG1 THR 24 -3.739 22.023 -1.949 139 HG21 THR 24 HG21 THR 24 -1.886 21.176 -0.221 140 HG22 THR 24 HG22 THR 24 -0.297 21.002 -0.963 141 HG23 THR 24 HG23 THR 24 -1.561 19.820 -1.301 142 H SER 25 H SER 25 -0.781 23.759 0.319 143 HA SER 25 HA SER 25 -3.511 24.239 1.287 144 HB2 SER 25 HB2 SER 25 -2.344 22.450 2.460 145 HB3 SER 25 HB3 SER 25 -1.006 23.536 2.819 146 HG SER 25 HG SER 25 -3.205 24.729 3.661 147 H GLY 26 H GLY 26 -0.410 25.725 0.819 148 HA2 GLY 26 HA2 GLY 26 -0.660 28.212 0.713 149 HA3 GLY 26 HA3 GLY 26 -1.363 28.070 2.320 150 H CYS 27 H CYS 27 1.415 28.555 0.571 151 HA CYS 27 HA CYS 27 3.403 27.458 2.210 152 HB2 CYS 27 HB2 CYS 27 3.626 28.402 -0.126 153 HB3 CYS 27 HB3 CYS 27 3.580 30.003 0.600 154 H ASN 28 H ASN 28 3.747 27.925 4.333 155 HA ASN 28 HA ASN 28 3.256 30.691 5.203 156 HB2 ASN 28 HB2 ASN 28 1.352 29.089 5.717 157 HB3 ASN 28 HB3 ASN 28 2.445 28.286 6.833 158 HD21 ASN 28 HD21 ASN 28 2.851 29.219 8.800 159 HD22 ASN 28 HD22 ASN 28 2.039 30.632 9.372 160 H CYS 29 H CYS 29 5.703 28.761 4.759 161 HA CYS 29 HA CYS 29 6.867 28.878 7.416 162 HB2 CYS 29 HB2 CYS 29 8.865 27.888 6.295 163 HB3 CYS 29 HB3 CYS 29 7.400 26.911 6.113 164 H THR 30 H THR 30 9.386 29.531 7.108 165 HA THR 30 HA THR 30 9.327 32.360 6.589 166 HB THR 30 HB THR 30 11.772 32.166 7.237 167 HG1 THR 30 HG1 THR 30 11.500 29.707 6.677 168 HG21 THR 30 HG21 THR 30 11.284 31.735 9.618 169 HG22 THR 30 HG22 THR 30 9.719 31.061 9.166 170 HG23 THR 30 HG23 THR 30 10.060 32.768 8.880 171 H ASP 31 H ASP 31 10.614 33.397 4.967 172 HA ASP 31 HA ASP 31 10.806 31.872 2.557 173 HB2 ASP 31 HB2 ASP 31 10.253 34.290 2.553 174 HB3 ASP 31 HB3 ASP 31 11.894 34.640 3.084 175 H ASP 32 H ASP 32 12.827 32.299 5.193 176 HA ASP 32 HA ASP 32 15.369 31.920 3.993 177 HB2 ASP 32 HB2 ASP 32 15.084 32.714 6.322 178 HB3 ASP 32 HB3 ASP 32 14.431 31.141 6.768 179 H CYS 33 H CYS 33 12.680 29.958 4.227 180 HA CYS 33 HA CYS 33 13.483 27.394 4.585 181 HB2 CYS 33 HB2 CYS 33 11.185 27.939 4.196 182 HB3 CYS 33 HB3 CYS 33 11.564 28.581 2.599 183 H LYS 34 H LYS 34 14.839 26.055 3.626 184 HA LYS 34 HA LYS 34 16.037 26.784 1.070 185 HB2 LYS 34 HB2 LYS 34 16.886 24.804 3.184 186 HB3 LYS 34 HB3 LYS 34 17.754 25.097 1.682 187 HG2 LYS 34 HG2 LYS 34 17.260 27.103 3.869 188 HG3 LYS 34 HG3 LYS 34 18.784 26.274 3.536 189 HD2 LYS 34 HD2 LYS 34 18.925 27.345 1.366 190 HD3 LYS 34 HD3 LYS 34 17.347 28.098 1.606 191 HE2 LYS 34 HE2 LYS 34 18.931 29.745 2.090 192 HE3 LYS 34 HE3 LYS 34 18.310 29.196 3.638 193 HZ1 LYS 34 HZ1 LYS 34 20.867 28.334 2.410 194 HZ2 LYS 34 HZ2 LYS 34 20.268 27.793 3.891 195 HZ3 LYS 34 HZ3 LYS 34 20.712 29.413 3.701 196 H CYS 35 H CYS 35 13.325 25.524 1.319 197 HA CYS 35 HA CYS 35 13.835 22.884 0.184 198 HB2 CYS 35 HB2 CYS 35 12.072 23.254 1.996 199 HB3 CYS 35 HB3 CYS 35 11.178 24.211 0.825 200 H GLN 36 H GLN 36 12.581 22.434 -1.874 201 HA GLN 36 HA GLN 36 12.309 24.917 -3.420 202 HB2 GLN 36 HB2 GLN 36 13.391 22.304 -4.443 203 HB3 GLN 36 HB3 GLN 36 13.200 23.788 -5.369 204 HG2 GLN 36 HG2 GLN 36 14.791 24.890 -3.836 205 HG3 GLN 36 HG3 GLN 36 15.045 23.336 -3.045 206 HE21 GLN 36 HE21 GLN 36 16.042 21.680 -4.171 207 HE22 GLN 36 HE22 GLN 36 17.007 21.981 -5.573 208 H SER 37 H SER 37 10.696 22.519 -2.089 209 HA SER 37 HA SER 37 9.052 21.711 -4.292 210 HB2 SER 37 HB2 SER 37 8.616 21.327 -1.330 211 HB3 SER 37 HB3 SER 37 7.812 20.456 -2.639 212 HG SER 37 HG SER 37 10.125 19.894 -1.456 213 H CYS 38 H CYS 38 9.047 24.204 -1.900 214 HA CYS 38 HA CYS 38 6.379 25.043 -2.749 215 HB2 CYS 38 HB2 CYS 38 6.593 26.589 -0.756 216 HB3 CYS 38 HB3 CYS 38 6.530 24.870 -0.384 217 H LYS 39 H LYS 39 9.602 25.493 -3.317 218 HA LYS 39 HA LYS 39 9.276 28.293 -4.180 219 HB2 LYS 39 HB2 LYS 39 11.962 27.005 -3.856 220 HB3 LYS 39 HB3 LYS 39 11.514 28.692 -3.663 221 HG2 LYS 39 HG2 LYS 39 10.826 26.485 -1.733 222 HG3 LYS 39 HG3 LYS 39 12.189 27.583 -1.565 223 HD2 LYS 39 HD2 LYS 39 9.309 28.426 -1.672 224 HD3 LYS 39 HD3 LYS 39 10.218 28.179 -0.192 225 HE2 LYS 39 HE2 LYS 39 11.858 29.877 -0.974 226 HE3 LYS 39 HE3 LYS 39 10.796 30.207 -2.342 227 HZ1 LYS 39 HZ1 LYS 39 9.116 31.006 -0.899 228 HZ2 LYS 39 HZ2 LYS 39 10.550 31.751 -0.381 229 HZ3 LYS 39 HZ3 LYS 39 9.910 30.442 0.478 230 H TYR 40 H TYR 40 8.454 25.905 -5.618 231 HA TYR 40 HA TYR 40 10.209 24.889 -7.474 232 HB2 TYR 40 HB2 TYR 40 8.206 24.466 -8.921 233 HB3 TYR 40 HB3 TYR 40 8.037 23.910 -7.261 234 HD1 TYR 40 HD1 TYR 40 6.813 26.224 -9.800 235 HD2 TYR 40 HD2 TYR 40 6.512 25.085 -5.709 236 HE1 TYR 40 HE1 TYR 40 4.710 27.482 -9.609 237 HE2 TYR 40 HE2 TYR 40 4.408 26.341 -5.510 238 HH TYR 40 HH TYR 40 3.260 28.195 -6.617 239 H GLY 41 H GLY 41 10.923 25.384 -9.471 240 HA2 GLY 41 HA2 GLY 41 10.327 27.105 -11.363 241 HA3 GLY 41 HA3 GLY 41 10.881 28.230 -10.124 242 H ALA 42 H ALA 42 12.786 26.414 -9.013 243 HA ALA 42 HA ALA 42 14.943 26.789 -10.921 244 HB1 ALA 42 HB1 ALA 42 15.254 27.476 -8.581 245 HB2 ALA 42 HB2 ALA 42 16.405 26.225 -9.047 246 HB3 ALA 42 HB3 ALA 42 15.002 25.810 -8.063 247 H GLY 43 H GLY 43 12.755 24.669 -11.001 248 HA2 GLY 43 HA2 GLY 43 14.549 22.456 -11.610 249 HA3 GLY 43 HA3 GLY 43 13.209 22.174 -10.533 250 H CYS 44 H CYS 44 11.997 24.333 -12.590 251 HA CYS 44 HA CYS 44 11.099 22.212 -14.416 252 HB2 CYS 44 HB2 CYS 44 9.420 23.924 -12.654 253 HB3 CYS 44 HB3 CYS 44 8.791 23.467 -14.235 254 H THR 45 H THR 45 9.512 23.215 -16.058 255 HA THR 45 HA THR 45 10.366 25.798 -17.033 256 HB THR 45 HB THR 45 11.929 24.190 -18.106 257 HG1 THR 45 HG1 THR 45 11.745 25.449 -19.773 258 HG21 THR 45 HG21 THR 45 11.067 22.515 -19.679 259 HG22 THR 45 HG22 THR 45 9.417 22.923 -19.205 260 HG23 THR 45 HG23 THR 45 10.517 22.195 -18.035 261 H ASP 46 H ASP 46 9.013 26.241 -19.065 262 HA ASP 46 HA ASP 46 6.259 25.918 -18.312 263 HB2 ASP 46 HB2 ASP 46 7.542 27.207 -20.716 264 HB3 ASP 46 HB3 ASP 46 5.807 27.205 -20.428 265 H THR 47 H THR 47 8.414 24.205 -20.268 266 HA THR 47 HA THR 47 6.510 23.077 -22.070 267 HB THR 47 HB THR 47 9.228 21.931 -21.426 268 HG1 THR 47 HG1 THR 47 8.706 24.035 -23.282 269 HG21 THR 47 HG21 THR 47 7.815 20.673 -22.986 270 HG22 THR 47 HG22 THR 47 9.199 21.377 -23.823 271 HG23 THR 47 HG23 THR 47 7.606 22.119 -23.972 272 H CYS 48 H CYS 48 7.468 22.433 -18.835 273 HA CYS 48 HA CYS 48 6.683 19.630 -18.907 274 HB2 CYS 48 HB2 CYS 48 8.620 20.133 -17.569 275 HB3 CYS 48 HB3 CYS 48 7.749 21.378 -16.684 276 H LYS 49 H LYS 49 5.412 22.705 -17.930 277 HA LYS 49 HA LYS 49 3.376 21.620 -16.225 278 HB2 LYS 49 HB2 LYS 49 2.607 23.870 -15.979 279 HB3 LYS 49 HB3 LYS 49 4.363 23.875 -15.919 280 HG2 LYS 49 HG2 LYS 49 4.319 24.513 -18.363 281 HG3 LYS 49 HG3 LYS 49 2.586 24.777 -18.164 282 HD2 LYS 49 HD2 LYS 49 4.793 26.143 -16.633 283 HD3 LYS 49 HD3 LYS 49 3.813 26.861 -17.910 284 HE2 LYS 49 HE2 LYS 49 1.827 26.692 -16.557 285 HE3 LYS 49 HE3 LYS 49 2.699 25.782 -15.324 286 HZ1 LYS 49 HZ1 LYS 49 2.404 28.119 -14.729 287 HZ2 LYS 49 HZ2 LYS 49 3.289 28.587 -16.089 288 HZ3 LYS 49 HZ3 LYS 49 4.036 27.707 -14.858 289 H GLN 50 H GLN 50 3.687 21.386 -19.429 290 HA GLN 50 HA GLN 50 1.094 22.125 -20.336 291 HB2 GLN 50 HB2 GLN 50 2.991 20.196 -21.652 292 HB3 GLN 50 HB3 GLN 50 1.739 21.166 -22.414 293 HG2 GLN 50 HG2 GLN 50 3.091 23.178 -21.540 294 HG3 GLN 50 HG3 GLN 50 4.397 22.013 -21.356 295 HE21 GLN 50 HE21 GLN 50 4.365 24.243 -23.051 296 HE22 GLN 50 HE22 GLN 50 4.460 23.672 -24.679 297 H THR 51 H THR 51 -0.062 20.175 -21.593 298 HA THR 51 HA THR 51 -0.203 17.853 -19.815 299 HB THR 51 HB THR 51 -2.646 19.281 -20.911 300 HG1 THR 51 HG1 THR 51 -2.480 20.473 -19.176 301 HG21 THR 51 HG21 THR 51 -2.953 16.862 -20.616 302 HG22 THR 51 HG22 THR 51 -3.888 17.767 -19.426 303 HG23 THR 51 HG23 THR 51 -2.378 16.990 -18.954 304 HA PRO 52 HA PRO 52 -0.437 15.804 -19.787 305 HB2 PRO 52 HB2 PRO 52 1.504 14.022 -21.076 306 HB3 PRO 52 HB3 PRO 52 0.018 13.613 -20.216 307 HG2 PRO 52 HG2 PRO 52 0.256 13.333 -22.892 308 HG3 PRO 52 HG3 PRO 52 -1.275 13.755 -22.110 309 HD2 PRO 52 HD2 PRO 52 0.677 15.522 -23.528 310 HD3 PRO 52 HD3 PRO 52 -1.098 15.525 -23.595 311 H CYS 53 H CYS 53 2.233 16.237 -22.074 312 HA CYS 53 HA CYS 53 3.610 18.071 -20.430 313 HB2 CYS 53 HB2 CYS 53 4.043 15.800 -19.299 314 HB3 CYS 53 HB3 CYS 53 4.995 15.409 -20.722 315 H GLY 54 H GLY 54 5.124 19.177 -21.677 316 HA2 GLY 54 HA2 GLY 54 5.314 18.317 -24.462 317 HA3 GLY 54 HA3 GLY 54 5.767 19.886 -23.815 318 H CYS 55 H CYS 55 7.209 18.354 -21.574 319 HA CYS 55 HA CYS 55 9.762 18.516 -22.755 320 HB2 CYS 55 HB2 CYS 55 8.814 17.556 -20.073 321 HB3 CYS 55 HB3 CYS 55 10.513 17.584 -20.529 322 H GLY 56 H GLY 56 7.502 16.008 -22.747 323 HA2 GLY 56 HA2 GLY 56 9.270 13.787 -22.723 324 HA3 GLY 56 HA3 GLY 56 7.654 13.809 -23.422 325 H SER 57 H SER 57 8.255 16.074 -25.133 326 HA SER 57 HA SER 57 9.665 14.645 -27.248 327 HB2 SER 57 HB2 SER 57 8.024 17.184 -27.370 328 HB3 SER 57 HB3 SER 57 8.637 16.275 -28.750 329 HG SER 57 HG SER 57 7.326 14.525 -28.095 330 H GLY 58 H GLY 58 10.308 16.903 -24.913 331 HA2 GLY 58 HA2 GLY 58 12.903 17.444 -25.659 332 HA3 GLY 58 HA3 GLY 58 11.934 18.732 -26.361 333 H CYS 59 H CYS 59 13.216 17.369 -23.490 334 HA CYS 59 HA CYS 59 11.768 19.003 -21.661 335 HB2 CYS 59 HB2 CYS 59 12.594 16.916 -20.880 336 HB3 CYS 59 HB3 CYS 59 14.235 17.296 -21.389 337 H ASN 60 H ASN 60 12.450 20.791 -20.542 338 HA ASN 60 HA ASN 60 15.030 21.981 -21.200 339 HB2 ASN 60 HB2 ASN 60 13.024 22.797 -22.740 340 HB3 ASN 60 HB3 ASN 60 12.640 23.785 -21.334 341 HD21 ASN 60 HD21 ASN 60 14.115 25.402 -20.687 342 HD22 ASN 60 HD22 ASN 60 15.333 25.995 -21.757 343 H CYS 61 H CYS 61 13.750 20.726 -18.864 344 HA CYS 61 HA CYS 61 13.061 22.794 -17.022 345 HB2 CYS 61 HB2 CYS 61 13.587 19.853 -16.761 346 HB3 CYS 61 HB3 CYS 61 13.447 20.857 -15.323 347 H LYS 62 H LYS 62 14.346 22.364 -14.737 348 HA LYS 62 HA LYS 62 16.989 23.455 -15.354 349 HB2 LYS 62 HB2 LYS 62 15.505 23.434 -12.734 350 HB3 LYS 62 HB3 LYS 62 16.960 24.327 -13.075 351 HG2 LYS 62 HG2 LYS 62 14.908 25.036 -14.957 352 HG3 LYS 62 HG3 LYS 62 14.317 25.196 -13.298 353 HD2 LYS 62 HD2 LYS 62 15.316 27.287 -14.021 354 HD3 LYS 62 HD3 LYS 62 16.296 26.563 -12.747 355 HE2 LYS 62 HE2 LYS 62 17.822 25.686 -14.437 356 HE3 LYS 62 HE3 LYS 62 16.845 26.429 -15.702 357 HZ1 LYS 62 HZ1 LYS 62 17.327 28.598 -14.748 358 HZ2 LYS 62 HZ2 LYS 62 18.753 27.793 -15.154 359 HZ3 LYS 62 HZ3 LYS 62 18.269 27.878 -13.540 360 H GLU 63 H GLU 63 15.832 21.622 -12.539 361 HA GLU 63 HA GLU 63 17.444 19.328 -12.924 362 HB2 GLU 63 HB2 GLU 63 18.781 21.628 -11.815 363 HB3 GLU 63 HB3 GLU 63 18.683 20.374 -10.591 364 HG2 GLU 63 HG2 GLU 63 19.730 19.810 -13.353 365 HG3 GLU 63 HG3 GLU 63 20.764 20.435 -12.069 366 H ASP 64 H ASP 64 15.667 21.437 -10.796 367 HA ASP 64 HA ASP 64 15.034 19.288 -8.922 368 HB2 ASP 64 HB2 ASP 64 15.583 21.598 -8.099 369 HB3 ASP 64 HB3 ASP 64 14.187 22.207 -8.943 370 H CYS 65 H CYS 65 14.024 18.484 -11.255 371 HA CYS 65 HA CYS 65 11.242 19.365 -11.452 372 HB2 CYS 65 HB2 CYS 65 12.399 19.031 -13.567 373 HB3 CYS 65 HB3 CYS 65 12.780 17.368 -13.129 374 H ARG 66 H ARG 66 9.480 18.141 -11.004 375 HA ARG 66 HA ARG 66 9.957 15.789 -9.302 376 HB2 ARG 66 HB2 ARG 66 7.721 17.811 -9.410 377 HB3 ARG 66 HB3 ARG 66 7.601 16.310 -8.496 378 HG2 ARG 66 HG2 ARG 66 9.211 16.940 -6.988 379 HG3 ARG 66 HG3 ARG 66 9.918 18.123 -8.082 380 HD2 ARG 66 HD2 ARG 66 7.976 19.586 -7.775 381 HD3 ARG 66 HD3 ARG 66 7.239 18.390 -6.698 382 HE ARG 66 HE ARG 66 8.586 19.131 -5.025 383 HH11 ARG 66 HH11 ARG 66 9.947 20.219 -8.070 384 HH12 ARG 66 HH12 ARG 66 11.358 20.917 -7.337 385 HH21 ARG 66 HH21 ARG 66 10.514 20.052 -4.073 386 HH22 ARG 66 HH22 ARG 66 11.674 20.813 -5.119 387 H CYS 67 H CYS 67 9.537 16.130 -12.350 388 HA CYS 67 HA CYS 67 7.232 14.340 -12.600 389 HB2 CYS 67 HB2 CYS 67 7.189 16.487 -13.851 390 HB3 CYS 67 HB3 CYS 67 8.591 15.933 -14.754 391 H GLN 68 H GLN 68 7.490 12.339 -13.175 392 HA GLN 68 HA GLN 68 10.145 11.375 -13.875 393 HB2 GLN 68 HB2 GLN 68 9.160 9.115 -13.554 394 HB3 GLN 68 HB3 GLN 68 9.022 10.132 -12.132 395 HG2 GLN 68 HG2 GLN 68 6.774 9.842 -14.100 396 HG3 GLN 68 HG3 GLN 68 7.000 8.693 -12.781 397 HE21 GLN 68 HE21 GLN 68 7.925 10.796 -10.952 398 HE22 GLN 68 HE22 GLN 68 6.516 11.700 -10.541 399 H SER 69 H SER 69 8.080 12.812 -15.699 400 HA SER 69 HA SER 69 7.780 10.781 -17.767 401 HB2 SER 69 HB2 SER 69 5.833 12.239 -17.244 402 HB3 SER 69 HB3 SER 69 6.770 13.650 -17.725 403 HG SER 69 HG SER 69 5.706 13.150 -19.528 404 H CYS 70 H CYS 70 9.587 13.707 -17.065 405 HA CYS 70 HA CYS 70 10.928 13.368 -19.645 406 HB2 CYS 70 HB2 CYS 70 11.377 15.815 -19.591 407 HB3 CYS 70 HB3 CYS 70 9.675 15.396 -19.668 408 H SER 71 H SER 71 11.368 13.555 -16.220 409 HA SER 71 HA SER 71 14.137 14.209 -16.220 410 HB2 SER 71 HB2 SER 71 12.518 12.690 -14.162 411 HB3 SER 71 HB3 SER 71 14.120 13.380 -13.902 412 HG SER 71 HG SER 71 11.663 14.590 -13.919 413 H THR 72 H THR 72 15.695 12.410 -15.049 414 HA THR 72 HA THR 72 15.735 10.276 -17.028 415 HB THR 72 HB THR 72 17.789 11.618 -16.727 416 HG1 THR 72 HG1 THR 72 18.640 9.778 -17.298 417 HG21 THR 72 HG21 THR 72 17.548 12.191 -14.377 418 HG22 THR 72 HG22 THR 72 19.097 11.390 -14.651 419 HG23 THR 72 HG23 THR 72 17.764 10.500 -13.924 420 H ALA 73 H ALA 73 16.524 8.125 -16.207 421 HA ALA 73 HA ALA 73 14.669 7.096 -14.372 422 HB1 ALA 73 HB1 ALA 73 17.271 5.872 -15.284 423 HB2 ALA 73 HB2 ALA 73 15.725 5.742 -16.122 424 HB3 ALA 73 HB3 ALA 73 15.926 5.019 -14.526 425 H CYS 74 H CYS 74 14.612 7.457 -12.329 426 HA CYS 74 HA CYS 74 16.726 8.445 -10.777 427 HB2 CYS 74 HB2 CYS 74 14.185 7.080 -9.905 428 HB3 CYS 74 HB3 CYS 74 15.219 8.094 -8.900 429 H LYS 75 H LYS 75 17.188 7.236 -8.575 430 HA LYS 75 HA LYS 75 18.484 4.797 -9.403 431 HB2 LYS 75 HB2 LYS 75 18.748 6.543 -6.989 432 HB3 LYS 75 HB3 LYS 75 19.433 4.921 -7.000 433 HG2 LYS 75 HG2 LYS 75 20.081 7.144 -8.926 434 HG3 LYS 75 HG3 LYS 75 21.109 6.556 -7.613 435 HD2 LYS 75 HD2 LYS 75 21.272 4.383 -8.677 436 HD3 LYS 75 HD3 LYS 75 20.177 4.887 -9.957 437 HE2 LYS 75 HE2 LYS 75 21.815 6.673 -10.542 438 HE3 LYS 75 HE3 LYS 75 22.932 5.935 -9.392 439 HZ1 LYS 75 HZ1 LYS 75 23.383 5.135 -11.589 440 HZ2 LYS 75 HZ2 LYS 75 21.778 4.656 -11.802 441 HZ3 LYS 75 HZ3 LYS 75 22.752 3.862 -10.669 442 H CYS 76 H CYS 76 15.543 5.106 -8.838 443 HA CYS 76 HA CYS 76 15.305 3.068 -6.841 444 HB2 CYS 76 HB2 CYS 76 12.827 3.285 -7.436 445 HB3 CYS 76 HB3 CYS 76 13.595 4.617 -6.600 446 H ALA 77 H ALA 77 15.702 1.121 -7.393 447 HA ALA 77 HA ALA 77 14.346 -0.408 -9.297 448 HB1 ALA 77 HB1 ALA 77 17.133 0.369 -10.197 449 HB2 ALA 77 HB2 ALA 77 15.631 0.866 -10.977 450 HB3 ALA 77 HB3 ALA 77 16.099 -0.834 -10.968 451 H ALA 78 H ALA 78 14.851 -2.604 -9.031 452 HA ALA 78 HA ALA 78 15.602 -4.457 -7.916 453 HB1 ALA 78 HB1 ALA 78 18.015 -4.751 -7.797 454 HB2 ALA 78 HB2 ALA 78 18.255 -3.022 -8.050 455 HB3 ALA 78 HB3 ALA 78 17.562 -4.012 -9.333 456 H GLY 79 H GLY 79 14.528 -2.398 -6.250 457 HA2 GLY 79 HA2 GLY 79 14.276 -1.952 -4.003 458 HA3 GLY 79 HA3 GLY 79 15.350 -3.308 -3.697 459 H SER 80 H SER 80 16.452 -0.691 -5.683 460 HA SER 80 HA SER 80 18.470 -0.096 -3.672 461 HB2 SER 80 HB2 SER 80 19.194 -0.658 -5.965 462 HB3 SER 80 HB3 SER 80 18.305 0.735 -6.571 463 HG SER 80 HG SER 80 19.671 1.968 -5.016 464 H CYS 81 H CYS 81 15.484 1.066 -4.246 465 HA CYS 81 HA CYS 81 15.964 3.831 -4.461 466 HB2 CYS 81 HB2 CYS 81 13.775 2.466 -4.774 467 HB3 CYS 81 HB3 CYS 81 13.572 2.758 -3.053 468 H LYS 82 H LYS 82 16.779 5.133 -2.790 469 HA LYS 82 HA LYS 82 16.723 3.969 -0.078 470 HB2 LYS 82 HB2 LYS 82 18.852 4.991 0.353 471 HB3 LYS 82 HB3 LYS 82 18.927 3.928 -1.045 472 HG2 LYS 82 HG2 LYS 82 18.692 5.950 -2.489 473 HG3 LYS 82 HG3 LYS 82 18.877 6.929 -1.027 474 HD2 LYS 82 HD2 LYS 82 20.985 5.823 -0.570 475 HD3 LYS 82 HD3 LYS 82 20.800 4.876 -2.043 476 HE2 LYS 82 HE2 LYS 82 22.273 6.634 -2.607 477 HE3 LYS 82 HE3 LYS 82 20.714 7.090 -3.289 478 HZ1 LYS 82 HZ1 LYS 82 20.370 8.644 -1.539 479 HZ2 LYS 82 HZ2 LYS 82 21.943 8.894 -2.100 480 HZ3 LYS 82 HZ3 LYS 82 21.687 8.053 -0.664 481 H CYS 83 H CYS 83 15.288 6.330 -1.717 482 HA CYS 83 HA CYS 83 15.744 8.502 0.115 483 HB2 CYS 83 HB2 CYS 83 13.919 9.587 -1.191 484 HB3 CYS 83 HB3 CYS 83 15.265 9.018 -2.173 485 H GLY 84 H GLY 84 13.542 5.822 -0.207 486 HA2 GLY 84 HA2 GLY 84 12.540 5.098 1.915 487 HA3 GLY 84 HA3 GLY 84 12.176 6.789 2.231 488 H LYS 85 H LYS 85 11.813 5.685 -0.971 489 HA LYS 85 HA LYS 85 8.911 5.906 -0.680 490 HB2 LYS 85 HB2 LYS 85 10.641 6.019 -3.148 491 HB3 LYS 85 HB3 LYS 85 8.899 6.221 -3.119 492 HG2 LYS 85 HG2 LYS 85 10.884 8.042 -1.766 493 HG3 LYS 85 HG3 LYS 85 10.100 8.350 -3.314 494 HD2 LYS 85 HD2 LYS 85 8.625 9.478 -2.033 495 HD3 LYS 85 HD3 LYS 85 7.944 7.872 -1.777 496 HE2 LYS 85 HE2 LYS 85 8.162 9.012 0.342 497 HE3 LYS 85 HE3 LYS 85 9.292 7.661 0.281 498 HZ1 LYS 85 HZ1 LYS 85 11.059 9.225 -0.270 499 HZ2 LYS 85 HZ2 LYS 85 10.327 9.638 1.196 500 HZ3 LYS 85 HZ3 LYS 85 9.970 10.511 -0.201 501 H GLY 86 H GLY 86 11.431 3.852 -2.086 502 HA2 GLY 86 HA2 GLY 86 11.448 1.565 -2.405 503 HA3 GLY 86 HA3 GLY 86 9.876 1.488 -1.625 504 H CYS 87 H CYS 87 10.472 3.559 -4.354 505 HA CYS 87 HA CYS 87 8.277 2.474 -5.818 506 HB2 CYS 87 HB2 CYS 87 10.444 4.158 -7.034 507 HB3 CYS 87 HB3 CYS 87 8.726 4.135 -7.412 508 H THR 88 H THR 88 11.740 2.296 -6.128 509 HA THR 88 HA THR 88 13.172 1.066 -7.342 510 HB THR 88 HB THR 88 12.795 -1.323 -7.492 511 HG1 THR 88 HG1 THR 88 10.135 -0.542 -7.371 512 HG21 THR 88 HG21 THR 88 13.384 -0.419 -5.321 513 HG22 THR 88 HG22 THR 88 12.311 -1.809 -5.138 514 HG23 THR 88 HG23 THR 88 11.680 -0.173 -4.939 515 H GLY 89 H GLY 89 11.995 2.787 -8.926 516 HA2 GLY 89 HA2 GLY 89 12.456 2.044 -11.454 517 HA3 GLY 89 HA3 GLY 89 10.812 1.448 -11.233 518 HA PRO 90 HA PRO 90 11.137 6.203 -11.958 519 HB2 PRO 90 HB2 PRO 90 11.404 6.506 -14.601 520 HB3 PRO 90 HB3 PRO 90 12.812 6.230 -13.567 521 HG2 PRO 90 HG2 PRO 90 11.291 4.267 -15.252 522 HG3 PRO 90 HG3 PRO 90 13.048 4.490 -15.124 523 HD2 PRO 90 HD2 PRO 90 11.696 2.549 -13.780 524 HD3 PRO 90 HD3 PRO 90 13.169 3.312 -13.146 525 H ASP 91 H ASP 91 9.319 3.628 -12.919 526 HA ASP 91 HA ASP 91 7.274 5.149 -14.329 527 HB2 ASP 91 HB2 ASP 91 7.398 2.206 -13.656 528 HB3 ASP 91 HB3 ASP 91 6.207 2.980 -14.690 529 H SER 92 H SER 92 7.980 3.934 -11.202 530 HA SER 92 HA SER 92 5.218 4.515 -10.356 531 HB2 SER 92 HB2 SER 92 6.993 2.312 -9.287 532 HB3 SER 92 HB3 SER 92 5.344 2.670 -8.767 533 HG SER 92 HG SER 92 5.254 2.416 -11.384 534 H CYS 93 H CYS 93 7.795 6.099 -10.289 535 HA CYS 93 HA CYS 93 8.216 6.262 -7.415 536 HB2 CYS 93 HB2 CYS 93 10.153 7.623 -7.938 537 HB3 CYS 93 HB3 CYS 93 10.204 6.112 -8.842 538 H LYS 94 H LYS 94 7.981 8.124 -6.295 539 HA LYS 94 HA LYS 94 6.490 10.279 -7.630 540 HB2 LYS 94 HB2 LYS 94 6.146 9.232 -4.813 541 HB3 LYS 94 HB3 LYS 94 5.371 10.678 -5.432 542 HG2 LYS 94 HG2 LYS 94 3.690 9.110 -5.689 543 HG3 LYS 94 HG3 LYS 94 4.476 9.109 -7.271 544 HD2 LYS 94 HD2 LYS 94 3.992 6.838 -6.534 545 HD3 LYS 94 HD3 LYS 94 5.724 7.120 -6.693 546 HE2 LYS 94 HE2 LYS 94 5.323 5.857 -4.689 547 HE3 LYS 94 HE3 LYS 94 5.840 7.471 -4.230 548 HZ1 LYS 94 HZ1 LYS 94 3.051 6.453 -4.238 549 HZ2 LYS 94 HZ2 LYS 94 3.497 8.041 -3.844 550 HZ3 LYS 94 HZ3 LYS 94 4.012 6.752 -2.880 551 H CYS 95 H CYS 95 9.357 9.928 -7.187 552 HA CYS 95 HA CYS 95 9.874 12.167 -5.372 553 HB2 CYS 95 HB2 CYS 95 12.275 11.243 -5.446 554 HB3 CYS 95 HB3 CYS 95 11.076 10.342 -4.529 555 H ASP 96 H ASP 96 11.795 13.525 -6.007 556 HA ASP 96 HA ASP 96 11.584 14.190 -8.843 557 HB2 ASP 96 HB2 ASP 96 12.662 16.341 -8.187 558 HB3 ASP 96 HB3 ASP 96 11.145 16.042 -7.355 559 H ARG 97 H ARG 97 13.719 15.239 -9.693 560 HA ARG 97 HA ARG 97 15.700 13.109 -9.542 561 HB2 ARG 97 HB2 ARG 97 16.818 14.309 -11.400 562 HB3 ARG 97 HB3 ARG 97 15.167 13.804 -11.745 563 HG2 ARG 97 HG2 ARG 97 14.387 16.046 -11.330 564 HG3 ARG 97 HG3 ARG 97 16.030 16.551 -10.927 565 HD2 ARG 97 HD2 ARG 97 15.339 15.309 -13.552 566 HD3 ARG 97 HD3 ARG 97 15.165 17.035 -13.263 567 HE ARG 97 HE ARG 97 17.750 16.422 -12.533 568 HH11 ARG 97 HH11 ARG 97 15.786 16.177 -15.441 569 HH12 ARG 97 HH12 ARG 97 17.119 16.413 -16.515 570 HH21 ARG 97 HH21 ARG 97 19.505 16.785 -13.960 571 HH22 ARG 97 HH22 ARG 97 19.242 16.741 -15.681 572 H SER 98 H SER 98 15.232 15.570 -7.646 573 HA SER 98 HA SER 98 18.106 15.928 -7.188 574 HB2 SER 98 HB2 SER 98 17.015 18.036 -7.906 575 HB3 SER 98 HB3 SER 98 15.848 17.876 -6.597 576 HG SER 98 HG SER 98 17.790 17.848 -5.194 577 H CYS 99 H CYS 99 16.097 13.928 -6.458 578 HA CYS 99 HA CYS 99 15.337 14.329 -3.742 579 HB2 CYS 99 HB2 CYS 99 14.117 12.978 -5.517 580 HB3 CYS 99 HB3 CYS 99 15.349 11.747 -5.284 581 H SER 100 H SER 100 15.793 12.229 -2.331 582 HA SER 100 HA SER 100 18.489 12.442 -1.548 583 HB2 SER 100 HB2 SER 100 16.461 10.369 -0.708 584 HB3 SER 100 HB3 SER 100 17.906 10.857 0.183 585 HG SER 100 HG SER 100 16.814 12.463 0.976 586 H CYS 101 H CYS 101 16.971 10.405 -3.869 587 HA CYS 101 HA CYS 101 19.249 8.560 -3.790 588 HB2 CYS 101 HB2 CYS 101 17.940 7.143 -5.309 589 HB3 CYS 101 HB3 CYS 101 17.055 7.505 -3.834 590 H LYS 102 H LYS 102 17.684 10.959 -5.807 591 HA LYS 102 HA LYS 102 19.543 10.560 -8.004 592 HB2 LYS 102 HB2 LYS 102 17.203 12.383 -7.537 593 HB3 LYS 102 HB3 LYS 102 18.334 12.721 -8.834 594 HG2 LYS 102 HG2 LYS 102 17.267 9.981 -8.745 595 HG3 LYS 102 HG3 LYS 102 16.101 11.239 -9.116 596 HD2 LYS 102 HD2 LYS 102 17.065 10.359 -11.199 597 HD3 LYS 102 HD3 LYS 102 17.550 12.036 -10.966 598 HE2 LYS 102 HE2 LYS 102 19.710 11.342 -10.172 599 HE3 LYS 102 HE3 LYS 102 19.231 9.645 -10.244 600 HZ1 LYS 102 HZ1 LYS 102 20.621 10.344 -12.112 601 HZ2 LYS 102 HZ2 LYS 102 19.447 11.463 -12.575 602 HZ3 LYS 102 HZ3 LYS 102 19.108 9.804 -12.623 Start of MODEL 19 1 HA2 GLY 1 HA2 GLY 1 22.853 27.958 9.346 2 HA3 GLY 1 HA3 GLY 1 22.361 26.839 10.611 3 H SER 2 H SER 2 21.777 25.001 8.171 4 HA SER 2 HA SER 2 24.492 24.247 7.456 5 HB2 SER 2 HB2 SER 2 23.915 23.005 9.563 6 HB3 SER 2 HB3 SER 2 22.545 22.288 8.717 7 HG SER 2 HG SER 2 25.303 21.884 8.327 8 H MET 3 H MET 3 24.390 22.456 5.762 9 HA MET 3 HA MET 3 22.509 23.237 3.757 10 HB2 MET 3 HB2 MET 3 24.518 20.983 3.801 11 HB3 MET 3 HB3 MET 3 23.567 21.431 2.394 12 HG2 MET 3 HG2 MET 3 24.601 23.656 2.426 13 HG3 MET 3 HG3 MET 3 25.578 23.165 3.809 14 HE1 MET 3 HE1 MET 3 26.818 24.379 1.133 15 HE2 MET 3 HE2 MET 3 28.204 23.311 0.909 16 HE3 MET 3 HE3 MET 3 27.782 23.880 2.523 17 H SER 4 H SER 4 22.285 21.149 6.332 18 HA SER 4 HA SER 4 20.439 19.299 5.094 19 HB2 SER 4 HB2 SER 4 20.262 18.431 7.463 20 HB3 SER 4 HB3 SER 4 21.886 18.382 6.774 21 HG SER 4 HG SER 4 22.095 19.259 8.785 22 H SER 5 H SER 5 20.341 22.388 6.460 23 HA SER 5 HA SER 5 17.685 22.148 7.558 24 HB2 SER 5 HB2 SER 5 19.368 24.637 7.159 25 HB3 SER 5 HB3 SER 5 17.917 24.500 8.152 26 HG SER 5 HG SER 5 19.408 22.632 9.074 27 H VAL 6 H VAL 6 16.685 21.421 5.641 28 HA VAL 6 HA VAL 6 16.403 23.270 3.436 29 HB VAL 6 HB VAL 6 16.468 20.785 3.153 30 HG11 VAL 6 HG11 VAL 6 13.722 20.880 4.387 31 HG12 VAL 6 HG12 VAL 6 15.156 20.099 5.056 32 HG13 VAL 6 HG13 VAL 6 14.425 19.482 3.574 33 HG21 VAL 6 HG21 VAL 6 15.595 22.185 1.371 34 HG22 VAL 6 HG22 VAL 6 13.994 22.170 2.114 35 HG23 VAL 6 HG23 VAL 6 14.676 20.681 1.460 36 H PHE 7 H PHE 7 14.945 22.643 6.397 37 HA PHE 7 HA PHE 7 12.364 23.775 5.729 38 HB2 PHE 7 HB2 PHE 7 11.997 23.397 8.242 39 HB3 PHE 7 HB3 PHE 7 12.210 21.963 7.241 40 HD1 PHE 7 HD1 PHE 7 13.830 24.165 9.706 41 HD2 PHE 7 HD2 PHE 7 14.094 20.537 7.501 42 HE1 PHE 7 HE1 PHE 7 15.713 23.447 11.111 43 HE2 PHE 7 HE2 PHE 7 15.972 19.815 8.904 44 HZ PHE 7 HZ PHE 7 16.787 21.270 10.711 45 H GLY 8 H GLY 8 11.529 25.463 7.271 46 HA2 GLY 8 HA2 GLY 8 13.568 27.557 7.521 47 HA3 GLY 8 HA3 GLY 8 11.835 27.819 7.415 48 H ALA 9 H ALA 9 10.995 28.527 9.224 49 HA ALA 9 HA ALA 9 12.099 27.539 11.767 50 HB1 ALA 9 HB1 ALA 9 12.770 29.866 11.358 51 HB2 ALA 9 HB2 ALA 9 11.698 29.727 12.751 52 HB3 ALA 9 HB3 ALA 9 11.073 30.322 11.213 53 H GLY 10 H GLY 10 9.567 27.312 9.820 54 HA2 GLY 10 HA2 GLY 10 7.801 26.413 11.831 55 HA3 GLY 10 HA3 GLY 10 7.305 28.001 11.264 56 H CYS 11 H CYS 11 8.531 25.014 9.767 57 HA CYS 11 HA CYS 11 6.800 25.414 7.505 58 HB2 CYS 11 HB2 CYS 11 8.514 23.032 8.197 59 HB3 CYS 11 HB3 CYS 11 7.823 23.417 6.624 60 H THR 12 H THR 12 5.060 24.107 6.923 61 HA THR 12 HA THR 12 3.624 22.945 9.125 62 HB THR 12 HB THR 12 1.829 22.593 7.462 63 HG1 THR 12 HG1 THR 12 3.276 23.958 5.484 64 HG21 THR 12 HG21 THR 12 2.148 24.798 8.594 65 HG22 THR 12 HG22 THR 12 1.346 24.899 7.030 66 HG23 THR 12 HG23 THR 12 3.049 25.341 7.176 67 H ASP 13 H ASP 13 2.437 20.792 8.653 68 HA ASP 13 HA ASP 13 4.392 18.774 8.129 69 HB2 ASP 13 HB2 ASP 13 1.411 18.606 8.600 70 HB3 ASP 13 HB3 ASP 13 2.415 17.191 8.314 71 H VAL 14 H VAL 14 2.133 20.533 6.302 72 HA VAL 14 HA VAL 14 1.749 18.790 4.112 73 HB VAL 14 HB VAL 14 1.826 21.820 4.003 74 HG11 VAL 14 HG11 VAL 14 0.214 21.556 2.191 75 HG12 VAL 14 HG12 VAL 14 0.306 19.803 2.364 76 HG13 VAL 14 HG13 VAL 14 1.724 20.712 1.841 77 HG21 VAL 14 HG21 VAL 14 -0.568 21.799 4.510 78 HG22 VAL 14 HG22 VAL 14 0.378 21.138 5.845 79 HG23 VAL 14 HG23 VAL 14 -0.499 20.055 4.765 80 H CYS 15 H CYS 15 4.266 20.966 5.101 81 HA CYS 15 HA CYS 15 5.694 20.975 2.631 82 HB2 CYS 15 HB2 CYS 15 5.856 22.854 4.157 83 HB3 CYS 15 HB3 CYS 15 6.411 21.804 5.451 84 H LYS 16 H LYS 16 5.607 19.041 5.533 85 HA LYS 16 HA LYS 16 8.116 17.707 4.998 86 HB2 LYS 16 HB2 LYS 16 5.997 16.850 6.979 87 HB3 LYS 16 HB3 LYS 16 7.703 16.436 6.990 88 HG2 LYS 16 HG2 LYS 16 6.609 19.211 7.419 89 HG3 LYS 16 HG3 LYS 16 7.064 18.100 8.705 90 HD2 LYS 16 HD2 LYS 16 9.346 18.291 8.225 91 HD3 LYS 16 HD3 LYS 16 9.049 18.849 6.576 92 HE2 LYS 16 HE2 LYS 16 9.791 20.711 7.922 93 HE3 LYS 16 HE3 LYS 16 8.090 20.912 7.468 94 HZ1 LYS 16 HZ1 LYS 16 8.491 21.463 9.811 95 HZ2 LYS 16 HZ2 LYS 16 9.038 19.896 10.098 96 HZ3 LYS 16 HZ3 LYS 16 7.434 20.159 9.648 97 H GLN 17 H GLN 17 5.180 17.540 3.580 98 HA GLN 17 HA GLN 17 4.714 14.745 3.348 99 HB2 GLN 17 HB2 GLN 17 3.869 17.081 1.657 100 HB3 GLN 17 HB3 GLN 17 3.493 15.439 1.175 101 HG2 GLN 17 HG2 GLN 17 2.308 15.172 3.362 102 HG3 GLN 17 HG3 GLN 17 2.559 16.895 3.634 103 HE21 GLN 17 HE21 GLN 17 0.356 17.322 3.653 104 HE22 GLN 17 HE22 GLN 17 -0.617 17.296 2.223 105 H THR 18 H THR 18 4.718 13.763 1.042 106 HA THR 18 HA THR 18 7.005 14.468 -0.553 107 HB THR 18 HB THR 18 6.950 11.745 0.781 108 HG1 THR 18 HG1 THR 18 7.972 14.137 1.578 109 HG21 THR 18 HG21 THR 18 9.157 11.462 -0.256 110 HG22 THR 18 HG22 THR 18 9.009 13.047 -1.014 111 HG23 THR 18 HG23 THR 18 7.920 11.741 -1.483 112 HA PRO 19 HA PRO 19 7.186 14.889 -2.477 113 HB2 PRO 19 HB2 PRO 19 5.160 16.028 -4.247 114 HB3 PRO 19 HB3 PRO 19 6.771 15.427 -4.650 115 HG2 PRO 19 HG2 PRO 19 4.511 14.149 -5.415 116 HG3 PRO 19 HG3 PRO 19 6.019 13.290 -5.050 117 HD2 PRO 19 HD2 PRO 19 3.593 13.672 -3.332 118 HD3 PRO 19 HD3 PRO 19 4.571 12.212 -3.591 119 H CYS 20 H CYS 20 7.173 17.140 -2.060 120 HA CYS 20 HA CYS 20 5.871 17.979 0.180 121 HB2 CYS 20 HB2 CYS 20 7.841 19.020 -0.985 122 HB3 CYS 20 HB3 CYS 20 6.690 19.792 -2.070 123 H GLY 21 H GLY 21 3.835 18.431 0.626 124 HA2 GLY 21 HA2 GLY 21 1.920 18.375 -1.498 125 HA3 GLY 21 HA3 GLY 21 1.584 18.407 0.226 126 H CYS 22 H CYS 22 3.637 20.815 0.043 127 HA CYS 22 HA CYS 22 1.665 22.827 0.108 128 HB2 CYS 22 HB2 CYS 22 4.625 22.769 0.067 129 HB3 CYS 22 HB3 CYS 22 3.810 24.316 -0.193 130 H ALA 23 H ALA 23 3.363 21.361 -2.485 131 HA ALA 23 HA ALA 23 2.790 23.558 -4.315 132 HB1 ALA 23 HB1 ALA 23 4.151 20.912 -4.799 133 HB2 ALA 23 HB2 ALA 23 4.963 22.441 -4.467 134 HB3 ALA 23 HB3 ALA 23 4.034 22.240 -5.953 135 H THR 24 H THR 24 1.239 20.885 -3.094 136 HA THR 24 HA THR 24 -0.351 20.465 -5.502 137 HB THR 24 HB THR 24 -0.041 18.700 -3.075 138 HG1 THR 24 HG1 THR 24 1.478 17.582 -4.247 139 HG21 THR 24 HG21 THR 24 -1.141 18.157 -5.817 140 HG22 THR 24 HG22 THR 24 -2.088 18.394 -4.346 141 HG23 THR 24 HG23 THR 24 -1.016 16.997 -4.490 142 H SER 25 H SER 25 -0.425 21.151 -2.067 143 HA SER 25 HA SER 25 -3.351 21.384 -2.120 144 HB2 SER 25 HB2 SER 25 -2.286 19.746 -0.530 145 HB3 SER 25 HB3 SER 25 -1.533 21.108 0.285 146 HG SER 25 HG SER 25 -4.040 21.755 0.152 147 H GLY 26 H GLY 26 -0.368 23.101 -1.392 148 HA2 GLY 26 HA2 GLY 26 -0.715 25.587 -1.807 149 HA3 GLY 26 HA3 GLY 26 -1.929 25.443 -0.544 150 H CYS 27 H CYS 27 0.584 27.004 -0.662 151 HA CYS 27 HA CYS 27 2.238 25.729 1.366 152 HB2 CYS 27 HB2 CYS 27 3.401 26.829 -0.454 153 HB3 CYS 27 HB3 CYS 27 2.567 28.341 -0.115 154 H ASN 28 H ASN 28 2.712 26.664 3.381 155 HA ASN 28 HA ASN 28 1.078 28.899 4.310 156 HB2 ASN 28 HB2 ASN 28 -0.293 26.828 4.620 157 HB3 ASN 28 HB3 ASN 28 0.977 26.183 5.648 158 HD21 ASN 28 HD21 ASN 28 -0.171 26.052 7.493 159 HD22 ASN 28 HD22 ASN 28 -0.806 27.418 8.343 160 H CYS 29 H CYS 29 3.994 28.017 3.943 161 HA CYS 29 HA CYS 29 5.023 27.967 6.656 162 HB2 CYS 29 HB2 CYS 29 6.452 27.960 4.005 163 HB3 CYS 29 HB3 CYS 29 7.224 27.770 5.575 164 H THR 30 H THR 30 7.115 29.324 6.951 165 HA THR 30 HA THR 30 6.365 32.116 6.588 166 HB THR 30 HB THR 30 8.058 32.609 8.277 167 HG1 THR 30 HG1 THR 30 9.618 31.262 8.724 168 HG21 THR 30 HG21 THR 30 6.454 30.179 9.086 169 HG22 THR 30 HG22 THR 30 5.858 31.838 9.073 170 HG23 THR 30 HG23 THR 30 7.150 31.375 10.181 171 H ASP 31 H ASP 31 8.453 33.576 6.346 172 HA ASP 31 HA ASP 31 9.517 33.086 3.760 173 HB2 ASP 31 HB2 ASP 31 10.237 35.118 5.870 174 HB3 ASP 31 HB3 ASP 31 10.942 35.101 4.259 175 H ASP 32 H ASP 32 10.463 32.057 6.825 176 HA ASP 32 HA ASP 32 13.288 31.892 6.439 177 HB2 ASP 32 HB2 ASP 32 11.611 30.216 8.310 178 HB3 ASP 32 HB3 ASP 32 13.322 30.589 8.454 179 H CYS 33 H CYS 33 10.646 30.114 5.272 180 HA CYS 33 HA CYS 33 11.681 27.514 5.267 181 HB2 CYS 33 HB2 CYS 33 9.334 27.941 4.864 182 HB3 CYS 33 HB3 CYS 33 9.720 28.785 3.368 183 H LYS 34 H LYS 34 13.351 26.729 4.300 184 HA LYS 34 HA LYS 34 14.513 28.032 1.975 185 HB2 LYS 34 HB2 LYS 34 15.571 25.678 3.532 186 HB3 LYS 34 HB3 LYS 34 16.465 26.759 2.474 187 HG2 LYS 34 HG2 LYS 34 15.233 27.504 5.118 188 HG3 LYS 34 HG3 LYS 34 16.944 27.186 4.824 189 HD2 LYS 34 HD2 LYS 34 15.542 29.252 3.195 190 HD3 LYS 34 HD3 LYS 34 16.016 29.635 4.848 191 HE2 LYS 34 HE2 LYS 34 17.686 30.309 3.204 192 HE3 LYS 34 HE3 LYS 34 18.323 29.134 4.349 193 HZ1 LYS 34 HZ1 LYS 34 18.026 27.414 2.644 194 HZ2 LYS 34 HZ2 LYS 34 19.046 28.636 2.113 195 HZ3 LYS 34 HZ3 LYS 34 17.453 28.574 1.553 196 H CYS 35 H CYS 35 12.045 26.058 2.175 197 HA CYS 35 HA CYS 35 13.131 23.827 0.730 198 HB2 CYS 35 HB2 CYS 35 11.352 23.610 2.524 199 HB3 CYS 35 HB3 CYS 35 10.219 24.227 1.321 200 H GLN 36 H GLN 36 13.359 23.759 -1.233 201 HA GLN 36 HA GLN 36 12.344 25.647 -3.108 202 HB2 GLN 36 HB2 GLN 36 13.535 24.188 -4.723 203 HB3 GLN 36 HB3 GLN 36 14.522 24.778 -3.390 204 HG2 GLN 36 HG2 GLN 36 13.727 22.464 -2.316 205 HG3 GLN 36 HG3 GLN 36 13.625 22.042 -4.020 206 HE21 GLN 36 HE21 GLN 36 15.396 21.968 -5.223 207 HE22 GLN 36 HE22 GLN 36 16.997 21.961 -4.568 208 H SER 37 H SER 37 11.062 22.862 -1.778 209 HA SER 37 HA SER 37 9.802 21.813 -4.095 210 HB2 SER 37 HB2 SER 37 9.229 21.291 -1.178 211 HB3 SER 37 HB3 SER 37 8.653 20.330 -2.540 212 HG SER 37 HG SER 37 10.968 20.051 -3.058 213 H CYS 38 H CYS 38 8.690 23.815 -1.341 214 HA CYS 38 HA CYS 38 6.144 24.106 -2.646 215 HB2 CYS 38 HB2 CYS 38 5.761 25.769 -0.677 216 HB3 CYS 38 HB3 CYS 38 5.797 24.044 -0.376 217 H LYS 39 H LYS 39 9.072 25.885 -2.250 218 HA LYS 39 HA LYS 39 7.966 28.196 -3.649 219 HB2 LYS 39 HB2 LYS 39 10.673 27.632 -2.416 220 HB3 LYS 39 HB3 LYS 39 10.358 29.069 -3.376 221 HG2 LYS 39 HG2 LYS 39 10.219 29.626 -1.043 222 HG3 LYS 39 HG3 LYS 39 8.596 29.714 -1.736 223 HD2 LYS 39 HD2 LYS 39 8.159 27.450 -0.849 224 HD3 LYS 39 HD3 LYS 39 9.756 27.463 -0.104 225 HE2 LYS 39 HE2 LYS 39 8.197 28.056 1.589 226 HE3 LYS 39 HE3 LYS 39 9.048 29.532 1.138 227 HZ1 LYS 39 HZ1 LYS 39 7.151 30.111 -0.275 228 HZ2 LYS 39 HZ2 LYS 39 6.696 29.946 1.342 229 HZ3 LYS 39 HZ3 LYS 39 6.339 28.720 0.234 230 H TYR 40 H TYR 40 7.766 25.981 -5.131 231 HA TYR 40 HA TYR 40 10.014 25.268 -6.633 232 HB2 TYR 40 HB2 TYR 40 8.470 24.147 -8.167 233 HB3 TYR 40 HB3 TYR 40 8.099 23.790 -6.489 234 HD1 TYR 40 HD1 TYR 40 6.918 25.304 -9.575 235 HD2 TYR 40 HD2 TYR 40 6.062 24.722 -5.449 236 HE1 TYR 40 HE1 TYR 40 4.575 25.922 -9.981 237 HE2 TYR 40 HE2 TYR 40 3.717 25.343 -5.843 238 HH TYR 40 HH TYR 40 2.413 26.638 -7.490 239 H GLY 41 H GLY 41 10.489 25.606 -8.791 240 HA2 GLY 41 HA2 GLY 41 9.721 27.233 -10.703 241 HA3 GLY 41 HA3 GLY 41 10.228 28.421 -9.499 242 H ALA 42 H ALA 42 12.241 26.764 -8.374 243 HA ALA 42 HA ALA 42 14.356 27.073 -10.352 244 HB1 ALA 42 HB1 ALA 42 14.705 27.989 -8.104 245 HB2 ALA 42 HB2 ALA 42 15.863 26.701 -8.445 246 HB3 ALA 42 HB3 ALA 42 14.471 26.385 -7.410 247 H GLY 43 H GLY 43 12.277 24.932 -10.343 248 HA2 GLY 43 HA2 GLY 43 14.101 22.663 -10.584 249 HA3 GLY 43 HA3 GLY 43 12.620 22.483 -9.670 250 H CYS 44 H CYS 44 11.377 24.341 -11.710 251 HA CYS 44 HA CYS 44 10.809 22.223 -13.672 252 HB2 CYS 44 HB2 CYS 44 8.922 23.862 -12.030 253 HB3 CYS 44 HB3 CYS 44 8.417 23.292 -13.616 254 H THR 45 H THR 45 9.127 23.317 -15.297 255 HA THR 45 HA THR 45 9.967 25.952 -16.137 256 HB THR 45 HB THR 45 11.553 24.427 -17.286 257 HG1 THR 45 HG1 THR 45 11.258 25.969 -18.718 258 HG21 THR 45 HG21 THR 45 10.162 22.414 -17.297 259 HG22 THR 45 HG22 THR 45 10.727 22.802 -18.921 260 HG23 THR 45 HG23 THR 45 9.067 23.171 -18.453 261 H ASP 46 H ASP 46 8.611 26.461 -18.186 262 HA ASP 46 HA ASP 46 5.855 26.049 -17.461 263 HB2 ASP 46 HB2 ASP 46 5.302 27.566 -19.256 264 HB3 ASP 46 HB3 ASP 46 6.703 28.201 -18.408 265 H THR 47 H THR 47 8.048 24.381 -19.373 266 HA THR 47 HA THR 47 6.190 23.327 -21.283 267 HB THR 47 HB THR 47 8.885 22.133 -20.670 268 HG1 THR 47 HG1 THR 47 9.780 23.767 -22.033 269 HG21 THR 47 HG21 THR 47 7.336 22.585 -23.225 270 HG22 THR 47 HG22 THR 47 7.492 21.051 -22.365 271 HG23 THR 47 HG23 THR 47 8.910 21.798 -23.103 272 H CYS 48 H CYS 48 7.173 22.536 -18.080 273 HA CYS 48 HA CYS 48 6.494 19.716 -18.272 274 HB2 CYS 48 HB2 CYS 48 8.355 20.345 -16.830 275 HB3 CYS 48 HB3 CYS 48 7.313 21.413 -15.899 276 H LYS 49 H LYS 49 5.035 22.672 -17.180 277 HA LYS 49 HA LYS 49 2.945 21.393 -15.666 278 HB2 LYS 49 HB2 LYS 49 2.081 23.634 -15.361 279 HB3 LYS 49 HB3 LYS 49 3.811 23.587 -15.044 280 HG2 LYS 49 HG2 LYS 49 4.196 24.455 -17.341 281 HG3 LYS 49 HG3 LYS 49 2.449 24.636 -17.512 282 HD2 LYS 49 HD2 LYS 49 4.166 25.956 -15.424 283 HD3 LYS 49 HD3 LYS 49 3.529 26.737 -16.870 284 HE2 LYS 49 HE2 LYS 49 1.257 26.377 -16.097 285 HE3 LYS 49 HE3 LYS 49 1.848 25.498 -14.690 286 HZ1 LYS 49 HZ1 LYS 49 2.262 28.367 -15.291 287 HZ2 LYS 49 HZ2 LYS 49 2.994 27.553 -14.007 288 HZ3 LYS 49 HZ3 LYS 49 1.314 27.718 -14.051 289 H GLN 50 H GLN 50 3.380 21.359 -18.842 290 HA GLN 50 HA GLN 50 0.849 22.276 -19.791 291 HB2 GLN 50 HB2 GLN 50 2.780 20.435 -21.169 292 HB3 GLN 50 HB3 GLN 50 1.525 21.422 -21.908 293 HG2 GLN 50 HG2 GLN 50 2.743 23.414 -20.945 294 HG3 GLN 50 HG3 GLN 50 4.074 22.304 -20.634 295 HE21 GLN 50 HE21 GLN 50 4.096 24.542 -22.297 296 HE22 GLN 50 HE22 GLN 50 4.399 24.000 -23.908 297 H THR 51 H THR 51 -0.137 20.374 -21.386 298 HA THR 51 HA THR 51 -0.598 18.048 -19.670 299 HB THR 51 HB THR 51 -2.813 19.486 -21.148 300 HG1 THR 51 HG1 THR 51 -3.051 20.687 -19.423 301 HG21 THR 51 HG21 THR 51 -3.173 17.080 -20.775 302 HG22 THR 51 HG22 THR 51 -4.278 18.054 -19.805 303 HG23 THR 51 HG23 THR 51 -2.870 17.305 -19.052 304 HA PRO 52 HA PRO 52 -0.662 16.076 -19.655 305 HB2 PRO 52 HB2 PRO 52 1.093 14.079 -20.202 306 HB3 PRO 52 HB3 PRO 52 -0.638 13.948 -20.533 307 HG2 PRO 52 HG2 PRO 52 1.603 14.600 -22.402 308 HG3 PRO 52 HG3 PRO 52 0.207 13.538 -22.657 309 HD2 PRO 52 HD2 PRO 52 0.323 16.063 -23.629 310 HD3 PRO 52 HD3 PRO 52 -1.198 15.292 -23.144 311 H CYS 53 H CYS 53 2.155 16.529 -21.768 312 HA CYS 53 HA CYS 53 3.468 18.268 -19.972 313 HB2 CYS 53 HB2 CYS 53 3.798 16.001 -18.894 314 HB3 CYS 53 HB3 CYS 53 4.753 15.562 -20.300 315 H GLY 54 H GLY 54 4.868 19.485 -21.156 316 HA2 GLY 54 HA2 GLY 54 5.237 18.741 -23.933 317 HA3 GLY 54 HA3 GLY 54 5.697 20.265 -23.182 318 H CYS 55 H CYS 55 7.070 18.765 -20.971 319 HA CYS 55 HA CYS 55 9.634 18.762 -22.144 320 HB2 CYS 55 HB2 CYS 55 8.680 17.853 -19.434 321 HB3 CYS 55 HB3 CYS 55 10.373 17.937 -19.911 322 H GLY 56 H GLY 56 7.230 16.398 -21.976 323 HA2 GLY 56 HA2 GLY 56 8.788 14.044 -21.892 324 HA3 GLY 56 HA3 GLY 56 7.182 14.183 -22.596 325 H SER 57 H SER 57 8.180 16.364 -24.391 326 HA SER 57 HA SER 57 9.610 14.660 -26.319 327 HB2 SER 57 HB2 SER 57 7.744 16.974 -26.891 328 HB3 SER 57 HB3 SER 57 8.508 15.929 -28.089 329 HG SER 57 HG SER 57 6.851 14.882 -26.050 330 H GLY 58 H GLY 58 10.079 17.106 -24.234 331 HA2 GLY 58 HA2 GLY 58 12.585 17.887 -25.108 332 HA3 GLY 58 HA3 GLY 58 11.451 19.071 -25.750 333 H CYS 59 H CYS 59 13.145 17.980 -23.002 334 HA CYS 59 HA CYS 59 11.500 19.350 -21.076 335 HB2 CYS 59 HB2 CYS 59 12.471 17.320 -20.356 336 HB3 CYS 59 HB3 CYS 59 14.077 17.807 -20.884 337 H ASN 60 H ASN 60 12.042 21.126 -19.854 338 HA ASN 60 HA ASN 60 14.438 22.668 -20.586 339 HB2 ASN 60 HB2 ASN 60 11.613 23.764 -20.556 340 HB3 ASN 60 HB3 ASN 60 13.059 24.758 -20.632 341 HD21 ASN 60 HD21 ASN 60 14.285 24.760 -22.508 342 HD22 ASN 60 HD22 ASN 60 13.639 24.206 -24.016 343 H CYS 61 H CYS 61 13.290 21.090 -18.217 344 HA CYS 61 HA CYS 61 12.651 23.003 -16.218 345 HB2 CYS 61 HB2 CYS 61 13.253 20.079 -16.159 346 HB3 CYS 61 HB3 CYS 61 13.119 20.991 -14.658 347 H LYS 62 H LYS 62 13.948 22.486 -13.988 348 HA LYS 62 HA LYS 62 16.551 23.718 -14.520 349 HB2 LYS 62 HB2 LYS 62 14.952 23.557 -11.969 350 HB3 LYS 62 HB3 LYS 62 16.405 24.496 -12.181 351 HG2 LYS 62 HG2 LYS 62 14.053 25.052 -13.933 352 HG3 LYS 62 HG3 LYS 62 14.037 25.615 -12.265 353 HD2 LYS 62 HD2 LYS 62 14.864 27.414 -13.584 354 HD3 LYS 62 HD3 LYS 62 16.260 26.733 -12.751 355 HE2 LYS 62 HE2 LYS 62 16.922 25.548 -14.732 356 HE3 LYS 62 HE3 LYS 62 15.451 26.040 -15.568 357 HZ1 LYS 62 HZ1 LYS 62 17.648 27.819 -14.666 358 HZ2 LYS 62 HZ2 LYS 62 16.217 28.344 -15.404 359 HZ3 LYS 62 HZ3 LYS 62 17.302 27.384 -16.262 360 H GLU 63 H GLU 63 15.403 21.770 -11.780 361 HA GLU 63 HA GLU 63 17.036 19.510 -12.236 362 HB2 GLU 63 HB2 GLU 63 18.737 21.360 -11.568 363 HB3 GLU 63 HB3 GLU 63 18.024 21.266 -9.968 364 HG2 GLU 63 HG2 GLU 63 19.788 19.853 -9.683 365 HG3 GLU 63 HG3 GLU 63 18.578 18.701 -10.242 366 H ASP 64 H ASP 64 15.349 21.594 -9.922 367 HA ASP 64 HA ASP 64 14.668 19.398 -8.153 368 HB2 ASP 64 HB2 ASP 64 15.042 21.809 -7.374 369 HB3 ASP 64 HB3 ASP 64 13.522 22.202 -8.124 370 H CYS 65 H CYS 65 13.761 18.528 -10.439 371 HA CYS 65 HA CYS 65 10.906 19.210 -10.634 372 HB2 CYS 65 HB2 CYS 65 12.122 19.216 -12.759 373 HB3 CYS 65 HB3 CYS 65 12.645 17.564 -12.472 374 H ARG 66 H ARG 66 9.325 17.804 -10.142 375 HA ARG 66 HA ARG 66 10.150 15.292 -8.846 376 HB2 ARG 66 HB2 ARG 66 7.673 16.979 -8.459 377 HB3 ARG 66 HB3 ARG 66 7.980 15.452 -7.641 378 HG2 ARG 66 HG2 ARG 66 9.501 16.344 -6.235 379 HG3 ARG 66 HG3 ARG 66 10.087 17.503 -7.428 380 HD2 ARG 66 HD2 ARG 66 7.540 18.384 -6.987 381 HD3 ARG 66 HD3 ARG 66 8.005 17.785 -5.390 382 HE ARG 66 HE ARG 66 10.112 19.193 -5.806 383 HH11 ARG 66 HH11 ARG 66 6.876 20.059 -6.850 384 HH12 ARG 66 HH12 ARG 66 7.223 21.740 -6.980 385 HH21 ARG 66 HH21 ARG 66 10.601 21.430 -5.995 386 HH22 ARG 66 HH22 ARG 66 9.343 22.527 -6.447 387 H CYS 67 H CYS 67 9.243 16.129 -11.749 388 HA CYS 67 HA CYS 67 7.060 14.254 -12.127 389 HB2 CYS 67 HB2 CYS 67 7.212 16.448 -13.374 390 HB3 CYS 67 HB3 CYS 67 8.603 15.795 -14.217 391 H GLN 68 H GLN 68 7.240 12.384 -13.344 392 HA GLN 68 HA GLN 68 9.979 11.404 -13.728 393 HB2 GLN 68 HB2 GLN 68 8.969 9.113 -13.651 394 HB3 GLN 68 HB3 GLN 68 8.859 10.000 -12.143 395 HG2 GLN 68 HG2 GLN 68 6.579 10.014 -14.079 396 HG3 GLN 68 HG3 GLN 68 6.813 8.647 -12.993 397 HE21 GLN 68 HE21 GLN 68 7.814 10.281 -10.811 398 HE22 GLN 68 HE22 GLN 68 6.466 11.150 -10.202 399 H SER 69 H SER 69 7.705 12.831 -15.442 400 HA SER 69 HA SER 69 7.563 10.984 -17.652 401 HB2 SER 69 HB2 SER 69 6.477 13.794 -17.418 402 HB3 SER 69 HB3 SER 69 6.047 12.591 -18.634 403 HG SER 69 HG SER 69 5.057 12.927 -16.142 404 H CYS 70 H CYS 70 9.422 13.750 -16.663 405 HA CYS 70 HA CYS 70 10.727 13.626 -19.271 406 HB2 CYS 70 HB2 CYS 70 11.171 16.047 -19.157 407 HB3 CYS 70 HB3 CYS 70 9.460 15.665 -19.172 408 H SER 71 H SER 71 11.112 13.275 -15.967 409 HA SER 71 HA SER 71 13.873 14.059 -15.811 410 HB2 SER 71 HB2 SER 71 13.796 13.021 -13.576 411 HB3 SER 71 HB3 SER 71 12.414 14.089 -13.831 412 HG SER 71 HG SER 71 11.305 12.435 -13.271 413 H THR 72 H THR 72 15.690 12.605 -15.539 414 HA THR 72 HA THR 72 15.499 10.268 -17.203 415 HB THR 72 HB THR 72 17.530 11.709 -17.279 416 HG1 THR 72 HG1 THR 72 18.432 9.927 -17.926 417 HG21 THR 72 HG21 THR 72 17.658 12.259 -14.893 418 HG22 THR 72 HG22 THR 72 19.178 11.587 -15.481 419 HG23 THR 72 HG23 THR 72 18.079 10.586 -14.531 420 H ALA 73 H ALA 73 15.936 8.170 -16.669 421 HA ALA 73 HA ALA 73 14.549 7.230 -14.461 422 HB1 ALA 73 HB1 ALA 73 14.896 5.954 -16.524 423 HB2 ALA 73 HB2 ALA 73 15.334 5.032 -15.085 424 HB3 ALA 73 HB3 ALA 73 16.593 5.744 -16.093 425 H CYS 74 H CYS 74 15.004 7.052 -12.467 426 HA CYS 74 HA CYS 74 17.505 7.613 -11.298 427 HB2 CYS 74 HB2 CYS 74 14.887 6.583 -10.302 428 HB3 CYS 74 HB3 CYS 74 16.305 6.421 -9.266 429 H LYS 75 H LYS 75 18.555 6.082 -9.701 430 HA LYS 75 HA LYS 75 19.327 3.695 -11.121 431 HB2 LYS 75 HB2 LYS 75 20.247 4.914 -8.518 432 HB3 LYS 75 HB3 LYS 75 20.870 3.389 -9.131 433 HG2 LYS 75 HG2 LYS 75 21.042 6.036 -10.551 434 HG3 LYS 75 HG3 LYS 75 22.346 5.268 -9.638 435 HD2 LYS 75 HD2 LYS 75 22.434 3.439 -11.157 436 HD3 LYS 75 HD3 LYS 75 20.955 3.957 -11.958 437 HE2 LYS 75 HE2 LYS 75 22.140 6.066 -12.613 438 HE3 LYS 75 HE3 LYS 75 23.626 5.357 -11.983 439 HZ1 LYS 75 HZ1 LYS 75 23.343 3.534 -13.584 440 HZ2 LYS 75 HZ2 LYS 75 23.500 5.033 -14.338 441 HZ3 LYS 75 HZ3 LYS 75 21.980 4.310 -14.220 442 H CYS 76 H CYS 76 16.716 4.291 -9.462 443 HA CYS 76 HA CYS 76 16.713 2.214 -7.569 444 HB2 CYS 76 HB2 CYS 76 14.342 3.561 -8.863 445 HB3 CYS 76 HB3 CYS 76 14.332 2.658 -7.362 446 H ALA 77 H ALA 77 16.646 0.140 -8.044 447 HA ALA 77 HA ALA 77 14.789 -1.058 -9.815 448 HB1 ALA 77 HB1 ALA 77 17.668 -1.075 -10.739 449 HB2 ALA 77 HB2 ALA 77 16.344 -0.212 -11.524 450 HB3 ALA 77 HB3 ALA 77 16.340 -1.975 -11.473 451 H ALA 78 H ALA 78 14.446 -3.092 -9.130 452 HA ALA 78 HA ALA 78 14.610 -5.016 -7.939 453 HB1 ALA 78 HB1 ALA 78 16.702 -6.243 -8.087 454 HB2 ALA 78 HB2 ALA 78 17.553 -4.771 -8.557 455 HB3 ALA 78 HB3 ALA 78 16.334 -5.465 -9.628 456 H GLY 79 H GLY 79 14.960 -2.439 -6.469 457 HA2 GLY 79 HA2 GLY 79 14.872 -2.331 -4.073 458 HA3 GLY 79 HA3 GLY 79 16.033 -3.644 -4.009 459 H SER 80 H SER 80 16.908 -1.359 -6.332 460 HA SER 80 HA SER 80 19.088 -0.472 -4.704 461 HB2 SER 80 HB2 SER 80 18.351 0.024 -7.578 462 HB3 SER 80 HB3 SER 80 19.819 0.625 -6.819 463 HG SER 80 HG SER 80 19.588 -1.978 -6.293 464 H CYS 81 H CYS 81 16.235 0.533 -4.216 465 HA CYS 81 HA CYS 81 16.485 3.359 -4.746 466 HB2 CYS 81 HB2 CYS 81 14.251 2.560 -4.698 467 HB3 CYS 81 HB3 CYS 81 14.502 1.731 -3.166 468 H LYS 82 H LYS 82 17.603 4.729 -3.370 469 HA LYS 82 HA LYS 82 18.176 3.662 -0.699 470 HB2 LYS 82 HB2 LYS 82 20.324 4.942 -0.729 471 HB3 LYS 82 HB3 LYS 82 20.245 3.607 -1.858 472 HG2 LYS 82 HG2 LYS 82 19.651 6.413 -2.741 473 HG3 LYS 82 HG3 LYS 82 21.308 5.831 -2.609 474 HD2 LYS 82 HD2 LYS 82 19.139 4.570 -4.299 475 HD3 LYS 82 HD3 LYS 82 20.415 5.625 -4.902 476 HE2 LYS 82 HE2 LYS 82 20.803 2.936 -3.578 477 HE3 LYS 82 HE3 LYS 82 20.937 3.272 -5.298 478 HZ1 LYS 82 HZ1 LYS 82 22.668 4.433 -3.186 479 HZ2 LYS 82 HZ2 LYS 82 22.803 4.724 -4.844 480 HZ3 LYS 82 HZ3 LYS 82 23.093 3.175 -4.231 481 H CYS 83 H CYS 83 16.138 5.719 -1.867 482 HA CYS 83 HA CYS 83 16.822 7.952 -0.115 483 HB2 CYS 83 HB2 CYS 83 15.217 9.219 -1.224 484 HB3 CYS 83 HB3 CYS 83 15.792 8.151 -2.495 485 H GLY 84 H GLY 84 14.580 5.269 -0.370 486 HA2 GLY 84 HA2 GLY 84 13.924 4.377 1.868 487 HA3 GLY 84 HA3 GLY 84 13.472 6.029 2.260 488 H LYS 85 H LYS 85 12.534 5.997 -0.774 489 HA LYS 85 HA LYS 85 9.792 5.465 -0.070 490 HB2 LYS 85 HB2 LYS 85 11.044 6.380 -2.656 491 HB3 LYS 85 HB3 LYS 85 9.313 6.194 -2.421 492 HG2 LYS 85 HG2 LYS 85 11.115 8.066 -0.895 493 HG3 LYS 85 HG3 LYS 85 9.996 8.515 -2.184 494 HD2 LYS 85 HD2 LYS 85 9.141 7.183 0.388 495 HD3 LYS 85 HD3 LYS 85 9.153 8.926 0.144 496 HE2 LYS 85 HE2 LYS 85 7.692 7.105 -1.739 497 HE3 LYS 85 HE3 LYS 85 6.951 7.654 -0.239 498 HZ1 LYS 85 HZ1 LYS 85 7.139 9.895 -0.933 499 HZ2 LYS 85 HZ2 LYS 85 6.427 9.044 -2.199 500 HZ3 LYS 85 HZ3 LYS 85 8.057 9.491 -2.296 501 H GLY 86 H GLY 86 12.270 3.788 -1.812 502 HA2 GLY 86 HA2 GLY 86 12.299 1.591 -2.516 503 HA3 GLY 86 HA3 GLY 86 10.679 1.404 -1.856 504 H CYS 87 H CYS 87 11.759 3.746 -4.258 505 HA CYS 87 HA CYS 87 9.604 3.413 -5.989 506 HB2 CYS 87 HB2 CYS 87 12.358 4.226 -6.876 507 HB3 CYS 87 HB3 CYS 87 10.803 4.779 -7.491 508 H THR 88 H THR 88 12.912 2.251 -6.335 509 HA THR 88 HA THR 88 13.897 0.675 -7.615 510 HB THR 88 HB THR 88 12.930 -1.563 -7.598 511 HG1 THR 88 HG1 THR 88 10.581 -0.155 -7.269 512 HG21 THR 88 HG21 THR 88 13.993 -0.761 -5.560 513 HG22 THR 88 HG22 THR 88 12.653 -1.842 -5.177 514 HG23 THR 88 HG23 THR 88 12.457 -0.097 -5.003 515 H GLY 89 H GLY 89 12.625 2.653 -9.074 516 HA2 GLY 89 HA2 GLY 89 12.856 1.903 -11.640 517 HA3 GLY 89 HA3 GLY 89 11.212 1.384 -11.279 518 HA PRO 90 HA PRO 90 11.933 6.140 -12.150 519 HB2 PRO 90 HB2 PRO 90 11.327 6.218 -14.817 520 HB3 PRO 90 HB3 PRO 90 12.969 6.090 -14.179 521 HG2 PRO 90 HG2 PRO 90 11.165 3.932 -15.204 522 HG3 PRO 90 HG3 PRO 90 12.896 4.179 -15.497 523 HD2 PRO 90 HD2 PRO 90 12.021 2.369 -13.727 524 HD3 PRO 90 HD3 PRO 90 13.498 3.309 -13.440 525 H ASP 91 H ASP 91 9.524 3.872 -13.396 526 HA ASP 91 HA ASP 91 7.508 5.950 -13.539 527 HB2 ASP 91 HB2 ASP 91 7.444 4.144 -15.181 528 HB3 ASP 91 HB3 ASP 91 7.270 2.955 -13.898 529 H SER 92 H SER 92 8.777 3.898 -11.216 530 HA SER 92 HA SER 92 6.393 4.088 -9.525 531 HB2 SER 92 HB2 SER 92 8.923 2.486 -9.085 532 HB3 SER 92 HB3 SER 92 7.434 2.380 -8.146 533 HG SER 92 HG SER 92 6.801 2.033 -10.696 534 H CYS 93 H CYS 93 8.850 5.968 -10.259 535 HA CYS 93 HA CYS 93 9.939 6.573 -7.691 536 HB2 CYS 93 HB2 CYS 93 10.163 7.890 -10.379 537 HB3 CYS 93 HB3 CYS 93 10.911 8.569 -8.933 538 H LYS 94 H LYS 94 9.381 7.993 -6.300 539 HA LYS 94 HA LYS 94 7.342 9.989 -6.965 540 HB2 LYS 94 HB2 LYS 94 7.405 8.161 -4.551 541 HB3 LYS 94 HB3 LYS 94 6.394 9.597 -4.650 542 HG2 LYS 94 HG2 LYS 94 4.838 8.487 -5.769 543 HG3 LYS 94 HG3 LYS 94 6.012 7.997 -6.990 544 HD2 LYS 94 HD2 LYS 94 5.065 6.013 -6.074 545 HD3 LYS 94 HD3 LYS 94 6.705 6.148 -5.442 546 HE2 LYS 94 HE2 LYS 94 5.868 6.996 -3.346 547 HE3 LYS 94 HE3 LYS 94 4.225 7.031 -3.983 548 HZ1 LYS 94 HZ1 LYS 94 4.333 4.617 -4.216 549 HZ2 LYS 94 HZ2 LYS 94 4.545 5.104 -2.614 550 HZ3 LYS 94 HZ3 LYS 94 5.875 4.612 -3.528 551 H CYS 95 H CYS 95 10.049 10.261 -7.014 552 HA CYS 95 HA CYS 95 10.534 12.113 -4.818 553 HB2 CYS 95 HB2 CYS 95 13.017 11.285 -5.061 554 HB3 CYS 95 HB3 CYS 95 11.888 10.391 -4.054 555 H ASP 96 H ASP 96 12.541 13.540 -5.442 556 HA ASP 96 HA ASP 96 12.009 14.401 -8.182 557 HB2 ASP 96 HB2 ASP 96 12.999 16.571 -7.533 558 HB3 ASP 96 HB3 ASP 96 11.631 16.125 -6.527 559 H ARG 97 H ARG 97 14.033 15.737 -9.046 560 HA ARG 97 HA ARG 97 15.930 13.683 -9.735 561 HB2 ARG 97 HB2 ARG 97 16.311 16.563 -10.455 562 HB3 ARG 97 HB3 ARG 97 16.734 15.130 -11.370 563 HG2 ARG 97 HG2 ARG 97 14.240 14.738 -11.626 564 HG3 ARG 97 HG3 ARG 97 14.033 16.377 -11.008 565 HD2 ARG 97 HD2 ARG 97 14.991 15.453 -13.641 566 HD3 ARG 97 HD3 ARG 97 14.146 16.930 -13.208 567 HE ARG 97 HE ARG 97 16.887 16.888 -12.345 568 HH11 ARG 97 HH11 ARG 97 14.676 17.665 -14.966 569 HH12 ARG 97 HH12 ARG 97 15.799 18.692 -15.785 570 HH21 ARG 97 HH21 ARG 97 18.395 18.284 -13.448 571 HH22 ARG 97 HH22 ARG 97 17.895 19.046 -14.925 572 H SER 98 H SER 98 15.803 15.817 -7.170 573 HA SER 98 HA SER 98 18.724 15.909 -6.941 574 HB2 SER 98 HB2 SER 98 16.570 17.550 -5.592 575 HB3 SER 98 HB3 SER 98 18.300 17.710 -5.273 576 HG SER 98 HG SER 98 16.805 18.403 -7.540 577 H CYS 99 H CYS 99 16.398 13.890 -6.199 578 HA CYS 99 HA CYS 99 16.571 13.582 -3.386 579 HB2 CYS 99 HB2 CYS 99 14.855 12.653 -5.209 580 HB3 CYS 99 HB3 CYS 99 15.914 11.254 -5.119 581 H SER 100 H SER 100 17.334 11.432 -2.436 582 HA SER 100 HA SER 100 20.128 11.277 -2.731 583 HB2 SER 100 HB2 SER 100 18.279 9.307 -1.382 584 HB3 SER 100 HB3 SER 100 20.012 9.479 -1.096 585 HG SER 100 HG SER 100 18.455 10.588 0.385 586 H CYS 101 H CYS 101 17.660 9.794 -4.519 587 HA CYS 101 HA CYS 101 19.026 7.413 -5.274 588 HB2 CYS 101 HB2 CYS 101 16.865 8.811 -6.825 589 HB3 CYS 101 HB3 CYS 101 17.229 7.086 -6.769 590 H LYS 102 H LYS 102 19.161 10.711 -6.276 591 HA LYS 102 HA LYS 102 20.584 10.009 -8.735 592 HB2 LYS 102 HB2 LYS 102 19.388 12.554 -7.695 593 HB3 LYS 102 HB3 LYS 102 20.551 12.571 -9.017 594 HG2 LYS 102 HG2 LYS 102 18.101 10.851 -9.099 595 HG3 LYS 102 HG3 LYS 102 18.077 12.540 -9.614 596 HD2 LYS 102 HD2 LYS 102 19.417 12.150 -11.436 597 HD3 LYS 102 HD3 LYS 102 20.209 10.755 -10.697 598 HE2 LYS 102 HE2 LYS 102 18.704 10.163 -12.590 599 HE3 LYS 102 HE3 LYS 102 18.272 9.390 -11.071 600 HZ1 LYS 102 HZ1 LYS 102 16.468 10.879 -10.779 601 HZ2 LYS 102 HZ2 LYS 102 16.367 10.313 -12.372 602 HZ3 LYS 102 HZ3 LYS 102 16.971 11.862 -12.063 Start of MODEL 20 1 HA2 GLY 1 HA2 GLY 1 8.499 5.157 10.788 2 HA3 GLY 1 HA3 GLY 1 9.515 5.129 12.221 3 H SER 2 H SER 2 11.214 4.592 9.348 4 HA SER 2 HA SER 2 12.692 6.998 9.622 5 HB2 SER 2 HB2 SER 2 12.691 5.030 7.325 6 HB3 SER 2 HB3 SER 2 13.951 6.206 7.703 7 HG SER 2 HG SER 2 13.933 5.022 9.854 8 H MET 3 H MET 3 11.596 8.827 9.247 9 HA MET 3 HA MET 3 10.315 9.129 6.616 10 HB2 MET 3 HB2 MET 3 8.612 9.127 8.359 11 HB3 MET 3 HB3 MET 3 9.495 10.350 9.260 12 HG2 MET 3 HG2 MET 3 9.146 11.925 7.387 13 HG3 MET 3 HG3 MET 3 8.172 10.699 6.580 14 HE1 MET 3 HE1 MET 3 6.219 12.504 6.382 15 HE2 MET 3 HE2 MET 3 7.183 13.698 7.251 16 HE3 MET 3 HE3 MET 3 5.530 13.359 7.762 17 H SER 4 H SER 4 10.902 10.888 5.447 18 HA SER 4 HA SER 4 13.198 12.348 6.305 19 HB2 SER 4 HB2 SER 4 12.891 13.528 4.101 20 HB3 SER 4 HB3 SER 4 13.015 11.772 3.973 21 HG SER 4 HG SER 4 10.563 13.190 4.091 22 H SER 5 H SER 5 13.012 13.922 7.767 23 HA SER 5 HA SER 5 10.625 15.365 8.245 24 HB2 SER 5 HB2 SER 5 13.459 16.022 9.094 25 HB3 SER 5 HB3 SER 5 11.979 16.671 9.807 26 HG SER 5 HG SER 5 12.996 14.824 10.909 27 H VAL 6 H VAL 6 9.869 16.502 6.600 28 HA VAL 6 HA VAL 6 11.596 17.874 4.764 29 HB VAL 6 HB VAL 6 9.677 16.593 3.967 30 HG11 VAL 6 HG11 VAL 6 7.987 18.664 5.348 31 HG12 VAL 6 HG12 VAL 6 8.125 16.959 5.776 32 HG13 VAL 6 HG13 VAL 6 7.394 17.427 4.240 33 HG21 VAL 6 HG21 VAL 6 8.751 18.259 2.418 34 HG22 VAL 6 HG22 VAL 6 10.506 18.362 2.562 35 HG23 VAL 6 HG23 VAL 6 9.482 19.539 3.385 36 H PHE 7 H PHE 7 9.627 18.848 7.495 37 HA PHE 7 HA PHE 7 9.752 21.629 6.607 38 HB2 PHE 7 HB2 PHE 7 8.448 20.600 9.127 39 HB3 PHE 7 HB3 PHE 7 8.238 22.187 8.381 40 HD1 PHE 7 HD1 PHE 7 6.849 18.999 8.748 41 HD2 PHE 7 HD2 PHE 7 7.389 22.088 5.873 42 HE1 PHE 7 HE1 PHE 7 4.960 18.115 7.451 43 HE2 PHE 7 HE2 PHE 7 5.496 21.213 4.572 44 HZ PHE 7 HZ PHE 7 4.278 19.223 5.358 45 H GLY 8 H GLY 8 10.649 23.267 7.808 46 HA2 GLY 8 HA2 GLY 8 13.012 22.476 9.316 47 HA3 GLY 8 HA3 GLY 8 12.600 24.074 8.747 48 H ALA 9 H ALA 9 11.978 25.468 10.145 49 HA ALA 9 HA ALA 9 10.566 24.614 12.558 50 HB1 ALA 9 HB1 ALA 9 11.918 26.126 13.932 51 HB2 ALA 9 HB2 ALA 9 12.910 26.517 12.527 52 HB3 ALA 9 HB3 ALA 9 12.916 24.880 13.183 53 H GLY 10 H GLY 10 11.410 27.117 10.252 54 HA2 GLY 10 HA2 GLY 10 9.137 28.684 11.222 55 HA3 GLY 10 HA3 GLY 10 10.523 29.349 10.374 56 H CYS 11 H CYS 11 8.599 26.451 9.529 57 HA CYS 11 HA CYS 11 8.193 27.541 6.900 58 HB2 CYS 11 HB2 CYS 11 7.107 25.037 8.190 59 HB3 CYS 11 HB3 CYS 11 6.988 25.444 6.481 60 H THR 12 H THR 12 6.133 27.953 5.993 61 HA THR 12 HA THR 12 4.345 29.243 7.815 62 HB THR 12 HB THR 12 3.018 29.749 5.810 63 HG1 THR 12 HG1 THR 12 4.728 28.762 3.941 64 HG21 THR 12 HG21 THR 12 4.900 31.191 6.311 65 HG22 THR 12 HG22 THR 12 4.739 31.003 4.562 66 HG23 THR 12 HG23 THR 12 5.990 30.116 5.435 67 H ASP 13 H ASP 13 1.982 28.768 7.698 68 HA ASP 13 HA ASP 13 1.491 25.992 8.182 69 HB2 ASP 13 HB2 ASP 13 -0.485 28.271 7.875 70 HB3 ASP 13 HB3 ASP 13 -0.843 26.680 8.538 71 H VAL 14 H VAL 14 1.564 28.035 5.551 72 HA VAL 14 HA VAL 14 -0.253 26.689 3.818 73 HB VAL 14 HB VAL 14 2.037 28.513 3.058 74 HG11 VAL 14 HG11 VAL 14 0.632 29.072 1.147 75 HG12 VAL 14 HG12 VAL 14 -0.587 27.927 1.708 76 HG13 VAL 14 HG13 VAL 14 1.000 27.349 1.198 77 HG21 VAL 14 HG21 VAL 14 0.441 30.370 3.211 78 HG22 VAL 14 HG22 VAL 14 0.723 29.610 4.775 79 HG23 VAL 14 HG23 VAL 14 -0.760 29.271 3.885 80 H CYS 15 H CYS 15 3.079 26.322 4.777 81 HA CYS 15 HA CYS 15 3.831 24.664 2.562 82 HB2 CYS 15 HB2 CYS 15 5.505 25.989 3.837 83 HB3 CYS 15 HB3 CYS 15 5.151 25.035 5.271 84 H LYS 16 H LYS 16 2.243 24.279 5.595 85 HA LYS 16 HA LYS 16 2.650 21.417 5.721 86 HB2 LYS 16 HB2 LYS 16 0.654 23.032 7.314 87 HB3 LYS 16 HB3 LYS 16 1.316 21.453 7.711 88 HG2 LYS 16 HG2 LYS 16 2.853 24.040 7.650 89 HG3 LYS 16 HG3 LYS 16 2.263 23.224 9.094 90 HD2 LYS 16 HD2 LYS 16 3.784 21.425 8.814 91 HD3 LYS 16 HD3 LYS 16 4.150 21.896 7.152 92 HE2 LYS 16 HE2 LYS 16 5.972 22.561 8.571 93 HE3 LYS 16 HE3 LYS 16 5.104 23.986 7.982 94 HZ1 LYS 16 HZ1 LYS 16 4.707 22.753 10.657 95 HZ2 LYS 16 HZ2 LYS 16 3.991 24.176 10.094 96 HZ3 LYS 16 HZ3 LYS 16 5.655 24.118 10.363 97 H GLN 17 H GLN 17 0.952 23.268 3.717 98 HA GLN 17 HA GLN 17 -1.591 21.963 3.673 99 HB2 GLN 17 HB2 GLN 17 -0.144 23.740 1.724 100 HB3 GLN 17 HB3 GLN 17 -1.595 22.891 1.224 101 HG2 GLN 17 HG2 GLN 17 -2.814 23.994 3.092 102 HG3 GLN 17 HG3 GLN 17 -1.356 24.921 3.440 103 HE21 GLN 17 HE21 GLN 17 -2.438 26.877 3.010 104 HE22 GLN 17 HE22 GLN 17 -2.817 27.373 1.396 105 H THR 18 H THR 18 -2.175 20.989 1.362 106 HA THR 18 HA THR 18 -0.183 19.247 0.263 107 HB THR 18 HB THR 18 -2.447 17.938 1.820 108 HG1 THR 18 HG1 THR 18 -0.070 18.802 2.656 109 HG21 THR 18 HG21 THR 18 -1.802 16.699 -0.200 110 HG22 THR 18 HG22 THR 18 -1.301 15.836 1.255 111 HG23 THR 18 HG23 THR 18 -0.115 16.738 0.312 112 HA PRO 19 HA PRO 19 0.372 19.106 -1.656 113 HB2 PRO 19 HB2 PRO 19 0.504 20.744 -3.818 114 HB3 PRO 19 HB3 PRO 19 0.087 19.032 -3.936 115 HG2 PRO 19 HG2 PRO 19 -1.711 21.424 -3.923 116 HG3 PRO 19 HG3 PRO 19 -1.788 19.973 -4.940 117 HD2 PRO 19 HD2 PRO 19 -3.378 20.323 -2.777 118 HD3 PRO 19 HD3 PRO 19 -2.815 18.724 -3.298 119 H CYS 20 H CYS 20 2.079 20.773 -1.670 120 HA CYS 20 HA CYS 20 1.727 22.646 0.333 121 HB2 CYS 20 HB2 CYS 20 3.926 21.808 -0.333 122 HB3 CYS 20 HB3 CYS 20 3.796 22.668 -1.864 123 H GLY 21 H GLY 21 0.959 24.615 0.425 124 HA2 GLY 21 HA2 GLY 21 -0.315 25.630 -1.946 125 HA3 GLY 21 HA3 GLY 21 -0.496 26.234 -0.310 126 H CYS 22 H CYS 22 2.667 26.206 -0.352 127 HA CYS 22 HA CYS 22 2.980 28.983 -0.717 128 HB2 CYS 22 HB2 CYS 22 5.005 26.756 -0.696 129 HB3 CYS 22 HB3 CYS 22 5.464 28.446 -0.840 130 H ALA 23 H ALA 23 2.986 26.435 -3.023 131 HA ALA 23 HA ALA 23 4.526 27.742 -5.010 132 HB1 ALA 23 HB1 ALA 23 4.224 25.308 -4.964 133 HB2 ALA 23 HB2 ALA 23 3.746 26.002 -6.515 134 HB3 ALA 23 HB3 ALA 23 2.516 25.523 -5.345 135 H THR 24 H THR 24 1.185 27.962 -4.090 136 HA THR 24 HA THR 24 0.771 29.692 -6.436 137 HB THR 24 HB THR 24 -0.548 27.601 -6.614 138 HG1 THR 24 HG1 THR 24 -1.958 30.048 -6.260 139 HG21 THR 24 HG21 THR 24 -0.928 27.163 -4.240 140 HG22 THR 24 HG22 THR 24 -2.463 27.244 -5.106 141 HG23 THR 24 HG23 THR 24 -1.932 28.608 -4.122 142 H SER 25 H SER 25 0.665 29.431 -3.036 143 HA SER 25 HA SER 25 -0.980 31.825 -2.756 144 HB2 SER 25 HB2 SER 25 -1.522 29.958 -1.278 145 HB3 SER 25 HB3 SER 25 0.136 29.915 -0.689 146 HG SER 25 HG SER 25 -1.687 32.071 -0.396 147 H GLY 26 H GLY 26 2.310 30.748 -2.562 148 HA2 GLY 26 HA2 GLY 26 4.004 32.471 -2.807 149 HA3 GLY 26 HA3 GLY 26 3.074 33.448 -1.674 150 H CYS 27 H CYS 27 5.855 32.393 -1.633 151 HA CYS 27 HA CYS 27 5.766 30.613 0.681 152 HB2 CYS 27 HB2 CYS 27 7.206 29.908 -1.132 153 HB3 CYS 27 HB3 CYS 27 8.051 31.451 -1.102 154 H ASN 28 H ASN 28 6.960 31.038 2.572 155 HA ASN 28 HA ASN 28 8.192 33.620 2.995 156 HB2 ASN 28 HB2 ASN 28 5.725 34.046 3.308 157 HB3 ASN 28 HB3 ASN 28 5.735 32.877 4.620 158 HD21 ASN 28 HD21 ASN 28 6.498 33.478 6.603 159 HD22 ASN 28 HD22 ASN 28 6.978 35.093 6.997 160 H CYS 29 H CYS 29 8.569 30.560 3.207 161 HA CYS 29 HA CYS 29 8.915 29.963 5.968 162 HB2 CYS 29 HB2 CYS 29 9.980 28.609 3.499 163 HB3 CYS 29 HB3 CYS 29 10.143 27.975 5.132 164 H THR 30 H THR 30 10.958 29.291 6.911 165 HA THR 30 HA THR 30 13.062 31.206 6.346 166 HB THR 30 HB THR 30 14.060 30.345 8.460 167 HG1 THR 30 HG1 THR 30 13.271 28.626 9.412 168 HG21 THR 30 HG21 THR 30 12.536 32.253 8.541 169 HG22 THR 30 HG22 THR 30 12.340 31.243 9.974 170 HG23 THR 30 HG23 THR 30 11.157 31.161 8.669 171 H ASP 31 H ASP 31 15.372 30.152 6.713 172 HA ASP 31 HA ASP 31 15.735 28.404 4.519 173 HB2 ASP 31 HB2 ASP 31 17.419 30.073 5.265 174 HB3 ASP 31 HB3 ASP 31 17.750 29.063 6.670 175 H ASP 32 H ASP 32 14.805 27.695 7.682 176 HA ASP 32 HA ASP 32 16.106 25.208 8.076 177 HB2 ASP 32 HB2 ASP 32 13.415 26.052 9.168 178 HB3 ASP 32 HB3 ASP 32 14.508 24.852 9.844 179 H CYS 33 H CYS 33 13.454 26.297 6.191 180 HA CYS 33 HA CYS 33 11.865 24.034 5.919 181 HB2 CYS 33 HB2 CYS 33 11.149 26.166 5.063 182 HB3 CYS 33 HB3 CYS 33 12.527 26.251 3.975 183 H LYS 34 H LYS 34 12.009 22.185 4.735 184 HA LYS 34 HA LYS 34 14.344 21.875 2.980 185 HB2 LYS 34 HB2 LYS 34 13.184 19.732 4.771 186 HB3 LYS 34 HB3 LYS 34 14.626 19.603 3.772 187 HG2 LYS 34 HG2 LYS 34 15.749 21.262 5.146 188 HG3 LYS 34 HG3 LYS 34 14.295 21.453 6.123 189 HD2 LYS 34 HD2 LYS 34 14.464 19.056 6.743 190 HD3 LYS 34 HD3 LYS 34 15.988 18.972 5.858 191 HE2 LYS 34 HE2 LYS 34 16.841 20.808 7.299 192 HE3 LYS 34 HE3 LYS 34 15.367 20.684 8.252 193 HZ1 LYS 34 HZ1 LYS 34 17.445 18.596 7.913 194 HZ2 LYS 34 HZ2 LYS 34 15.952 18.311 8.644 195 HZ3 LYS 34 HZ3 LYS 34 17.032 19.412 9.335 196 H CYS 35 H CYS 35 11.343 22.450 2.612 197 HA CYS 35 HA CYS 35 10.318 20.071 1.371 198 HB2 CYS 35 HB2 CYS 35 8.774 21.619 2.459 199 HB3 CYS 35 HB3 CYS 35 9.247 22.897 1.344 200 H GLN 36 H GLN 36 10.145 19.599 -0.748 201 HA GLN 36 HA GLN 36 11.776 21.254 -2.524 202 HB2 GLN 36 HB2 GLN 36 10.838 18.404 -2.840 203 HB3 GLN 36 HB3 GLN 36 11.862 19.268 -3.979 204 HG2 GLN 36 HG2 GLN 36 13.555 19.524 -2.190 205 HG3 GLN 36 HG3 GLN 36 12.540 18.537 -1.139 206 HE21 GLN 36 HE21 GLN 36 12.323 16.354 -1.577 207 HE22 GLN 36 HE22 GLN 36 13.403 15.509 -2.637 208 H SER 37 H SER 37 8.746 21.329 -1.682 209 HA SER 37 HA SER 37 7.619 21.360 -4.379 210 HB2 SER 37 HB2 SER 37 6.217 21.465 -1.703 211 HB3 SER 37 HB3 SER 37 5.425 21.398 -3.278 212 HG SER 37 HG SER 37 5.906 19.346 -3.460 213 H CYS 38 H CYS 38 8.252 23.508 -1.599 214 HA CYS 38 HA CYS 38 6.904 25.661 -3.049 215 HB2 CYS 38 HB2 CYS 38 7.106 26.971 -1.030 216 HB3 CYS 38 HB3 CYS 38 6.444 25.391 -0.631 217 H LYS 39 H LYS 39 9.910 24.322 -2.617 218 HA LYS 39 HA LYS 39 11.367 26.765 -3.144 219 HB2 LYS 39 HB2 LYS 39 12.171 23.957 -2.489 220 HB3 LYS 39 HB3 LYS 39 13.336 25.192 -2.964 221 HG2 LYS 39 HG2 LYS 39 12.729 26.556 -1.090 222 HG3 LYS 39 HG3 LYS 39 11.426 25.445 -0.660 223 HD2 LYS 39 HD2 LYS 39 12.887 23.789 -0.025 224 HD3 LYS 39 HD3 LYS 39 14.257 24.540 -0.852 225 HE2 LYS 39 HE2 LYS 39 13.844 26.501 0.790 226 HE3 LYS 39 HE3 LYS 39 12.937 25.306 1.719 227 HZ1 LYS 39 HZ1 LYS 39 15.306 25.540 2.379 228 HZ2 LYS 39 HZ2 LYS 39 15.755 24.930 0.873 229 HZ3 LYS 39 HZ3 LYS 39 14.874 23.969 1.943 230 H TYR 40 H TYR 40 9.540 25.663 -5.094 231 HA TYR 40 HA TYR 40 10.931 24.365 -7.182 232 HB2 TYR 40 HB2 TYR 40 8.988 24.908 -8.577 233 HB3 TYR 40 HB3 TYR 40 8.472 24.301 -7.011 234 HD1 TYR 40 HD1 TYR 40 7.983 26.818 -9.426 235 HD2 TYR 40 HD2 TYR 40 7.931 26.183 -5.219 236 HE1 TYR 40 HE1 TYR 40 6.549 28.798 -9.145 237 HE2 TYR 40 HE2 TYR 40 6.509 28.156 -4.930 238 HH TYR 40 HH TYR 40 4.889 29.645 -7.464 239 H GLY 41 H GLY 41 11.053 25.460 -9.422 240 HA2 GLY 41 HA2 GLY 41 11.636 27.402 -10.675 241 HA3 GLY 41 HA3 GLY 41 12.054 28.210 -9.166 242 H ALA 42 H ALA 42 13.660 26.430 -7.943 243 HA ALA 42 HA ALA 42 16.066 26.542 -9.559 244 HB1 ALA 42 HB1 ALA 42 16.152 27.211 -7.199 245 HB2 ALA 42 HB2 ALA 42 17.202 25.827 -7.503 246 HB3 ALA 42 HB3 ALA 42 15.641 25.592 -6.719 247 H GLY 43 H GLY 43 13.689 24.642 -9.829 248 HA2 GLY 43 HA2 GLY 43 15.247 22.295 -10.487 249 HA3 GLY 43 HA3 GLY 43 14.048 22.084 -9.229 250 H CYS 44 H CYS 44 13.039 24.403 -11.481 251 HA CYS 44 HA CYS 44 11.638 22.401 -13.068 252 HB2 CYS 44 HB2 CYS 44 10.342 24.176 -11.076 253 HB3 CYS 44 HB3 CYS 44 9.517 23.961 -12.613 254 H THR 45 H THR 45 9.963 23.678 -14.462 255 HA THR 45 HA THR 45 10.975 26.206 -15.420 256 HB THR 45 HB THR 45 12.197 24.543 -16.792 257 HG1 THR 45 HG1 THR 45 11.875 25.957 -18.326 258 HG21 THR 45 HG21 THR 45 10.639 22.672 -16.597 259 HG22 THR 45 HG22 THR 45 10.954 23.039 -18.293 260 HG23 THR 45 HG23 THR 45 9.443 23.557 -17.543 261 H ASP 46 H ASP 46 9.425 26.982 -17.150 262 HA ASP 46 HA ASP 46 6.777 26.898 -16.104 263 HB2 ASP 46 HB2 ASP 46 6.186 28.379 -17.941 264 HB3 ASP 46 HB3 ASP 46 7.730 28.883 -17.261 265 H THR 47 H THR 47 8.485 25.052 -18.399 266 HA THR 47 HA THR 47 6.245 24.151 -19.922 267 HB THR 47 HB THR 47 8.940 22.813 -19.791 268 HG1 THR 47 HG1 THR 47 8.247 25.375 -20.648 269 HG21 THR 47 HG21 THR 47 8.489 22.448 -22.187 270 HG22 THR 47 HG22 THR 47 6.937 23.270 -22.011 271 HG23 THR 47 HG23 THR 47 7.229 21.745 -21.174 272 H CYS 48 H CYS 48 7.612 23.222 -16.899 273 HA CYS 48 HA CYS 48 6.640 20.489 -17.064 274 HB2 CYS 48 HB2 CYS 48 8.759 20.929 -15.905 275 HB3 CYS 48 HB3 CYS 48 7.929 21.980 -14.764 276 H LYS 49 H LYS 49 5.743 23.529 -15.560 277 HA LYS 49 HA LYS 49 3.685 22.384 -13.903 278 HB2 LYS 49 HB2 LYS 49 3.171 24.700 -13.336 279 HB3 LYS 49 HB3 LYS 49 4.894 24.373 -13.200 280 HG2 LYS 49 HG2 LYS 49 5.261 25.423 -15.382 281 HG3 LYS 49 HG3 LYS 49 3.536 25.769 -15.496 282 HD2 LYS 49 HD2 LYS 49 5.339 26.765 -13.303 283 HD3 LYS 49 HD3 LYS 49 4.912 27.694 -14.742 284 HE2 LYS 49 HE2 LYS 49 2.927 26.608 -12.741 285 HE3 LYS 49 HE3 LYS 49 3.534 28.261 -12.754 286 HZ1 LYS 49 HZ1 LYS 49 2.017 26.980 -14.965 287 HZ2 LYS 49 HZ2 LYS 49 2.568 28.575 -14.931 288 HZ3 LYS 49 HZ3 LYS 49 1.383 28.071 -13.842 289 H GLN 50 H GLN 50 3.720 22.594 -17.101 290 HA GLN 50 HA GLN 50 1.464 24.092 -17.825 291 HB2 GLN 50 HB2 GLN 50 2.548 21.649 -19.191 292 HB3 GLN 50 HB3 GLN 50 1.501 22.868 -19.913 293 HG2 GLN 50 HG2 GLN 50 3.368 24.517 -19.256 294 HG3 GLN 50 HG3 GLN 50 4.363 23.078 -19.108 295 HE21 GLN 50 HE21 GLN 50 4.621 25.263 -20.939 296 HE22 GLN 50 HE22 GLN 50 4.511 24.585 -22.522 297 H THR 51 H THR 51 1.779 20.812 -16.672 298 HA THR 51 HA THR 51 0.279 19.394 -15.735 299 HB THR 51 HB THR 51 -1.875 21.466 -16.236 300 HG1 THR 51 HG1 THR 51 -0.070 22.231 -14.944 301 HG21 THR 51 HG21 THR 51 -1.690 19.176 -14.265 302 HG22 THR 51 HG22 THR 51 -2.705 19.211 -15.706 303 HG23 THR 51 HG23 THR 51 -3.018 20.331 -14.380 304 HA PRO 52 HA PRO 52 0.083 17.413 -15.784 305 HB2 PRO 52 HB2 PRO 52 1.262 15.612 -17.789 306 HB3 PRO 52 HB3 PRO 52 0.198 15.227 -16.433 307 HG2 PRO 52 HG2 PRO 52 -0.653 15.090 -18.982 308 HG3 PRO 52 HG3 PRO 52 -1.722 15.596 -17.661 309 HD2 PRO 52 HD2 PRO 52 -0.269 17.278 -19.671 310 HD3 PRO 52 HD3 PRO 52 -1.944 17.419 -19.094 311 H CYS 53 H CYS 53 1.878 17.491 -18.859 312 HA CYS 53 HA CYS 53 3.908 19.198 -17.813 313 HB2 CYS 53 HB2 CYS 53 4.452 16.973 -16.813 314 HB3 CYS 53 HB3 CYS 53 4.648 16.342 -18.441 315 H GLY 54 H GLY 54 4.932 20.223 -19.496 316 HA2 GLY 54 HA2 GLY 54 4.308 19.191 -22.179 317 HA3 GLY 54 HA3 GLY 54 4.644 20.870 -21.788 318 H CYS 55 H CYS 55 6.826 19.080 -20.047 319 HA CYS 55 HA CYS 55 8.983 19.861 -21.698 320 HB2 CYS 55 HB2 CYS 55 8.787 18.122 -19.258 321 HB3 CYS 55 HB3 CYS 55 10.318 18.418 -20.070 322 H GLY 56 H GLY 56 8.350 16.557 -20.550 323 HA2 GLY 56 HA2 GLY 56 8.651 14.514 -21.566 324 HA3 GLY 56 HA3 GLY 56 8.182 15.315 -23.059 325 H SER 57 H SER 57 9.662 15.522 -24.605 326 HA SER 57 HA SER 57 12.410 14.747 -24.009 327 HB2 SER 57 HB2 SER 57 11.103 15.285 -26.685 328 HB3 SER 57 HB3 SER 57 12.678 14.535 -26.419 329 HG SER 57 HG SER 57 10.184 13.441 -26.326 330 H GLY 58 H GLY 58 10.605 17.498 -24.170 331 HA2 GLY 58 HA2 GLY 58 12.934 19.159 -24.916 332 HA3 GLY 58 HA3 GLY 58 11.264 19.638 -25.209 333 H CYS 59 H CYS 59 13.384 18.616 -22.609 334 HA CYS 59 HA CYS 59 11.744 19.998 -20.668 335 HB2 CYS 59 HB2 CYS 59 12.374 17.856 -19.989 336 HB3 CYS 59 HB3 CYS 59 14.043 18.077 -20.507 337 H ASN 60 H ASN 60 12.381 21.710 -19.457 338 HA ASN 60 HA ASN 60 15.014 22.885 -20.005 339 HB2 ASN 60 HB2 ASN 60 12.362 24.331 -20.140 340 HB3 ASN 60 HB3 ASN 60 13.911 25.157 -20.031 341 HD21 ASN 60 HD21 ASN 60 15.356 25.021 -21.777 342 HD22 ASN 60 HD22 ASN 60 14.806 24.605 -23.360 343 H CYS 61 H CYS 61 13.851 21.376 -17.746 344 HA CYS 61 HA CYS 61 13.429 23.265 -15.637 345 HB2 CYS 61 HB2 CYS 61 13.827 20.288 -15.720 346 HB3 CYS 61 HB3 CYS 61 13.803 21.155 -14.189 347 H LYS 62 H LYS 62 14.877 22.564 -13.542 348 HA LYS 62 HA LYS 62 17.561 23.418 -14.326 349 HB2 LYS 62 HB2 LYS 62 16.310 23.303 -11.577 350 HB3 LYS 62 HB3 LYS 62 17.868 23.999 -11.963 351 HG2 LYS 62 HG2 LYS 62 15.817 25.196 -13.576 352 HG3 LYS 62 HG3 LYS 62 15.393 25.293 -11.866 353 HD2 LYS 62 HD2 LYS 62 16.647 27.261 -12.433 354 HD3 LYS 62 HD3 LYS 62 17.675 26.231 -11.435 355 HE2 LYS 62 HE2 LYS 62 19.002 27.048 -13.225 356 HE3 LYS 62 HE3 LYS 62 18.666 25.343 -13.522 357 HZ1 LYS 62 HZ1 LYS 62 18.401 26.639 -15.540 358 HZ2 LYS 62 HZ2 LYS 62 17.258 27.626 -14.789 359 HZ3 LYS 62 HZ3 LYS 62 16.914 25.999 -15.063 360 H GLU 63 H GLU 63 16.485 21.474 -11.568 361 HA GLU 63 HA GLU 63 17.625 19.047 -12.453 362 HB2 GLU 63 HB2 GLU 63 19.641 20.612 -11.889 363 HB3 GLU 63 HB3 GLU 63 19.210 20.278 -10.219 364 HG2 GLU 63 HG2 GLU 63 19.546 17.913 -10.566 365 HG3 GLU 63 HG3 GLU 63 19.868 18.186 -12.278 366 H ASP 64 H ASP 64 16.675 21.067 -9.737 367 HA ASP 64 HA ASP 64 16.038 18.901 -7.983 368 HB2 ASP 64 HB2 ASP 64 15.719 21.879 -7.936 369 HB3 ASP 64 HB3 ASP 64 14.908 20.901 -6.734 370 H CYS 65 H CYS 65 14.709 18.369 -10.275 371 HA CYS 65 HA CYS 65 11.952 19.285 -9.953 372 HB2 CYS 65 HB2 CYS 65 12.904 19.261 -12.232 373 HB3 CYS 65 HB3 CYS 65 13.173 17.526 -12.097 374 H ARG 66 H ARG 66 10.239 17.924 -9.530 375 HA ARG 66 HA ARG 66 10.967 15.329 -8.346 376 HB2 ARG 66 HB2 ARG 66 8.706 17.228 -7.819 377 HB3 ARG 66 HB3 ARG 66 8.670 15.560 -7.274 378 HG2 ARG 66 HG2 ARG 66 10.724 15.962 -6.005 379 HG3 ARG 66 HG3 ARG 66 10.664 17.661 -6.494 380 HD2 ARG 66 HD2 ARG 66 9.150 18.121 -4.938 381 HD3 ARG 66 HD3 ARG 66 8.129 16.785 -5.466 382 HE ARG 66 HE ARG 66 10.257 15.721 -4.003 383 HH11 ARG 66 HH11 ARG 66 7.437 17.728 -3.483 384 HH12 ARG 66 HH12 ARG 66 7.232 17.236 -1.841 385 HH21 ARG 66 HH21 ARG 66 9.964 15.036 -1.836 386 HH22 ARG 66 HH22 ARG 66 8.664 15.699 -0.898 387 H CYS 67 H CYS 67 10.191 16.187 -11.203 388 HA CYS 67 HA CYS 67 7.859 14.465 -11.506 389 HB2 CYS 67 HB2 CYS 67 7.773 16.702 -12.515 390 HB3 CYS 67 HB3 CYS 67 9.159 16.280 -13.518 391 H GLN 68 H GLN 68 7.820 12.906 -13.254 392 HA GLN 68 HA GLN 68 10.494 11.740 -13.756 393 HB2 GLN 68 HB2 GLN 68 8.037 10.066 -13.885 394 HB3 GLN 68 HB3 GLN 68 9.664 9.636 -13.372 395 HG2 GLN 68 HG2 GLN 68 7.671 11.243 -11.826 396 HG3 GLN 68 HG3 GLN 68 8.143 9.571 -11.511 397 HE21 GLN 68 HE21 GLN 68 8.327 11.978 -9.852 398 HE22 GLN 68 HE22 GLN 68 9.995 12.107 -9.411 399 H SER 69 H SER 69 7.968 13.298 -15.167 400 HA SER 69 HA SER 69 7.695 11.715 -17.540 401 HB2 SER 69 HB2 SER 69 5.873 13.166 -16.541 402 HB3 SER 69 HB3 SER 69 6.781 14.566 -17.107 403 HG SER 69 HG SER 69 5.127 12.935 -18.466 404 H CYS 70 H CYS 70 9.587 14.441 -16.482 405 HA CYS 70 HA CYS 70 10.725 14.566 -19.161 406 HB2 CYS 70 HB2 CYS 70 11.336 16.904 -18.633 407 HB3 CYS 70 HB3 CYS 70 9.611 16.581 -18.609 408 H SER 71 H SER 71 11.413 14.084 -15.811 409 HA SER 71 HA SER 71 14.179 14.598 -15.872 410 HB2 SER 71 HB2 SER 71 12.576 12.804 -14.055 411 HB3 SER 71 HB3 SER 71 14.252 13.285 -13.782 412 HG SER 71 HG SER 71 12.058 14.591 -13.126 413 H THR 72 H THR 72 15.919 13.115 -15.770 414 HA THR 72 HA THR 72 15.800 11.140 -17.809 415 HB THR 72 HB THR 72 17.812 12.572 -17.350 416 HG1 THR 72 HG1 THR 72 18.820 11.060 -18.365 417 HG21 THR 72 HG21 THR 72 17.800 12.457 -14.904 418 HG22 THR 72 HG22 THR 72 19.344 11.898 -15.550 419 HG23 THR 72 HG23 THR 72 18.153 10.730 -14.977 420 H ALA 73 H ALA 73 16.674 8.960 -17.502 421 HA ALA 73 HA ALA 73 15.046 7.506 -15.744 422 HB1 ALA 73 HB1 ALA 73 15.809 6.616 -17.883 423 HB2 ALA 73 HB2 ALA 73 16.262 5.547 -16.555 424 HB3 ALA 73 HB3 ALA 73 17.469 6.600 -17.291 425 H CYS 74 H CYS 74 15.284 7.321 -13.648 426 HA CYS 74 HA CYS 74 17.501 7.908 -12.082 427 HB2 CYS 74 HB2 CYS 74 14.931 7.215 -11.530 428 HB3 CYS 74 HB3 CYS 74 15.732 5.702 -11.147 429 H LYS 75 H LYS 75 19.058 6.559 -11.061 430 HA LYS 75 HA LYS 75 20.058 4.495 -12.820 431 HB2 LYS 75 HB2 LYS 75 21.140 5.939 -10.428 432 HB3 LYS 75 HB3 LYS 75 21.951 4.510 -11.054 433 HG2 LYS 75 HG2 LYS 75 21.307 6.887 -12.765 434 HG3 LYS 75 HG3 LYS 75 22.812 6.741 -11.855 435 HD2 LYS 75 HD2 LYS 75 23.349 4.690 -13.027 436 HD3 LYS 75 HD3 LYS 75 21.812 4.748 -13.886 437 HE2 LYS 75 HE2 LYS 75 23.671 5.544 -15.277 438 HE3 LYS 75 HE3 LYS 75 22.478 6.807 -14.985 439 HZ1 LYS 75 HZ1 LYS 75 24.768 7.600 -14.761 440 HZ2 LYS 75 HZ2 LYS 75 25.032 6.510 -13.499 441 HZ3 LYS 75 HZ3 LYS 75 23.908 7.758 -13.318 442 H CYS 76 H CYS 76 17.707 3.722 -11.605 443 HA CYS 76 HA CYS 76 18.643 1.598 -9.802 444 HB2 CYS 76 HB2 CYS 76 15.944 2.915 -9.650 445 HB3 CYS 76 HB3 CYS 76 16.687 1.824 -8.483 446 H ALA 77 H ALA 77 17.815 -0.431 -10.158 447 HA ALA 77 HA ALA 77 15.527 -0.992 -11.728 448 HB1 ALA 77 HB1 ALA 77 16.637 -2.005 -13.667 449 HB2 ALA 77 HB2 ALA 77 18.197 -1.448 -13.055 450 HB3 ALA 77 HB3 ALA 77 16.978 -0.277 -13.560 451 H ALA 78 H ALA 78 14.823 -2.976 -11.233 452 HA ALA 78 HA ALA 78 14.691 -5.018 -10.237 453 HB1 ALA 78 HB1 ALA 78 17.390 -5.380 -11.532 454 HB2 ALA 78 HB2 ALA 78 15.828 -5.613 -12.317 455 HB3 ALA 78 HB3 ALA 78 16.317 -6.669 -10.992 456 H GLY 79 H GLY 79 15.200 -3.416 -8.258 457 HA2 GLY 79 HA2 GLY 79 15.795 -3.711 -6.012 458 HA3 GLY 79 HA3 GLY 79 16.812 -5.056 -6.491 459 H SER 80 H SER 80 17.712 -2.608 -8.483 460 HA SER 80 HA SER 80 20.087 -2.125 -6.930 461 HB2 SER 80 HB2 SER 80 19.321 -1.267 -9.718 462 HB3 SER 80 HB3 SER 80 20.911 -1.090 -9.003 463 HG SER 80 HG SER 80 19.656 -3.323 -10.021 464 H CYS 81 H CYS 81 17.527 -0.861 -6.078 465 HA CYS 81 HA CYS 81 17.655 1.922 -6.628 466 HB2 CYS 81 HB2 CYS 81 15.615 0.806 -5.876 467 HB3 CYS 81 HB3 CYS 81 16.385 0.395 -4.353 468 H LYS 82 H LYS 82 18.806 3.506 -5.595 469 HA LYS 82 HA LYS 82 20.415 2.697 -3.270 470 HB2 LYS 82 HB2 LYS 82 22.388 3.728 -4.294 471 HB3 LYS 82 HB3 LYS 82 21.795 2.325 -5.173 472 HG2 LYS 82 HG2 LYS 82 20.564 3.997 -6.654 473 HG3 LYS 82 HG3 LYS 82 21.611 5.217 -5.922 474 HD2 LYS 82 HD2 LYS 82 23.532 3.702 -6.534 475 HD3 LYS 82 HD3 LYS 82 22.380 2.816 -7.529 476 HE2 LYS 82 HE2 LYS 82 23.587 4.428 -8.877 477 HE3 LYS 82 HE3 LYS 82 21.884 4.875 -8.764 478 HZ1 LYS 82 HZ1 LYS 82 23.420 6.763 -8.466 479 HZ2 LYS 82 HZ2 LYS 82 24.025 6.032 -7.068 480 HZ3 LYS 82 HZ3 LYS 82 22.409 6.510 -7.141 481 H CYS 83 H CYS 83 18.110 4.633 -3.902 482 HA CYS 83 HA CYS 83 19.383 7.043 -2.783 483 HB2 CYS 83 HB2 CYS 83 17.204 8.122 -3.675 484 HB3 CYS 83 HB3 CYS 83 18.492 7.727 -4.789 485 H GLY 84 H GLY 84 17.327 4.484 -2.080 486 HA2 GLY 84 HA2 GLY 84 16.412 4.035 0.024 487 HA3 GLY 84 HA3 GLY 84 16.601 5.735 0.443 488 H LYS 85 H LYS 85 15.264 5.296 -2.592 489 HA LYS 85 HA LYS 85 12.700 6.224 -1.627 490 HB2 LYS 85 HB2 LYS 85 13.661 5.768 -4.457 491 HB3 LYS 85 HB3 LYS 85 12.175 6.581 -3.992 492 HG2 LYS 85 HG2 LYS 85 14.971 7.545 -3.381 493 HG3 LYS 85 HG3 LYS 85 13.916 8.166 -4.649 494 HD2 LYS 85 HD2 LYS 85 13.189 9.654 -3.141 495 HD3 LYS 85 HD3 LYS 85 12.371 8.300 -2.357 496 HE2 LYS 85 HE2 LYS 85 13.647 9.461 -0.705 497 HE3 LYS 85 HE3 LYS 85 14.429 7.913 -1.021 498 HZ1 LYS 85 HZ1 LYS 85 16.063 9.634 -0.907 499 HZ2 LYS 85 HZ2 LYS 85 15.260 10.562 -2.062 500 HZ3 LYS 85 HZ3 LYS 85 15.971 9.094 -2.505 501 H GLY 86 H GLY 86 14.157 3.353 -2.956 502 HA2 GLY 86 HA2 GLY 86 13.376 1.197 -3.053 503 HA3 GLY 86 HA3 GLY 86 11.969 1.722 -2.136 504 H CYS 87 H CYS 87 13.184 2.747 -5.299 505 HA CYS 87 HA CYS 87 10.509 2.161 -6.366 506 HB2 CYS 87 HB2 CYS 87 11.202 3.770 -8.178 507 HB3 CYS 87 HB3 CYS 87 10.975 4.457 -6.574 508 H THR 88 H THR 88 13.936 1.859 -7.039 509 HA THR 88 HA THR 88 15.162 0.479 -8.325 510 HB THR 88 HB THR 88 14.387 -1.865 -8.598 511 HG1 THR 88 HG1 THR 88 11.964 -0.797 -8.271 512 HG21 THR 88 HG21 THR 88 15.518 -1.223 -6.570 513 HG22 THR 88 HG22 THR 88 14.231 -2.370 -6.190 514 HG23 THR 88 HG23 THR 88 14.002 -0.652 -5.869 515 H GLY 89 H GLY 89 13.543 2.362 -9.819 516 HA2 GLY 89 HA2 GLY 89 14.120 1.633 -12.395 517 HA3 GLY 89 HA3 GLY 89 12.499 1.009 -12.124 518 HA PRO 90 HA PRO 90 12.793 5.829 -12.713 519 HB2 PRO 90 HB2 PRO 90 12.823 6.119 -15.426 520 HB3 PRO 90 HB3 PRO 90 14.287 6.081 -14.440 521 HG2 PRO 90 HG2 PRO 90 13.016 3.870 -16.013 522 HG3 PRO 90 HG3 PRO 90 14.724 4.334 -15.930 523 HD2 PRO 90 HD2 PRO 90 13.757 2.262 -14.528 524 HD3 PRO 90 HD3 PRO 90 15.023 3.315 -13.863 525 H ASP 91 H ASP 91 11.005 3.223 -14.026 526 HA ASP 91 HA ASP 91 8.774 4.944 -14.818 527 HB2 ASP 91 HB2 ASP 91 9.214 1.977 -15.119 528 HB3 ASP 91 HB3 ASP 91 7.744 2.803 -15.606 529 H SER 92 H SER 92 9.866 3.426 -12.088 530 HA SER 92 HA SER 92 7.137 3.019 -11.064 531 HB2 SER 92 HB2 SER 92 9.695 1.770 -10.045 532 HB3 SER 92 HB3 SER 92 8.053 1.395 -9.520 533 HG SER 92 HG SER 92 7.621 0.584 -11.577 534 H CYS 93 H CYS 93 9.890 4.957 -10.842 535 HA CYS 93 HA CYS 93 9.553 5.588 -8.037 536 HB2 CYS 93 HB2 CYS 93 11.534 6.859 -8.236 537 HB3 CYS 93 HB3 CYS 93 11.790 5.413 -9.210 538 H LYS 94 H LYS 94 9.350 7.769 -7.342 539 HA LYS 94 HA LYS 94 8.226 9.710 -9.176 540 HB2 LYS 94 HB2 LYS 94 6.738 8.529 -6.823 541 HB3 LYS 94 HB3 LYS 94 6.334 10.107 -7.482 542 HG2 LYS 94 HG2 LYS 94 5.665 9.189 -9.557 543 HG3 LYS 94 HG3 LYS 94 6.405 7.633 -9.185 544 HD2 LYS 94 HD2 LYS 94 4.092 8.785 -7.634 545 HD3 LYS 94 HD3 LYS 94 3.893 7.713 -9.022 546 HE2 LYS 94 HE2 LYS 94 5.424 7.040 -6.509 547 HE3 LYS 94 HE3 LYS 94 3.781 6.519 -6.866 548 HZ1 LYS 94 HZ1 LYS 94 6.211 5.809 -8.429 549 HZ2 LYS 94 HZ2 LYS 94 4.639 5.361 -8.828 550 HZ3 LYS 94 HZ3 LYS 94 5.340 4.785 -7.405 551 H CYS 95 H CYS 95 10.701 9.567 -7.928 552 HA CYS 95 HA CYS 95 10.552 11.370 -5.631 553 HB2 CYS 95 HB2 CYS 95 12.916 10.769 -5.254 554 HB3 CYS 95 HB3 CYS 95 11.874 9.354 -5.291 555 H ASP 96 H ASP 96 13.131 12.458 -5.857 556 HA ASP 96 HA ASP 96 12.719 14.327 -8.077 557 HB2 ASP 96 HB2 ASP 96 14.098 15.901 -6.707 558 HB3 ASP 96 HB3 ASP 96 12.576 15.441 -5.957 559 H ARG 97 H ARG 97 14.858 15.464 -8.652 560 HA ARG 97 HA ARG 97 16.714 13.349 -9.488 561 HB2 ARG 97 HB2 ARG 97 16.915 16.200 -10.334 562 HB3 ARG 97 HB3 ARG 97 17.385 14.751 -11.214 563 HG2 ARG 97 HG2 ARG 97 15.027 14.210 -11.569 564 HG3 ARG 97 HG3 ARG 97 14.593 15.658 -10.646 565 HD2 ARG 97 HD2 ARG 97 14.452 16.011 -13.065 566 HD3 ARG 97 HD3 ARG 97 15.601 17.081 -12.271 567 HE ARG 97 HE ARG 97 17.228 15.175 -13.101 568 HH11 ARG 97 HH11 ARG 97 14.549 16.691 -14.793 569 HH12 ARG 97 HH12 ARG 97 15.288 16.587 -16.349 570 HH21 ARG 97 HH21 ARG 97 18.224 15.017 -15.200 571 HH22 ARG 97 HH22 ARG 97 17.375 15.609 -16.585 572 H SER 98 H SER 98 16.489 15.054 -6.862 573 HA SER 98 HA SER 98 19.316 15.801 -6.782 574 HB2 SER 98 HB2 SER 98 16.942 16.836 -5.250 575 HB3 SER 98 HB3 SER 98 18.615 17.270 -4.871 576 HG SER 98 HG SER 98 17.445 18.749 -6.266 577 H CYS 99 H CYS 99 17.573 13.223 -6.163 578 HA CYS 99 HA CYS 99 17.921 12.669 -3.487 579 HB2 CYS 99 HB2 CYS 99 17.528 10.369 -4.131 580 HB3 CYS 99 HB3 CYS 99 16.416 11.415 -4.975 581 H SER 100 H SER 100 19.437 11.122 -2.552 582 HA SER 100 HA SER 100 22.117 11.858 -3.126 583 HB2 SER 100 HB2 SER 100 21.040 9.690 -1.318 584 HB3 SER 100 HB3 SER 100 22.685 10.329 -1.291 585 HG SER 100 HG SER 100 21.196 12.437 -1.141 586 H CYS 101 H CYS 101 20.486 10.294 -5.120 587 HA CYS 101 HA CYS 101 22.318 8.076 -5.598 588 HB2 CYS 101 HB2 CYS 101 20.220 7.167 -5.427 589 HB3 CYS 101 HB3 CYS 101 19.450 8.580 -6.157 590 H LYS 102 H LYS 102 20.699 10.876 -7.092 591 HA LYS 102 HA LYS 102 21.638 10.453 -9.723 592 HB2 LYS 102 HB2 LYS 102 20.866 12.998 -8.296 593 HB3 LYS 102 HB3 LYS 102 21.306 12.953 -9.996 594 HG2 LYS 102 HG2 LYS 102 19.083 11.292 -8.855 595 HG3 LYS 102 HG3 LYS 102 18.842 12.933 -9.451 596 HD2 LYS 102 HD2 LYS 102 18.737 12.195 -11.565 597 HD3 LYS 102 HD3 LYS 102 20.292 11.374 -11.399 598 HE2 LYS 102 HE2 LYS 102 18.332 9.884 -11.979 599 HE3 LYS 102 HE3 LYS 102 19.264 9.396 -10.565 600 HZ1 LYS 102 HZ1 LYS 102 16.943 9.195 -10.061 601 HZ2 LYS 102 HZ2 LYS 102 16.609 10.762 -10.566 602 HZ3 LYS 102 HZ3 LYS 102 17.530 10.503 -9.172
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